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PubMed code 20329799

Compile data set for download or QSAR
Found 176 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315675
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyridin-2-yl)py...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1ccccn1
Show InChI InChI=1/C29H31F2N3O2/c1-19-15-34(16-20(2)29(19,36)21-8-4-3-5-9-21)28(35)25-18-33(27-10-6-7-13-32-27)17-24(25)23-12-11-22(30)14-26(23)31/h3-14,19-20,24-25,36H,15-18H2,1-2H3/t19-,20+,24-,25+,29-/s2
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4.70n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in CHO cells by patch clamp method


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315688
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1c(F)cccc1F)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H34F4N2O2/c1-16-12-33(13-17(2)28(16,36)25-22(30)7-6-8-23(25)31)26(35)21-15-34(27(3,4)5)14-20(21)19-10-9-18(29)11-24(19)32/h6-11,16-17,20-21,36H,12-15H2,1-5H3/t16-,17+,20-,21+,28-/s2
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5n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in CHO cells by patch clamp method


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315674
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyridin-3-yl)py...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnc1
Show InChI InChI=1/C29H31F2N3O2/c1-19-15-34(16-20(2)29(19,36)21-7-4-3-5-8-21)28(35)26-18-33(23-9-6-12-32-14-23)17-25(26)24-11-10-22(30)13-27(24)31/h3-14,19-20,25-26,36H,15-18H2,1-2H3/t19-,20+,25-,26+,29-/s2
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5.10n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in CHO cells by patch clamp method


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315676
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(tetrahydro-2H-p...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)C1CCOCC1
Show InChI InChI=1/C29H36F2N2O3/c1-19-15-33(16-20(2)29(19,35)21-6-4-3-5-7-21)28(34)26-18-32(23-10-12-36-13-11-23)17-25(26)24-9-8-22(30)14-27(24)31/h3-9,14,19-20,23,25-26,35H,10-13,15-18H2,1-2H3/t19-,20+,25-,26+,29-/s2
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>5.30n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in CHO cells by patch clamp method


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315686
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccn1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C27H35F2N3O2/c1-17-13-31(14-18(2)27(17,34)24-8-6-7-11-30-24)25(33)22-16-32(26(3,4)5)15-21(22)20-10-9-19(28)12-23(20)29/h6-12,17-18,21-22,34H,13-16H2,1-5H3/t17-,18+,21-,22+,27-/s2
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5.80n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in CHO cells by patch clamp method


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315677
PNG
(((3R,4S)-1-cyclobutyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)C1CCC1
Show InChI InChI=1/C28H34F2N2O2/c1-18-14-32(15-19(2)28(18,34)20-7-4-3-5-8-20)27(33)25-17-31(22-9-6-10-22)16-24(25)23-12-11-21(29)13-26(23)30/h3-5,7-8,11-13,18-19,22,24-25,34H,6,9-10,14-17H2,1-2H3/t18-,19+,24-,25+,28-/s2
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5.90n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in CHO cells by patch clamp method


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315680
PNG
(((3S,4R)-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@@H]1CNC[C@H]1c1ccc(F)cc1F
Show InChI InChI=1/C24H28F2N2O2/c1-15-13-28(14-16(2)24(15,30)17-6-4-3-5-7-17)23(29)21-12-27-11-20(21)19-9-8-18(25)10-22(19)26/h3-10,15-16,20-21,27,30H,11-14H2,1-2H3/t15-,16+,20-,21+,24-/s2
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6.70n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in CHO cells by patch clamp method


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315681
PNG
(((3S,4R)-4-(2,4-difluorophenyl)-1-isopropylpyrroli...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1ccccc1
Show InChI InChI=1/C27H34F2N2O2/c1-17(2)30-15-23(22-11-10-21(28)12-25(22)29)24(16-30)26(32)31-13-18(3)27(33,19(4)14-31)20-8-6-5-7-9-20/h5-12,17-19,23-24,33H,13-16H2,1-4H3/t18-,19+,23-,24+,27-/s2
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>7.90n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in CHO cells by patch clamp method


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50378743
PNG
(CHEMBL1204061)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(F)cc1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H35F3N2O2/c1-17-13-32(14-18(2)28(17,35)19-6-8-20(29)9-7-19)26(34)24-16-33(27(3,4)5)15-23(24)22-11-10-21(30)12-25(22)31/h6-12,17-18,23-24,35H,13-16H2,1-5H3/t17-,18+,23-,24+,28-/s2
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7.90n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in CHO cells by patch clamp method


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315679
PNG
(((3R,4S)-1-cyclopropyl-4-(2,4-difluorophenyl)pyrro...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)C1CC1
Show InChI InChI=1/C27H32F2N2O2/c1-17-13-31(14-18(2)27(17,33)19-6-4-3-5-7-19)26(32)24-16-30(21-9-10-21)15-23(24)22-11-8-20(28)12-25(22)29/h3-8,11-12,17-18,21,23-24,33H,9-10,13-16H2,1-2H3/t17-,18+,23-,24+,27-/s2
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>9.20n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in CHO cells by patch clamp method


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50378747
PNG
(CHEMBL1204056)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)C1CC1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1
Show InChI InChI=1/C25H30F2N4O2/c1-15-11-31(12-16(2)25(15,33)17-5-6-17)24(32)21-14-30(23-4-3-9-28-29-23)13-20(21)19-8-7-18(26)10-22(19)27/h3-4,7-10,15-17,20-21,33H,5-6,11-14H2,1-2H3/t15-,16+,20-,21+,25-/s2
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>10n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in CHO cells by patch clamp method


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315669
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyrimidin-4-yl)...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1ccncn1
Show InChI InChI=1/C28H30F2N4O2/c1-18-13-34(14-19(2)28(18,36)20-6-4-3-5-7-20)27(35)24-16-33(26-10-11-31-17-32-26)15-23(24)22-9-8-21(29)12-25(22)30/h3-12,17-19,23-24,36H,13-16H2,1-2H3/t18-,19+,23-,24+,28-/s2
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>10n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in CHO cells by patch clamp method


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315673
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyridazin-3-yl)...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1
Show InChI InChI=1/C28H30F2N4O2/c1-18-14-34(15-19(2)28(18,36)20-7-4-3-5-8-20)27(35)24-17-33(26-9-6-12-31-32-26)16-23(24)22-11-10-21(29)13-25(22)30/h3-13,18-19,23-24,36H,14-17H2,1-2H3/t18-,19+,23-,24+,28-/s2
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10n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315692
PNG
(CHEMBL1090488 | CHEMBL1204059)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H36F2N2O2/c1-18-14-31(15-19(2)28(18,34)20-9-7-6-8-10-20)26(33)24-17-32(27(3,4)5)16-23(24)22-12-11-21(29)13-25(22)30/h6-13,18-19,23-24,34H,14-17H2,1-5H3/t18-,19+,23-,24+,28-/s2
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>10n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in CHO cells by patch clamp method


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50378748
PNG
(CHEMBL1204054)
Show SMILES CCC[C@]1(O)[C@@H](C)CN(C[C@H]1C)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1
Show InChI InChI=1/C25H32F2N4O2/c1-4-9-25(33)16(2)12-31(13-17(25)3)24(32)21-15-30(23-6-5-10-28-29-23)14-20(21)19-8-7-18(26)11-22(19)27/h5-8,10-11,16-17,20-21,33H,4,9,12-15H2,1-3H3/t16-,17+,20-,21+,25-/s2
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>10n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in CHO cells by patch clamp method


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315673
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyridazin-3-yl)...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1
Show InChI InChI=1/C28H30F2N4O2/c1-18-14-34(15-19(2)28(18,36)20-7-4-3-5-8-20)27(35)24-17-33(26-9-6-12-31-32-26)16-23(24)22-11-10-21(29)13-25(22)30/h3-13,18-19,23-24,36H,14-17H2,1-2H3/t18-,19+,23-,24+,28-/s2
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>10n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in CHO cells by patch clamp method


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315691
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(Cl)cc1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H35ClF2N2O2/c1-17-13-32(14-18(2)28(17,35)19-6-8-20(29)9-7-19)26(34)24-16-33(27(3,4)5)15-23(24)22-11-10-21(30)12-25(22)31/h6-12,17-18,23-24,35H,13-16H2,1-5H3/t17-,18+,23-,24+,28-/s2
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>10n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in CHO cells by patch clamp method


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50029747
PNG
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
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21n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315692
PNG
(CHEMBL1090488 | CHEMBL1204059)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H36F2N2O2/c1-18-14-31(15-19(2)28(18,34)20-9-7-6-8-10-20)26(33)24-17-32(27(3,4)5)16-23(24)22-12-11-21(29)13-25(22)30/h6-13,18-19,23-24,34H,14-17H2,1-5H3/t18-,19+,23-,24+,28-/s2
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27n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315676
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(tetrahydro-2H-p...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)C1CCOCC1
Show InChI InChI=1/C29H36F2N2O3/c1-19-15-33(16-20(2)29(19,35)21-6-4-3-5-7-21)28(34)26-18-32(23-10-12-36-13-11-23)17-25(26)24-9-8-22(30)14-27(24)31/h3-9,14,19-20,23,25-26,35H,10-13,15-18H2,1-2H3/t19-,20+,25-,26+,29-/s2
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36n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50378743
PNG
(CHEMBL1204061)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(F)cc1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H35F3N2O2/c1-17-13-32(14-18(2)28(17,35)19-6-8-20(29)9-7-19)26(34)24-16-33(27(3,4)5)15-23(24)22-11-10-21(30)12-25(22)31/h6-12,17-18,23-24,35H,13-16H2,1-5H3/t17-,18+,23-,24+,28-/s2
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36n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315691
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(Cl)cc1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H35ClF2N2O2/c1-17-13-32(14-18(2)28(17,35)19-6-8-20(29)9-7-19)26(34)24-16-33(27(3,4)5)15-23(24)22-11-10-21(30)12-25(22)31/h6-12,17-18,23-24,35H,13-16H2,1-5H3/t17-,18+,23-,24+,28-/s2
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48n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315674
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyridin-3-yl)py...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnc1
Show InChI InChI=1/C29H31F2N3O2/c1-19-15-34(16-20(2)29(19,36)21-7-4-3-5-8-21)28(35)26-18-33(23-9-6-12-32-14-23)17-25(26)24-11-10-22(30)13-27(24)31/h3-14,19-20,25-26,36H,15-18H2,1-2H3/t19-,20+,25-,26+,29-/s2
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50n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315672
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyridazin-3-yl)...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccn1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1
Show InChI InChI=1/C27H29F2N5O2/c1-17-13-34(14-18(2)27(17,36)24-6-3-4-10-30-24)26(35)22-16-33(25-7-5-11-31-32-25)15-21(22)20-9-8-19(28)12-23(20)29/h3-12,17-18,21-22,36H,13-16H2,1-2H3/t17-,18+,21-,22+,27-/s2
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52n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50378748
PNG
(CHEMBL1204054)
Show SMILES CCC[C@]1(O)[C@@H](C)CN(C[C@H]1C)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1
Show InChI InChI=1/C25H32F2N4O2/c1-4-9-25(33)16(2)12-31(13-17(25)3)24(32)21-15-30(23-6-5-10-28-29-23)14-20(21)19-8-7-18(26)11-22(19)27/h5-8,10-11,16-17,20-21,33H,4,9,12-15H2,1-3H3/t16-,17+,20-,21+,25-/s2
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56n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315677
PNG
(((3R,4S)-1-cyclobutyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)C1CCC1
Show InChI InChI=1/C28H34F2N2O2/c1-18-14-32(15-19(2)28(18,34)20-7-4-3-5-8-20)27(33)25-17-31(22-9-6-10-22)16-24(25)23-12-11-21(29)13-26(23)30/h3-5,7-8,11-13,18-19,22,24-25,34H,6,9-10,14-17H2,1-2H3/t18-,19+,24-,25+,28-/s2
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62n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315669
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyrimidin-4-yl)...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1ccncn1
Show InChI InChI=1/C28H30F2N4O2/c1-18-13-34(14-19(2)28(18,36)20-6-4-3-5-7-20)27(35)24-16-33(26-10-11-31-17-32-26)15-23(24)22-9-8-21(29)12-25(22)30/h3-12,17-19,23-24,36H,13-16H2,1-2H3/t18-,19+,23-,24+,28-/s2
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64n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315675
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyridin-2-yl)py...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1ccccn1
Show InChI InChI=1/C29H31F2N3O2/c1-19-15-34(16-20(2)29(19,36)21-8-4-3-5-9-21)28(35)25-18-33(27-10-6-7-13-32-27)17-24(25)23-12-11-22(30)14-26(23)31/h3-14,19-20,24-25,36H,15-18H2,1-2H3/t19-,20+,24-,25+,29-/s2
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79n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315689
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1cccc(F)c1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H35F3N2O2/c1-17-13-32(14-18(2)28(17,35)19-7-6-8-20(29)11-19)26(34)24-16-33(27(3,4)5)15-23(24)22-10-9-21(30)12-25(22)31/h6-12,17-18,23-24,35H,13-16H2,1-5H3/t17-,18+,23-,24+,28-/s2
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97n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315688
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1c(F)cccc1F)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H34F4N2O2/c1-16-12-33(13-17(2)28(16,36)25-22(30)7-6-8-23(25)31)26(35)21-15-34(27(3,4)5)14-20(21)19-10-9-18(29)11-24(19)32/h6-11,16-17,20-21,36H,12-15H2,1-5H3/t16-,17+,20-,21+,28-/s2
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99n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50378746
PNG
(CHEMBL1204065)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@@H]1CN(C)C[C@H]1c1ccc(F)cc1F
Show InChI InChI=1/C25H30F2N2O2/c1-16-12-29(13-17(2)25(16,31)18-7-5-4-6-8-18)24(30)22-15-28(3)14-21(22)20-10-9-19(26)11-23(20)27/h4-11,16-17,21-22,31H,12-15H2,1-3H3/t16-,17+,21-,22+,25-/s2
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107n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315681
PNG
(((3S,4R)-4-(2,4-difluorophenyl)-1-isopropylpyrroli...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1ccccc1
Show InChI InChI=1/C27H34F2N2O2/c1-17(2)30-15-23(22-11-10-21(28)12-25(22)29)24(16-30)26(32)31-13-18(3)27(33,19(4)14-31)20-8-6-5-7-9-20/h5-12,17-19,23-24,33H,13-16H2,1-4H3/t18-,19+,23-,24+,27-/s2
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114n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50378747
PNG
(CHEMBL1204056)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)C1CC1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1
Show InChI InChI=1/C25H30F2N4O2/c1-15-11-31(12-16(2)25(15,33)17-5-6-17)24(32)21-14-30(23-4-3-9-28-29-23)13-20(21)19-8-7-18(26)10-22(19)27/h3-4,7-10,15-17,20-21,33H,5-6,11-14H2,1-2H3/t15-,16+,20-,21+,25-/s2
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172n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315687
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(F)cc1F)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H34F4N2O2/c1-16-12-33(13-17(2)28(16,36)23-9-7-19(30)11-25(23)32)26(35)22-15-34(27(3,4)5)14-21(22)20-8-6-18(29)10-24(20)31/h6-11,16-17,21-22,36H,12-15H2,1-5H3/t16-,17+,21-,22+,28-/s2
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176n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315678
PNG
(((3R,4S)-1-butyl-4-(2,4-difluorophenyl)pyrrolidin-...)
Show SMILES CCCCN1C[C@@H]([C@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1ccccc1
Show InChI InChI=1/C28H36F2N2O2/c1-4-5-13-31-17-24(23-12-11-22(29)14-26(23)30)25(18-31)27(33)32-15-19(2)28(34,20(3)16-32)21-9-7-6-8-10-21/h6-12,14,19-20,24-25,34H,4-5,13,15-18H2,1-3H3/t19-,20+,24-,25+,28-/s2
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233n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315680
PNG
(((3S,4R)-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@@H]1CNC[C@H]1c1ccc(F)cc1F
Show InChI InChI=1/C24H28F2N2O2/c1-15-13-28(14-16(2)24(15,30)17-6-4-3-5-7-17)23(29)21-12-27-11-20(21)19-9-8-18(25)10-22(19)26/h3-10,15-16,20-21,27,30H,11-14H2,1-2H3/t15-,16+,20-,21+,24-/s2
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264n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315679
PNG
(((3R,4S)-1-cyclopropyl-4-(2,4-difluorophenyl)pyrro...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)C1CC1
Show InChI InChI=1/C27H32F2N2O2/c1-17-13-31(14-18(2)27(17,33)19-6-4-3-5-7-19)26(32)24-16-30(21-9-10-21)15-23(24)22-11-8-20(28)12-25(22)29/h3-8,11-12,17-18,21,23-24,33H,9-10,13-16H2,1-2H3/t17-,18+,23-,24+,27-/s2
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290n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315668
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyrimidin-2-yl)...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1ncccn1
Show InChI InChI=1/C28H30F2N4O2/c1-18-14-33(15-19(2)28(18,36)20-7-4-3-5-8-20)26(35)24-17-34(27-31-11-6-12-32-27)16-23(24)22-10-9-21(29)13-25(22)30/h3-13,18-19,23-24,36H,14-17H2,1-2H3/t18-,19+,23-,24+,28-/s2
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300n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315683
PNG
(((3S,4R)-4-(2,4-difluorophenyl)-1-methylpyrrolidin...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(F)cc1)C(=O)[C@@H]1CN(C)C[C@H]1c1ccc(F)cc1F
Show InChI InChI=1/C25H29F3N2O2/c1-15-11-30(12-16(2)25(15,32)17-4-6-18(26)7-5-17)24(31)22-14-29(3)13-21(22)20-9-8-19(27)10-23(20)28/h4-10,15-16,21-22,32H,11-14H2,1-3H3/t15-,16+,21-,22+,25-/s2
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346n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315686
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccn1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C27H35F2N3O2/c1-17-13-31(14-18(2)27(17,34)24-8-6-7-11-30-24)25(33)22-16-32(26(3,4)5)15-21(22)20-10-9-19(28)12-23(20)29/h6-12,17-18,21-22,34H,13-16H2,1-5H3/t17-,18+,21-,22+,27-/s2
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350n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315682
PNG
(((3S,4R)-4-(2,4-difluorophenyl)-1-ethylpyrrolidin-...)
Show SMILES CCN1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1cccc(F)c1
Show InChI InChI=1/C26H31F3N2O2/c1-4-30-14-22(21-9-8-20(28)11-24(21)29)23(15-30)25(32)31-12-16(2)26(33,17(3)13-31)18-6-5-7-19(27)10-18/h5-11,16-17,22-23,33H,4,12-15H2,1-3H3/t16-,17+,22-,23+,26-/s2
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355n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315685
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES CCC[C@]1(O)[C@@H](C)CN(C[C@H]1C)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C25H38F2N2O2/c1-7-10-25(31)16(2)12-28(13-17(25)3)23(30)21-15-29(24(4,5)6)14-20(21)19-9-8-18(26)11-22(19)27/h8-9,11,16-17,20-21,31H,7,10,12-15H2,1-6H3/t16-,17+,20-,21+,25-/s2
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844n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50315674
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyridin-3-yl)py...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnc1
Show InChI InChI=1/C29H31F2N3O2/c1-19-15-34(16-20(2)29(19,36)21-7-4-3-5-8-21)28(35)26-18-33(23-9-6-12-32-14-23)17-25(26)24-11-10-22(30)13-27(24)31/h3-14,19-20,25-26,36H,15-18H2,1-2H3/t19-,20+,25-,26+,29-/s2
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n/an/an/an/a 65n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC3 receptor expressed in CHO cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50315675
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyridin-2-yl)py...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1ccccn1
Show InChI InChI=1/C29H31F2N3O2/c1-19-15-34(16-20(2)29(19,36)21-8-4-3-5-9-21)28(35)25-18-33(27-10-6-7-13-32-27)17-24(25)23-12-11-22(30)14-26(23)31/h3-14,19-20,24-25,36H,15-18H2,1-2H3/t19-,20+,24-,25+,29-/s2
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n/an/an/an/a 71n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC3 receptor expressed in CHO cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50315678
PNG
(((3R,4S)-1-butyl-4-(2,4-difluorophenyl)pyrrolidin-...)
Show SMILES CCCCN1C[C@@H]([C@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1ccccc1
Show InChI InChI=1/C28H36F2N2O2/c1-4-5-13-31-17-24(23-12-11-22(29)14-26(23)30)25(18-31)27(33)32-15-19(2)28(34,20(3)16-32)21-9-7-6-8-10-21/h6-12,14,19-20,24-25,34H,4-5,13,15-18H2,1-3H3/t19-,20+,24-,25+,28-/s2
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n/an/an/an/a>5.72E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC3 receptor expressed in CHO cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50315672
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyridazin-3-yl)...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccn1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1
Show InChI InChI=1/C27H29F2N5O2/c1-17-13-34(14-18(2)27(17,36)24-6-3-4-10-30-24)26(35)22-16-33(25-7-5-11-31-32-25)15-21(22)20-9-8-19(28)12-23(20)29/h3-12,17-18,21-22,36H,13-16H2,1-2H3/t17-,18+,21-,22+,27-/s2
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n/an/an/an/a 3.66E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC3 receptor expressed in CHO cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50315673
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyridazin-3-yl)...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1
Show InChI InChI=1/C28H30F2N4O2/c1-18-14-34(15-19(2)28(18,36)20-7-4-3-5-8-20)27(35)24-17-33(26-9-6-12-31-32-26)16-23(24)22-11-10-21(29)13-25(22)30/h3-13,18-19,23-24,36H,14-17H2,1-2H3/t18-,19+,23-,24+,28-/s2
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n/an/an/an/a 490n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC3 receptor expressed in CHO cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50029747
PNG
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
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n/an/an/an/a 360n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC5 receptor expressed in HEK293 cells assessed as cAMP accumulation by beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50315674
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyridin-3-yl)py...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnc1
Show InChI InChI=1/C29H31F2N3O2/c1-19-15-34(16-20(2)29(19,36)21-7-4-3-5-8-21)28(35)26-18-33(23-9-6-12-32-14-23)17-25(26)24-11-10-22(30)13-27(24)31/h3-14,19-20,25-26,36H,15-18H2,1-2H3/t19-,20+,25-,26+,29-/s2
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n/an/an/an/a>8.22E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50315679
PNG
(((3R,4S)-1-cyclopropyl-4-(2,4-difluorophenyl)pyrro...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)C1CC1
Show InChI InChI=1/C27H32F2N2O2/c1-17-13-31(14-18(2)27(17,33)19-6-4-3-5-7-19)26(32)24-16-30(21-9-10-21)15-23(24)22-11-8-20(28)12-25(22)29/h3-8,11-12,17-18,21,23-24,33H,9-10,13-16H2,1-2H3/t17-,18+,23-,24+,27-/s2
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n/an/an/an/a>4.91E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315712
PNG
(((3R,4S)-1-(cyclopropylmethyl)-4-(2,4-difluorophen...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(CC2CC2)C[C@@H]1c1ccc(F)cc1F
Show InChI InChI=1/C28H34F2N2O2/c1-18-13-32(14-19(2)28(18,34)21-6-4-3-5-7-21)27(33)25-17-31(15-20-8-9-20)16-24(25)23-11-10-22(29)12-26(23)30/h3-7,10-12,18-20,24-25,34H,8-9,13-17H2,1-2H3/t18-,19+,24-,25+,28-/s2
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n/an/an/an/a 81n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315679
PNG
(((3R,4S)-1-cyclopropyl-4-(2,4-difluorophenyl)pyrro...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)C1CC1
Show InChI InChI=1/C27H32F2N2O2/c1-17-13-31(14-18(2)27(17,33)19-6-4-3-5-7-19)26(32)24-16-30(21-9-10-21)15-23(24)22-11-8-20(28)12-25(22)29/h3-8,11-12,17-18,21,23-24,33H,9-10,13-16H2,1-2H3/t17-,18+,23-,24+,27-/s2
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n/an/an/an/a 55n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315715
PNG
(((3S,4R,5R)-4-(3,4-difluorophenyl)-4-hydroxy-3,5-d...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(F)c(F)c1)C(=O)[C@@H]1CNC[C@H]1c1ccc(F)cc1F
Show InChI InChI=1/C24H26F4N2O2/c1-13-11-30(12-14(2)24(13,32)15-3-6-20(26)22(28)7-15)23(31)19-10-29-9-18(19)17-5-4-16(25)8-21(17)27/h3-8,13-14,18-19,29,32H,9-12H2,1-2H3/t13-,14+,18-,19+,24-/s2
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n/an/an/an/a 288n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50378758
PNG
(CHEMBL1204070)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1cccc(F)c1
Show InChI InChI=1/C27H33F3N2O2/c1-16(2)31-14-23(22-9-8-21(29)11-25(22)30)24(15-31)26(33)32-12-17(3)27(34,18(4)13-32)19-6-5-7-20(28)10-19/h5-11,16-18,23-24,34H,12-15H2,1-4H3/t17-,18+,23-,24+,27-/s2
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n/an/an/an/a 40n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50315677
PNG
(((3R,4S)-1-cyclobutyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)C1CCC1
Show InChI InChI=1/C28H34F2N2O2/c1-18-14-32(15-19(2)28(18,34)20-7-4-3-5-8-20)27(33)25-17-31(22-9-6-10-22)16-24(25)23-12-11-21(29)13-26(23)30/h3-5,7-8,11-13,18-19,22,24-25,34H,6,9-10,14-17H2,1-2H3/t18-,19+,24-,25+,28-/s2
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n/an/an/an/a 500n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC3 receptor expressed in CHO cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50027432
PNG
(CHEMBL2372570)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC2=NC=NC2)NC1=O)C(N)=O
Show InChI InChI=1/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26,28,35-41,57H,3-4,10-12,16,18-25,27H2,1-2H3,(H2,51,68)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/s2
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n/an/an/an/a 0.100n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50315692
PNG
(CHEMBL1090488 | CHEMBL1204059)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H36F2N2O2/c1-18-14-31(15-19(2)28(18,34)20-9-7-6-8-10-20)26(33)24-17-32(27(3,4)5)16-23(24)22-12-11-21(29)13-25(22)30/h6-13,18-19,23-24,34H,14-17H2,1-5H3/t18-,19+,23-,24+,28-/s2
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n/an/an/an/a 1.16E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC3 receptor expressed in CHO cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50315669
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyrimidin-4-yl)...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1ccncn1
Show InChI InChI=1/C28H30F2N4O2/c1-18-13-34(14-19(2)28(18,36)20-6-4-3-5-7-20)27(35)24-16-33(26-10-11-31-17-32-26)15-23(24)22-9-8-21(29)12-25(22)30/h3-12,17-19,23-24,36H,13-16H2,1-2H3/t18-,19+,23-,24+,28-/s2
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n/an/an/an/a 600n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC3 receptor expressed in CHO cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50315673
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyridazin-3-yl)...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1
Show InChI InChI=1/C28H30F2N4O2/c1-18-14-34(15-19(2)28(18,36)20-7-4-3-5-8-20)27(35)24-17-33(26-9-6-12-31-32-26)16-23(24)22-11-10-21(29)13-25(22)30/h3-13,18-19,23-24,36H,14-17H2,1-2H3/t18-,19+,23-,24+,28-/s2
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n/an/an/an/a>2.00E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC5 receptor expressed in HEK293 cells assessed as cAMP accumulation by beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50315683
PNG
(((3S,4R)-4-(2,4-difluorophenyl)-1-methylpyrrolidin...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(F)cc1)C(=O)[C@@H]1CN(C)C[C@H]1c1ccc(F)cc1F
Show InChI InChI=1/C25H29F3N2O2/c1-15-11-30(12-16(2)25(15,32)17-4-6-18(26)7-5-17)24(31)22-14-29(3)13-21(22)20-9-8-19(27)10-23(20)28/h4-10,15-16,21-22,32H,11-14H2,1-3H3/t15-,16+,21-,22+,25-/s2
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n/an/an/an/a 1.50E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC5 receptor expressed in HEK293 cells assessed as cAMP accumulation by beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50378747
PNG
(CHEMBL1204056)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)C1CC1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1
Show InChI InChI=1/C25H30F2N4O2/c1-15-11-31(12-16(2)25(15,33)17-5-6-17)24(32)21-14-30(23-4-3-9-28-29-23)13-20(21)19-8-7-18(26)10-22(19)27/h3-4,7-10,15-17,20-21,33H,5-6,11-14H2,1-2H3/t15-,16+,20-,21+,25-/s2
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n/an/an/an/a>1.67E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50378748
PNG
(CHEMBL1204054)
Show SMILES CCC[C@]1(O)[C@@H](C)CN(C[C@H]1C)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1
Show InChI InChI=1/C25H32F2N4O2/c1-4-9-25(33)16(2)12-31(13-17(25)3)24(32)21-15-30(23-6-5-10-28-29-23)14-20(21)19-8-7-18(26)11-22(19)27/h5-8,10-11,16-17,20-21,33H,4,9,12-15H2,1-3H3/t16-,17+,20-,21+,25-/s2
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n/an/an/an/a 3.90E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50315673
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyridazin-3-yl)...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1
Show InChI InChI=1/C28H30F2N4O2/c1-18-14-34(15-19(2)28(18,36)20-7-4-3-5-8-20)27(35)24-17-33(26-9-6-12-31-32-26)16-23(24)22-11-10-21(29)13-25(22)30/h3-13,18-19,23-24,36H,14-17H2,1-2H3/t18-,19+,23-,24+,28-/s2
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n/an/an/an/a>3.07E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50315680
PNG
(((3S,4R)-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@@H]1CNC[C@H]1c1ccc(F)cc1F
Show InChI InChI=1/C24H28F2N2O2/c1-15-13-28(14-16(2)24(15,30)17-6-4-3-5-7-17)23(29)21-12-27-11-20(21)19-9-8-18(25)10-22(19)26/h3-10,15-16,20-21,27,30H,11-14H2,1-2H3/t15-,16+,20-,21+,24-/s2
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n/an/an/an/a>8.74E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50315681
PNG
(((3S,4R)-4-(2,4-difluorophenyl)-1-isopropylpyrroli...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1ccccc1
Show InChI InChI=1/C27H34F2N2O2/c1-17(2)30-15-23(22-11-10-21(28)12-25(22)29)24(16-30)26(32)31-13-18(3)27(33,19(4)14-31)20-8-6-5-7-9-20/h5-12,17-19,23-24,33H,13-16H2,1-4H3/t18-,19+,23-,24+,27-/s2
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n/an/an/an/a 750n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50378746
PNG
(CHEMBL1204065)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@@H]1CN(C)C[C@H]1c1ccc(F)cc1F
Show InChI InChI=1/C25H30F2N2O2/c1-16-12-29(13-17(2)25(16,31)18-7-5-4-6-8-18)24(30)22-15-28(3)14-21(22)20-10-9-19(26)11-23(20)27/h4-11,16-17,21-22,31H,12-15H2,1-3H3/t16-,17+,21-,22+,25-/s2
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n/an/an/an/a>7.81E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50315686
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccn1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C27H35F2N3O2/c1-17-13-31(14-18(2)27(17,34)24-8-6-7-11-30-24)25(33)22-16-32(26(3,4)5)15-21(22)20-10-9-19(28)12-23(20)29/h6-12,17-18,21-22,34H,13-16H2,1-5H3/t17-,18+,21-,22+,27-/s2
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n/an/an/an/a 1.17E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50315689
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1cccc(F)c1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H35F3N2O2/c1-17-13-32(14-18(2)28(17,35)19-7-6-8-20(29)11-19)26(34)24-16-33(27(3,4)5)15-23(24)22-10-9-21(30)12-25(22)31/h6-12,17-18,23-24,35H,13-16H2,1-5H3/t17-,18+,23-,24+,28-/s2
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n/an/an/an/a>6.47E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50378753
PNG
(CHEMBL1204064)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1cncnc1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C26H34F2N4O2/c1-16-11-31(12-17(2)26(16,34)18-9-29-15-30-10-18)24(33)22-14-32(25(3,4)5)13-21(22)20-7-6-19(27)8-23(20)28/h6-10,15-17,21-22,34H,11-14H2,1-5H3/t16-,17+,21-,22+,26-/s2
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n/an/an/an/a 1.11E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315708
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyrimidin-5-yl)...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cncnc1
Show InChI InChI=1/C28H30F2N4O2/c1-18-13-34(14-19(2)28(18,36)20-6-4-3-5-7-20)27(35)25-16-33(22-11-31-17-32-12-22)15-24(25)23-9-8-21(29)10-26(23)30/h3-12,17-19,24-25,36H,13-16H2,1-2H3/t18-,19+,24-,25+,28-/s2
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n/an/an/an/a 117n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315711
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(2-methoxyethyl)...)
Show SMILES COCCN1C[C@@H]([C@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1ccccc1
Show InChI InChI=1/C27H34F2N2O3/c1-18-14-31(15-19(2)27(18,33)20-7-5-4-6-8-20)26(32)24-17-30(11-12-34-3)16-23(24)22-10-9-21(28)13-25(22)29/h4-10,13,18-19,23-24,33H,11-12,14-17H2,1-3H3/t18-,19+,23-,24+,27-/s2
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n/an/an/an/a 374n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315717
PNG
(((3S,4R)-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(F)cc1)C(=O)[C@@H]1CNC[C@H]1c1ccc(F)cc1F
Show InChI InChI=1/C24H27F3N2O2/c1-14-12-29(13-15(2)24(14,31)16-3-5-17(25)6-4-16)23(30)21-11-28-10-20(21)19-8-7-18(26)9-22(19)27/h3-9,14-15,20-21,28,31H,10-13H2,1-2H3/t14-,15+,20-,21+,24-/s2
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n/an/an/an/a 255n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50315686
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccn1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C27H35F2N3O2/c1-17-13-31(14-18(2)27(17,34)24-8-6-7-11-30-24)25(33)22-16-32(26(3,4)5)15-21(22)20-10-9-19(28)12-23(20)29/h6-12,17-18,21-22,34H,13-16H2,1-5H3/t17-,18+,21-,22+,27-/s2
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n/an/an/an/a>3.33E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC3 receptor expressed in CHO cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50315685
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES CCC[C@]1(O)[C@@H](C)CN(C[C@H]1C)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C25H38F2N2O2/c1-7-10-25(31)16(2)12-28(13-17(25)3)23(30)21-15-29(24(4,5)6)14-20(21)19-9-8-18(26)11-22(19)27/h8-9,11,16-17,20-21,31H,7,10,12-15H2,1-6H3/t16-,17+,20-,21+,25-/s2
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n/an/an/an/a>2.47E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC3 receptor expressed in CHO cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50315679
PNG
(((3R,4S)-1-cyclopropyl-4-(2,4-difluorophenyl)pyrro...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)C1CC1
Show InChI InChI=1/C27H32F2N2O2/c1-17-13-31(14-18(2)27(17,33)19-6-4-3-5-7-19)26(32)24-16-30(21-9-10-21)15-23(24)22-11-8-20(28)12-25(22)29/h3-8,11-12,17-18,21,23-24,33H,9-10,13-16H2,1-2H3/t17-,18+,23-,24+,27-/s2
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n/an/an/an/a>3.33E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC3 receptor expressed in CHO cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50315691
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(Cl)cc1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H35ClF2N2O2/c1-17-13-32(14-18(2)28(17,35)19-6-8-20(29)9-7-19)26(34)24-16-33(27(3,4)5)15-23(24)22-11-10-21(30)12-25(22)31/h6-12,17-18,23-24,35H,13-16H2,1-5H3/t17-,18+,23-,24+,28-/s2
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n/an/an/an/a 3.68E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC3 receptor expressed in CHO cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315691
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(Cl)cc1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H35ClF2N2O2/c1-17-13-32(14-18(2)28(17,35)19-6-8-20(29)9-7-19)26(34)24-16-33(27(3,4)5)15-23(24)22-11-10-21(30)12-25(22)31/h6-12,17-18,23-24,35H,13-16H2,1-5H3/t17-,18+,23-,24+,28-/s2
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n/an/an/an/a 30n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50378741
PNG
(CHEMBL1204063)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1cccc(c1)C#N)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C29H35F2N3O2/c1-18-14-33(15-19(2)29(18,36)21-8-6-7-20(11-21)13-32)27(35)25-17-34(28(3,4)5)16-24(25)23-10-9-22(30)12-26(23)31/h6-12,18-19,24-25,36H,14-17H2,1-5H3/t18-,19+,24-,25+,29-/s2
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n/an/an/an/a 644n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50378744
PNG
(CHEMBL1204060)
Show SMILES COc1ccc(cc1)[C@]1(O)[C@@H](C)CN(C[C@H]1C)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C29H38F2N2O3/c1-18-14-32(15-19(2)29(18,35)20-7-10-22(36-6)11-8-20)27(34)25-17-33(28(3,4)5)16-24(25)23-12-9-21(30)13-26(23)31/h7-13,18-19,24-25,35H,14-17H2,1-6H3/t18-,19+,24-,25+,29-/s2
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n/an/an/an/a 53n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50315675
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyridin-2-yl)py...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1ccccn1
Show InChI InChI=1/C29H31F2N3O2/c1-19-15-34(16-20(2)29(19,36)21-8-4-3-5-9-21)28(35)25-18-33(27-10-6-7-13-32-27)17-24(25)23-12-11-22(30)14-26(23)31/h3-14,19-20,24-25,36H,15-18H2,1-2H3/t19-,20+,24-,25+,29-/s2
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n/an/an/an/a 960n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC5 receptor expressed in HEK293 cells assessed as cAMP accumulation by beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50378746
PNG
(CHEMBL1204065)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@@H]1CN(C)C[C@H]1c1ccc(F)cc1F
Show InChI InChI=1/C25H30F2N2O2/c1-16-12-29(13-17(2)25(16,31)18-7-5-4-6-8-18)24(30)22-15-28(3)14-21(22)20-10-9-19(26)11-23(20)27/h4-11,16-17,21-22,31H,12-15H2,1-3H3/t16-,17+,21-,22+,25-/s2
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n/an/an/an/a 2.00E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC5 receptor expressed in HEK293 cells assessed as cAMP accumulation by beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50315688
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1c(F)cccc1F)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H34F4N2O2/c1-16-12-33(13-17(2)28(16,36)25-22(30)7-6-8-23(25)31)26(35)21-15-34(27(3,4)5)14-20(21)19-10-9-18(29)11-24(19)32/h6-11,16-17,20-21,36H,12-15H2,1-5H3/t16-,17+,20-,21+,28-/s2
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n/an/an/an/a>5.81E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC5 receptor expressed in HEK293 cells assessed as cAMP accumulation by beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50315689
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1cccc(F)c1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H35F3N2O2/c1-17-13-32(14-18(2)28(17,35)19-7-6-8-20(29)11-19)26(34)24-16-33(27(3,4)5)15-23(24)22-10-9-21(30)12-25(22)31/h6-12,17-18,23-24,35H,13-16H2,1-5H3/t17-,18+,23-,24+,28-/s2
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n/an/an/an/a 1.80E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC5 receptor expressed in HEK293 cells assessed as cAMP accumulation by beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50315668
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyrimidin-2-yl)...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1ncccn1
Show InChI InChI=1/C28H30F2N4O2/c1-18-14-33(15-19(2)28(18,36)20-7-4-3-5-8-20)26(35)24-17-34(27-31-11-6-12-32-27)16-23(24)22-10-9-21(29)13-25(22)30/h3-13,18-19,23-24,36H,14-17H2,1-2H3/t18-,19+,23-,24+,28-/s2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50315672
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyridazin-3-yl)...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccn1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1
Show InChI InChI=1/C27H29F2N5O2/c1-17-13-34(14-18(2)27(17,36)24-6-3-4-10-30-24)26(35)22-16-33(25-7-5-11-31-32-25)15-21(22)20-9-8-19(28)12-23(20)29/h3-12,17-18,21-22,36H,13-16H2,1-2H3/t17-,18+,21-,22+,27-/s2
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n/an/an/an/a 1.85E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50315675
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyridin-2-yl)py...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1ccccn1
Show InChI InChI=1/C29H31F2N3O2/c1-19-15-34(16-20(2)29(19,36)21-8-4-3-5-9-21)28(35)25-18-33(27-10-6-7-13-32-27)17-24(25)23-12-11-22(30)14-26(23)31/h3-14,19-20,24-25,36H,15-18H2,1-2H3/t19-,20+,24-,25+,29-/s2
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n/an/an/an/a>1.67E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50315676
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(tetrahydro-2H-p...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)C1CCOCC1
Show InChI InChI=1/C29H36F2N2O3/c1-19-15-33(16-20(2)29(19,35)21-6-4-3-5-7-21)28(34)26-18-32(23-10-12-36-13-11-23)17-25(26)24-9-8-22(30)14-27(24)31/h3-9,14,19-20,23,25-26,35H,10-13,15-18H2,1-2H3/t19-,20+,25-,26+,29-/s2
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n/an/an/an/a>1.19E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50315677
PNG
(((3R,4S)-1-cyclobutyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)C1CCC1
Show InChI InChI=1/C28H34F2N2O2/c1-18-14-32(15-19(2)28(18,34)20-7-4-3-5-8-20)27(33)25-17-31(22-9-6-10-22)16-24(25)23-12-11-21(29)13-26(23)30/h3-5,7-8,11-13,18-19,22,24-25,34H,6,9-10,14-17H2,1-2H3/t18-,19+,24-,25+,28-/s2
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n/an/an/an/a 350n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50378749
PNG
(CHEMBL1204069)
Show SMILES CCN1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1ccc(F)c(F)c1
Show InChI InChI=1/C26H30F4N2O2/c1-4-31-13-20(19-7-6-18(27)10-23(19)29)21(14-31)25(33)32-11-15(2)26(34,16(3)12-32)17-5-8-22(28)24(30)9-17/h5-10,15-16,20-21,34H,4,11-14H2,1-3H3/t15-,16+,20-,21+,26-/s2
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n/an/an/an/a 69n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50378750
PNG
(CHEMBL1204068)
Show SMILES CCN1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1ccc(F)cc1F
Show InChI InChI=1/C26H30F4N2O2/c1-4-31-13-20(19-7-5-17(27)9-23(19)29)21(14-31)25(33)32-11-15(2)26(34,16(3)12-32)22-8-6-18(28)10-24(22)30/h5-10,15-16,20-21,34H,4,11-14H2,1-3H3/t15-,16+,20-,21+,26-/s2
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n/an/an/an/a 51n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315685
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES CCC[C@]1(O)[C@@H](C)CN(C[C@H]1C)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C25H38F2N2O2/c1-7-10-25(31)16(2)12-28(13-17(25)3)23(30)21-15-29(24(4,5)6)14-20(21)19-9-8-18(26)11-22(19)27/h8-9,11,16-17,20-21,31H,7,10,12-15H2,1-6H3/t16-,17+,20-,21+,25-/s2
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n/an/an/an/a 126n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315707
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyrazin-2-yl)py...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cnccn1
Show InChI InChI=1/C28H30F2N4O2/c1-18-14-34(15-19(2)28(18,36)20-6-4-3-5-7-20)27(35)24-17-33(26-13-31-10-11-32-26)16-23(24)22-9-8-21(29)12-25(22)30/h3-13,18-19,23-24,36H,14-17H2,1-2H3/t18-,19+,23-,24+,28-/s2
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n/an/an/an/a 111n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50378756
PNG
(CHEMBL1204055)
Show SMILES CC(C)[C@]1(O)[C@@H](C)CN(C[C@H]1C)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1
Show InChI InChI=1/C25H32F2N4O2/c1-15(2)25(33)16(3)11-31(12-17(25)4)24(32)21-14-30(23-6-5-9-28-29-23)13-20(21)19-8-7-18(26)10-22(19)27/h5-10,15-17,20-21,33H,11-14H2,1-4H3/t16-,17+,20-,21+,25-/s2
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n/an/an/an/a 89n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50378748
PNG
(CHEMBL1204054)
Show SMILES CCC[C@]1(O)[C@@H](C)CN(C[C@H]1C)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1
Show InChI InChI=1/C25H32F2N4O2/c1-4-9-25(33)16(2)12-31(13-17(25)3)24(32)21-15-30(23-6-5-10-28-29-23)14-20(21)19-8-7-18(26)11-22(19)27/h5-8,10-11,16-17,20-21,33H,4,9,12-15H2,1-3H3/t16-,17+,20-,21+,25-/s2
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n/an/an/an/a 21n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50378757
PNG
(CHEMBL1204053)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(F)cc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1
Show InChI InChI=1/C28H29F3N4O2/c1-17-13-35(14-18(2)28(17,37)19-5-7-20(29)8-6-19)27(36)24-16-34(26-4-3-11-32-33-26)15-23(24)22-10-9-21(30)12-25(22)31/h3-12,17-18,23-24,37H,13-16H2,1-2H3/t17-,18+,23-,24+,28-/s2
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n/an/an/an/a 4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315675
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyridin-2-yl)py...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1ccccn1
Show InChI InChI=1/C29H31F2N3O2/c1-19-15-34(16-20(2)29(19,36)21-8-4-3-5-9-21)28(35)25-18-33(27-10-6-7-13-32-27)17-24(25)23-12-11-22(30)14-26(23)31/h3-14,19-20,24-25,36H,15-18H2,1-2H3/t19-,20+,24-,25+,29-/s2
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n/an/an/an/a 15n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315714
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-propylpyrrolidin...)
Show SMILES CCCN1C[C@@H]([C@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1ccccc1
Show InChI InChI=1/C27H34F2N2O2/c1-4-12-30-16-23(22-11-10-21(28)13-25(22)29)24(17-30)26(32)31-14-18(2)27(33,19(3)15-31)20-8-6-5-7-9-20/h5-11,13,18-19,23-24,33H,4,12,14-17H2,1-3H3/t18-,19+,23-,24+,27-/s2
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n/an/an/an/a 19n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315678
PNG
(((3R,4S)-1-butyl-4-(2,4-difluorophenyl)pyrrolidin-...)
Show SMILES CCCCN1C[C@@H]([C@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1ccccc1
Show InChI InChI=1/C28H36F2N2O2/c1-4-5-13-31-17-24(23-12-11-22(29)14-26(23)30)25(18-31)27(33)32-15-19(2)28(34,20(3)16-32)21-9-7-6-8-10-21/h6-12,14,19-20,24-25,34H,4-5,13,15-18H2,1-3H3/t19-,20+,24-,25+,28-/s2
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n/an/an/an/a 105n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50378746
PNG
(CHEMBL1204065)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@@H]1CN(C)C[C@H]1c1ccc(F)cc1F
Show InChI InChI=1/C25H30F2N2O2/c1-16-12-29(13-17(2)25(16,31)18-7-5-4-6-8-18)24(30)22-15-28(3)14-21(22)20-10-9-19(26)11-23(20)27/h4-11,16-17,21-22,31H,12-15H2,1-3H3/t16-,17+,21-,22+,25-/s2
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n/an/an/an/a 717n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50029747
PNG
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
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n/an/an/an/a 2.20n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315724
PNG
(1-{[(3S,4R)-1-tert-Butyl-4-(2,4-difluorophenyl)pyr...)
Show SMILES CC(C)(C)N1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(O)(CC1)c1ccccc1
Show InChI InChI=1/C26H32F2N2O2/c1-25(2,3)30-16-21(20-10-9-19(27)15-23(20)28)22(17-30)24(31)29-13-11-26(32,12-14-29)18-7-5-4-6-8-18/h4-10,15,21-22,32H,11-14,16-17H2,1-3H3/t21-,22+/s2
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n/an/an/an/a 1.12E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50315668
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyrimidin-2-yl)...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1ncccn1
Show InChI InChI=1/C28H30F2N4O2/c1-18-14-33(15-19(2)28(18,36)20-7-4-3-5-8-20)26(35)24-17-34(27-31-11-6-12-32-27)16-23(24)22-10-9-21(29)13-25(22)30/h3-13,18-19,23-24,36H,14-17H2,1-2H3/t18-,19+,23-,24+,28-/s2
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n/an/an/an/a>1.11E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC5 receptor expressed in HEK293 cells assessed as cAMP accumulation by beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50315687
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(F)cc1F)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H34F4N2O2/c1-16-12-33(13-17(2)28(16,36)23-9-7-19(30)11-25(23)32)26(35)22-15-34(27(3,4)5)14-21(22)20-8-6-18(29)10-24(20)31/h6-11,16-17,21-22,36H,12-15H2,1-5H3/t16-,17+,21-,22+,28-/s2
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n/an/an/an/a 3.50E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC5 receptor expressed in HEK293 cells assessed as cAMP accumulation by beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50315682
PNG
(((3S,4R)-4-(2,4-difluorophenyl)-1-ethylpyrrolidin-...)
Show SMILES CCN1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1cccc(F)c1
Show InChI InChI=1/C26H31F3N2O2/c1-4-30-14-22(21-9-8-20(28)11-24(21)29)23(15-30)25(32)31-12-16(2)26(33,17(3)13-31)18-6-5-7-19(27)10-18/h5-11,16-17,22-23,33H,4,12-15H2,1-3H3/t16-,17+,22-,23+,26-/s2
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n/an/an/an/a>8.25E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50029747
PNG
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
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n/an/an/an/a 0.900n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315683
PNG
(((3S,4R)-4-(2,4-difluorophenyl)-1-methylpyrrolidin...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(F)cc1)C(=O)[C@@H]1CN(C)C[C@H]1c1ccc(F)cc1F
Show InChI InChI=1/C25H29F3N2O2/c1-15-11-30(12-16(2)25(15,32)17-4-6-18(26)7-5-17)24(31)22-14-29(3)13-21(22)20-9-8-19(27)10-23(20)28/h4-10,15-16,21-22,32H,11-14H2,1-3H3/t15-,16+,21-,22+,25-/s2
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n/an/an/an/a 365n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315698
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)C1CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C25H36F2N2O2/c1-15-11-28(12-16(2)25(15,31)17-6-7-17)23(30)21-14-29(24(3,4)5)13-20(21)19-9-8-18(26)10-22(19)27/h8-10,15-17,20-21,31H,6-7,11-14H2,1-5H3/t15-,16+,20-,21+,25-/s2
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n/an/an/an/a 962n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315699
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES CC(C)[C@]1(O)[C@@H](C)CN(C[C@H]1C)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C25H38F2N2O2/c1-15(2)25(31)16(3)11-28(12-17(25)4)23(30)21-14-29(24(5,6)7)13-20(21)19-9-8-18(26)10-22(19)27/h8-10,15-17,20-21,31H,11-14H2,1-7H3/t16-,17+,20-,21+,25-/s2
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n/an/an/an/a 626n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315720
PNG
(((3S,4R)-4-(2,4-difluorophenyl)-1-isopropylpyrroli...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1ccc(F)cc1F
Show InChI InChI=1/C27H32F4N2O2/c1-15(2)32-13-21(20-7-5-18(28)9-24(20)30)22(14-32)26(34)33-11-16(3)27(35,17(4)12-33)23-8-6-19(29)10-25(23)31/h5-10,15-17,21-22,35H,11-14H2,1-4H3/t16-,17+,21-,22+,27-/s2
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n/an/an/an/a 220n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50315681
PNG
(((3S,4R)-4-(2,4-difluorophenyl)-1-isopropylpyrroli...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1ccccc1
Show InChI InChI=1/C27H34F2N2O2/c1-17(2)30-15-23(22-11-10-21(28)12-25(22)29)24(16-30)26(32)31-13-18(3)27(33,19(4)14-31)20-8-6-5-7-9-20/h5-12,17-19,23-24,33H,13-16H2,1-4H3/t18-,19+,23-,24+,27-/s2
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n/an/an/an/a 1.16E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC3 receptor expressed in CHO cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50315687
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(F)cc1F)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H34F4N2O2/c1-16-12-33(13-17(2)28(16,36)23-9-7-19(30)11-25(23)32)26(35)22-15-34(27(3,4)5)14-21(22)20-8-6-18(29)10-24(20)31/h6-11,16-17,21-22,36H,12-15H2,1-5H3/t16-,17+,21-,22+,28-/s2
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n/an/an/an/a 1.07E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC3 receptor expressed in CHO cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50378743
PNG
(CHEMBL1204061)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(F)cc1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H35F3N2O2/c1-17-13-32(14-18(2)28(17,35)19-6-8-20(29)9-7-19)26(34)24-16-33(27(3,4)5)15-23(24)22-11-10-21(30)12-25(22)31/h6-12,17-18,23-24,35H,13-16H2,1-5H3/t17-,18+,23-,24+,28-/s2
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n/an/an/an/a 3.05E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC3 receptor expressed in CHO cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315676
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(tetrahydro-2H-p...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)C1CCOCC1
Show InChI InChI=1/C29H36F2N2O3/c1-19-15-33(16-20(2)29(19,35)21-6-4-3-5-7-21)28(34)26-18-32(23-10-12-36-13-11-23)17-25(26)24-9-8-22(30)14-27(24)31/h3-9,14,19-20,23,25-26,35H,10-13,15-18H2,1-2H3/t19-,20+,25-,26+,29-/s2
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n/an/an/an/a 18n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315689
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1cccc(F)c1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H35F3N2O2/c1-17-13-32(14-18(2)28(17,35)19-7-6-8-20(29)11-19)26(34)24-16-33(27(3,4)5)15-23(24)22-10-9-21(30)12-25(22)31/h6-12,17-18,23-24,35H,13-16H2,1-5H3/t17-,18+,23-,24+,28-/s2
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n/an/an/an/a 6n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50378742
PNG
(CHEMBL1204062)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(cc1)C(F)(F)F)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C29H35F5N2O2/c1-17-13-35(14-18(2)28(17,38)19-6-8-20(9-7-19)29(32,33)34)26(37)24-16-36(27(3,4)5)15-23(24)22-11-10-21(30)12-25(22)31/h6-12,17-18,23-24,38H,13-16H2,1-5H3/t17-,18+,23-,24+,28-/s2
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n/an/an/an/a 108n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50315669
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyrimidin-4-yl)...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1ccncn1
Show InChI InChI=1/C28H30F2N4O2/c1-18-13-34(14-19(2)28(18,36)20-6-4-3-5-7-20)27(35)24-16-33(26-10-11-31-17-32-26)15-23(24)22-9-8-21(29)12-25(22)30/h3-12,17-19,23-24,36H,13-16H2,1-2H3/t18-,19+,23-,24+,28-/s2
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n/an/an/an/a>1.40E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC5 receptor expressed in HEK293 cells assessed as cAMP accumulation by beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50315680
PNG
(((3S,4R)-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@@H]1CNC[C@H]1c1ccc(F)cc1F
Show InChI InChI=1/C24H28F2N2O2/c1-15-13-28(14-16(2)24(15,30)17-6-4-3-5-7-17)23(29)21-12-27-11-20(21)19-9-8-18(25)10-22(19)26/h3-10,15-16,20-21,27,30H,11-14H2,1-2H3/t15-,16+,20-,21+,24-/s2
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n/an/an/an/a>2.00E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC5 receptor expressed in HEK293 cells assessed as cAMP accumulation by beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50315686
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccn1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C27H35F2N3O2/c1-17-13-31(14-18(2)27(17,34)24-8-6-7-11-30-24)25(33)22-16-32(26(3,4)5)15-21(22)20-10-9-19(28)12-23(20)29/h6-12,17-18,21-22,34H,13-16H2,1-5H3/t17-,18+,21-,22+,27-/s2
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n/an/an/an/a 1.78E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC5 receptor expressed in HEK293 cells assessed as cAMP accumulation by beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50315692
PNG
(CHEMBL1090488 | CHEMBL1204059)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H36F2N2O2/c1-18-14-31(15-19(2)28(18,34)20-9-7-6-8-10-20)26(33)24-17-32(27(3,4)5)16-23(24)22-12-11-21(29)13-25(22)30/h6-13,18-19,23-24,34H,14-17H2,1-5H3/t18-,19+,23-,24+,28-/s2
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n/an/an/an/a 1.98E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC5 receptor expressed in HEK293 cells assessed as cAMP accumulation by beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50315685
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES CCC[C@]1(O)[C@@H](C)CN(C[C@H]1C)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C25H38F2N2O2/c1-7-10-25(31)16(2)12-28(13-17(25)3)23(30)21-15-29(24(4,5)6)14-20(21)19-9-8-18(26)11-22(19)27/h8-9,11,16-17,20-21,31H,7,10,12-15H2,1-6H3/t16-,17+,20-,21+,25-/s2
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n/an/an/an/a 3.61E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50378743
PNG
(CHEMBL1204061)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(F)cc1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H35F3N2O2/c1-17-13-32(14-18(2)28(17,35)19-6-8-20(29)9-7-19)26(34)24-16-33(27(3,4)5)15-23(24)22-11-10-21(30)12-25(22)31/h6-12,17-18,23-24,35H,13-16H2,1-5H3/t17-,18+,23-,24+,28-/s2
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n/an/an/an/a 1.12E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315697
PNG
(((3S,4R,5R)-4-(4-chlorophenyl)-4-hydroxy-3,5-dimet...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(Cl)cc1)C(=O)[C@@H]1CN(C)C[C@H]1c1ccc(F)cc1F
Show InChI InChI=1/C25H29ClF2N2O2/c1-15-11-30(12-16(2)25(15,32)17-4-6-18(26)7-5-17)24(31)22-14-29(3)13-21(22)20-9-8-19(27)10-23(20)28/h4-10,15-16,21-22,32H,11-14H2,1-3H3/t15-,16+,21-,22+,25-/s2
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n/an/an/an/a 130n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315718
PNG
((3R,4S,5S)-1-{[(3R,4S)-1-tert-Butyl-4-(2,4-difluor...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H36F2N2O2/c1-18-14-31(15-19(2)28(18,34)20-9-7-6-8-10-20)26(33)24-17-32(27(3,4)5)16-23(24)22-12-11-21(29)13-25(22)30/h6-13,18-19,23-24,34H,14-17H2,1-5H3/t18-,19+,23-,24+,28-/s2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50315680
PNG
(((3S,4R)-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@@H]1CNC[C@H]1c1ccc(F)cc1F
Show InChI InChI=1/C24H28F2N2O2/c1-15-13-28(14-16(2)24(15,30)17-6-4-3-5-7-17)23(29)21-12-27-11-20(21)19-9-8-18(25)10-22(19)26/h3-10,15-16,20-21,27,30H,11-14H2,1-2H3/t15-,16+,20-,21+,24-/s2
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n/an/an/an/a>2.52E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC3 receptor expressed in CHO cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50315689
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1cccc(F)c1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H35F3N2O2/c1-17-13-32(14-18(2)28(17,35)19-7-6-8-20(29)11-19)26(34)24-16-33(27(3,4)5)15-23(24)22-10-9-21(30)12-25(22)31/h6-12,17-18,23-24,35H,13-16H2,1-5H3/t17-,18+,23-,24+,28-/s2
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n/an/an/an/a 570n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC3 receptor expressed in CHO cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315673
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyridazin-3-yl)...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1
Show InChI InChI=1/C28H30F2N4O2/c1-18-14-34(15-19(2)28(18,36)20-7-4-3-5-8-20)27(35)24-17-33(26-9-6-12-31-32-26)16-23(24)22-11-10-21(29)13-25(22)30/h3-13,18-19,23-24,36H,14-17H2,1-2H3/t18-,19+,23-,24+,28-/s2
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n/an/an/an/a 6n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50378747
PNG
(CHEMBL1204056)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)C1CC1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1
Show InChI InChI=1/C25H30F2N4O2/c1-15-11-31(12-16(2)25(15,33)17-5-6-17)24(32)21-14-30(23-4-3-9-28-29-23)13-20(21)19-8-7-18(26)10-22(19)27/h3-4,7-10,15-17,20-21,33H,5-6,11-14H2,1-2H3/t15-,16+,20-,21+,25-/s2
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n/an/an/an/a 4.13E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC3 receptor expressed in CHO cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50315682
PNG
(((3S,4R)-4-(2,4-difluorophenyl)-1-ethylpyrrolidin-...)
Show SMILES CCN1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1cccc(F)c1
Show InChI InChI=1/C26H31F3N2O2/c1-4-30-14-22(21-9-8-20(28)11-24(21)29)23(15-30)25(32)31-12-16(2)26(33,17(3)13-31)18-6-5-7-19(27)10-18/h5-11,16-17,22-23,33H,4,12-15H2,1-3H3/t16-,17+,22-,23+,26-/s2
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n/an/an/an/a>1.35E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC3 receptor expressed in CHO cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315686
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccn1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C27H35F2N3O2/c1-17-13-31(14-18(2)27(17,34)24-8-6-7-11-30-24)25(33)22-16-32(26(3,4)5)15-21(22)20-10-9-19(28)12-23(20)29/h6-12,17-18,21-22,34H,13-16H2,1-5H3/t17-,18+,21-,22+,27-/s2
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n/an/an/an/a 46n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50315668
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyrimidin-2-yl)...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1ncccn1
Show InChI InChI=1/C28H30F2N4O2/c1-18-14-33(15-19(2)28(18,36)20-7-4-3-5-8-20)26(35)24-17-34(27-31-11-6-12-32-27)16-23(24)22-10-9-21(29)13-25(22)30/h3-13,18-19,23-24,36H,14-17H2,1-2H3/t18-,19+,23-,24+,28-/s2
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n/an/an/an/a>2.67E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC3 receptor expressed in CHO cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315682
PNG
(((3S,4R)-4-(2,4-difluorophenyl)-1-ethylpyrrolidin-...)
Show SMILES CCN1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1cccc(F)c1
Show InChI InChI=1/C26H31F3N2O2/c1-4-30-14-22(21-9-8-20(28)11-24(21)29)23(15-30)25(32)31-12-16(2)26(33,17(3)13-31)18-6-5-7-19(27)10-18/h5-11,16-17,22-23,33H,4,12-15H2,1-3H3/t16-,17+,22-,23+,26-/s2
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n/an/an/an/a 61n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50378746
PNG
(CHEMBL1204065)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@@H]1CN(C)C[C@H]1c1ccc(F)cc1F
Show InChI InChI=1/C25H30F2N2O2/c1-16-12-29(13-17(2)25(16,31)18-7-5-4-6-8-18)24(30)22-15-28(3)14-21(22)20-10-9-19(26)11-23(20)27/h4-11,16-17,21-22,31H,12-15H2,1-3H3/t16-,17+,21-,22+,25-/s2
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n/an/an/an/a>1.91E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC3 receptor expressed in CHO cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315672
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyridazin-3-yl)...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccn1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1
Show InChI InChI=1/C27H29F2N5O2/c1-17-13-34(14-18(2)27(17,36)24-6-3-4-10-30-24)26(35)22-16-33(25-7-5-11-31-32-25)15-21(22)20-9-8-19(28)12-23(20)29/h3-12,17-18,21-22,36H,13-16H2,1-2H3/t17-,18+,21-,22+,27-/s2
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n/an/an/an/a 7n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315677
PNG
(((3R,4S)-1-cyclobutyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)C1CCC1
Show InChI InChI=1/C28H34F2N2O2/c1-18-14-32(15-19(2)28(18,34)20-7-4-3-5-8-20)27(33)25-17-31(22-9-6-10-22)16-24(25)23-12-11-21(29)13-26(23)30/h3-5,7-8,11-13,18-19,22,24-25,34H,6,9-10,14-17H2,1-2H3/t18-,19+,24-,25+,28-/s2
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n/an/an/an/a 32n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315687
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(F)cc1F)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H34F4N2O2/c1-16-12-33(13-17(2)28(16,36)23-9-7-19(30)11-25(23)32)26(35)22-15-34(27(3,4)5)14-21(22)20-8-6-18(29)10-24(20)31/h6-11,16-17,21-22,36H,12-15H2,1-5H3/t16-,17+,21-,22+,28-/s2
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n/an/an/an/a 62n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315688
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1c(F)cccc1F)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H34F4N2O2/c1-16-12-33(13-17(2)28(16,36)25-22(30)7-6-8-23(25)31)26(35)21-15-34(27(3,4)5)14-20(21)19-10-9-18(29)11-24(19)32/h6-11,16-17,20-21,36H,12-15H2,1-5H3/t16-,17+,20-,21+,28-/s2
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n/an/an/an/a 45n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50315676
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(tetrahydro-2H-p...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)C1CCOCC1
Show InChI InChI=1/C29H36F2N2O3/c1-19-15-33(16-20(2)29(19,35)21-6-4-3-5-7-21)28(34)26-18-32(23-10-12-36-13-11-23)17-25(26)24-9-8-22(30)14-27(24)31/h3-9,14,19-20,23,25-26,35H,10-13,15-18H2,1-2H3/t19-,20+,25-,26+,29-/s2
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n/an/an/an/a>2.00E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC5 receptor expressed in HEK293 cells assessed as cAMP accumulation by beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50315681
PNG
(((3S,4R)-4-(2,4-difluorophenyl)-1-isopropylpyrroli...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1ccccc1
Show InChI InChI=1/C27H34F2N2O2/c1-17(2)30-15-23(22-11-10-21(28)12-25(22)29)24(16-30)26(32)31-13-18(3)27(33,19(4)14-31)20-8-6-5-7-9-20/h5-12,17-19,23-24,33H,13-16H2,1-4H3/t18-,19+,23-,24+,27-/s2
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n/an/an/an/a 3.64E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC5 receptor expressed in HEK293 cells assessed as cAMP accumulation by beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50315678
PNG
(((3R,4S)-1-butyl-4-(2,4-difluorophenyl)pyrrolidin-...)
Show SMILES CCCCN1C[C@@H]([C@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1ccccc1
Show InChI InChI=1/C28H36F2N2O2/c1-4-5-13-31-17-24(23-12-11-22(29)14-26(23)30)25(18-31)27(33)32-15-19(2)28(34,20(3)16-32)21-9-7-6-8-10-21/h6-12,14,19-20,24-25,34H,4-5,13,15-18H2,1-3H3/t19-,20+,24-,25+,28-/s2
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n/an/an/an/a 1.10E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50315683
PNG
(((3S,4R)-4-(2,4-difluorophenyl)-1-methylpyrrolidin...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(F)cc1)C(=O)[C@@H]1CN(C)C[C@H]1c1ccc(F)cc1F
Show InChI InChI=1/C25H29F3N2O2/c1-15-11-30(12-16(2)25(15,32)17-4-6-18(26)7-5-17)24(31)22-14-29(3)13-21(22)20-9-8-19(27)10-23(20)28/h4-10,15-16,21-22,32H,11-14H2,1-3H3/t15-,16+,21-,22+,25-/s2
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n/an/an/an/a>6.15E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50315687
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(F)cc1F)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H34F4N2O2/c1-16-12-33(13-17(2)28(16,36)23-9-7-19(30)11-25(23)32)26(35)22-15-34(27(3,4)5)14-21(22)20-8-6-18(29)10-24(20)31/h6-11,16-17,21-22,36H,12-15H2,1-5H3/t16-,17+,21-,22+,28-/s2
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n/an/an/an/a 6.57E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50315688
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1c(F)cccc1F)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H34F4N2O2/c1-16-12-33(13-17(2)28(16,36)25-22(30)7-6-8-23(25)31)26(35)21-15-34(27(3,4)5)14-20(21)19-10-9-18(29)11-24(19)32/h6-11,16-17,20-21,36H,12-15H2,1-5H3/t16-,17+,20-,21+,28-/s2
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n/an/an/an/a>5.01E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50315691
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(Cl)cc1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H35ClF2N2O2/c1-17-13-32(14-18(2)28(17,35)19-6-8-20(29)9-7-19)26(34)24-16-33(27(3,4)5)15-23(24)22-11-10-21(30)12-25(22)31/h6-12,17-18,23-24,35H,13-16H2,1-5H3/t17-,18+,23-,24+,28-/s2
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n/an/an/an/a>5.88E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50378754
PNG
(CHEMBL1204058)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1cccnc1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C27H35F2N3O2/c1-17-13-31(14-18(2)27(17,34)19-7-6-10-30-12-19)25(33)23-16-32(26(3,4)5)15-22(23)21-9-8-20(28)11-24(21)29/h6-12,17-18,22-23,34H,13-16H2,1-5H3/t17-,18+,22-,23+,27-/s2
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n/an/an/an/a 3.63E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315668
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyrimidin-2-yl)...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1ncccn1
Show InChI InChI=1/C28H30F2N4O2/c1-18-14-33(15-19(2)28(18,36)20-7-4-3-5-8-20)26(35)24-17-34(27-31-11-6-12-32-27)16-23(24)22-10-9-21(29)13-25(22)30/h3-13,18-19,23-24,36H,14-17H2,1-2H3/t18-,19+,23-,24+,28-/s2
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n/an/an/an/a 243n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315713
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-isobutylpyrrolid...)
Show SMILES CC(C)CN1C[C@@H]([C@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1ccccc1
Show InChI InChI=1/C28H36F2N2O2/c1-18(2)13-31-16-24(23-11-10-22(29)12-26(23)30)25(17-31)27(33)32-14-19(3)28(34,20(4)15-32)21-8-6-5-7-9-21/h5-12,18-20,24-25,34H,13-17H2,1-4H3/t19-,20+,24-,25+,28-/s2
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n/an/an/an/a 73n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315722
PNG
(((3S,4R)-4-(2,4-difluorophenyl)-1-isopropylpyrroli...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1ccc(F)cc1
Show InChI InChI=1/C27H33F3N2O2/c1-16(2)31-14-23(22-10-9-21(29)11-25(22)30)24(15-31)26(33)32-12-17(3)27(34,18(4)13-32)19-5-7-20(28)8-6-19/h5-11,16-18,23-24,34H,12-15H2,1-4H3/t17-,18+,23-,24+,27-/s2
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n/an/an/an/a 52n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315723
PNG
(((3S,4R,5R)-4-(4-chlorophenyl)-4-hydroxy-3,5-dimet...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1ccc(Cl)cc1
Show InChI InChI=1/C27H33ClF2N2O2/c1-16(2)31-14-23(22-10-9-21(29)11-25(22)30)24(15-31)26(33)32-12-17(3)27(34,18(4)13-32)19-5-7-20(28)8-6-19/h5-11,16-18,23-24,34H,12-15H2,1-4H3/t17-,18+,23-,24+,27-/s2
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n/an/an/an/a 91n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315681
PNG
(((3S,4R)-4-(2,4-difluorophenyl)-1-isopropylpyrroli...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1ccccc1
Show InChI InChI=1/C27H34F2N2O2/c1-17(2)30-15-23(22-11-10-21(28)12-25(22)29)24(16-30)26(32)31-13-18(3)27(33,19(4)14-31)20-8-6-5-7-9-20/h5-12,17-19,23-24,33H,13-16H2,1-4H3/t18-,19+,23-,24+,27-/s2
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n/an/an/an/a 69n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315669
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyrimidin-4-yl)...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1ccncn1
Show InChI InChI=1/C28H30F2N4O2/c1-18-13-34(14-19(2)28(18,36)20-6-4-3-5-7-20)27(35)24-16-33(26-10-11-31-17-32-26)15-23(24)22-9-8-21(29)12-25(22)30/h3-12,17-19,23-24,36H,13-16H2,1-2H3/t18-,19+,23-,24+,28-/s2
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n/an/an/an/a 4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315692
PNG
(CHEMBL1090488 | CHEMBL1204059)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H36F2N2O2/c1-18-14-31(15-19(2)28(18,34)20-9-7-6-8-10-20)26(33)24-17-32(27(3,4)5)16-23(24)22-12-11-21(29)13-25(22)30/h6-13,18-19,23-24,34H,14-17H2,1-5H3/t18-,19+,23-,24+,28-/s2
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n/an/an/an/a 3.90E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50378748
PNG
(CHEMBL1204054)
Show SMILES CCC[C@]1(O)[C@@H](C)CN(C[C@H]1C)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1
Show InChI InChI=1/C25H32F2N4O2/c1-4-9-25(33)16(2)12-31(13-17(25)3)24(32)21-15-30(23-6-5-10-28-29-23)14-20(21)19-8-7-18(26)11-22(19)27/h5-8,10-11,16-17,20-21,33H,4,9,12-15H2,1-3H3/t16-,17+,20-,21+,25-/s2
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n/an/an/an/a 7.48E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC3 receptor expressed in CHO cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50315683
PNG
(((3S,4R)-4-(2,4-difluorophenyl)-1-methylpyrrolidin...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(F)cc1)C(=O)[C@@H]1CN(C)C[C@H]1c1ccc(F)cc1F
Show InChI InChI=1/C25H29F3N2O2/c1-15-11-30(12-16(2)25(15,32)17-4-6-18(26)7-5-17)24(31)22-14-29(3)13-21(22)20-9-8-19(27)10-23(20)28/h4-10,15-16,21-22,32H,11-14H2,1-3H3/t15-,16+,21-,22+,25-/s2
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n/an/an/an/a>3.34E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC3 receptor expressed in CHO cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50315678
PNG
(((3R,4S)-1-butyl-4-(2,4-difluorophenyl)pyrrolidin-...)
Show SMILES CCCCN1C[C@@H]([C@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1ccccc1
Show InChI InChI=1/C28H36F2N2O2/c1-4-5-13-31-17-24(23-12-11-22(29)14-26(23)30)25(18-31)27(33)32-15-19(2)28(34,20(3)16-32)21-9-7-6-8-10-21/h6-12,14,19-20,24-25,34H,4-5,13,15-18H2,1-3H3/t19-,20+,24-,25+,28-/s2
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n/an/an/an/a 1.43E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC5 receptor expressed in HEK293 cells assessed as cAMP accumulation by beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50378743
PNG
(CHEMBL1204061)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(F)cc1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H35F3N2O2/c1-17-13-32(14-18(2)28(17,35)19-6-8-20(29)9-7-19)26(34)24-16-33(27(3,4)5)15-23(24)22-11-10-21(30)12-25(22)31/h6-12,17-18,23-24,35H,13-16H2,1-5H3/t17-,18+,23-,24+,28-/s2
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n/an/an/an/a 3.60E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC5 receptor expressed in HEK293 cells assessed as cAMP accumulation by beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50378752
PNG
(CHEMBL1204066)
Show SMILES CCN1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1ccccc1
Show InChI InChI=1/C26H32F2N2O2/c1-4-29-15-22(21-11-10-20(27)12-24(21)28)23(16-29)25(31)30-13-17(2)26(32,18(3)14-30)19-8-6-5-7-9-19/h5-12,17-18,22-23,32H,4,13-16H2,1-3H3/t17-,18+,22-,23+,26-/s2
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n/an/an/an/a 85n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50378755
PNG
(CHEMBL1204057)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(F)c(F)c1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H34F4N2O2/c1-16-12-33(13-17(2)28(16,36)18-6-9-23(30)25(32)10-18)26(35)22-15-34(27(3,4)5)14-21(22)20-8-7-19(29)11-24(20)31/h6-11,16-17,21-22,36H,12-15H2,1-5H3/t16-,17+,21-,22+,28-/s2
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n/an/an/an/a 15n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315719
PNG
(((3S,4R)-4-(2,4-difluorophenyl)-1-isopropylpyrroli...)
Show SMILES CC(C)N1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1ccc(F)c(F)c1
Show InChI InChI=1/C27H32F4N2O2/c1-15(2)32-13-21(20-7-6-19(28)10-24(20)30)22(14-32)26(34)33-11-16(3)27(35,17(4)12-33)18-5-8-23(29)25(31)9-18/h5-10,15-17,21-22,35H,11-14H2,1-4H3/t16-,17+,21-,22+,27-/s2
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n/an/an/an/a 257n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50027432
PNG
(CHEMBL2372570)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC2=NC=NC2)NC1=O)C(N)=O
Show InChI InChI=1/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26,28,35-41,57H,3-4,10-12,16,18-25,27H2,1-2H3,(H2,51,68)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/s2
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n/an/an/an/a 0.110n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50315676
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(tetrahydro-2H-p...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)C1CCOCC1
Show InChI InChI=1/C29H36F2N2O3/c1-19-15-33(16-20(2)29(19,35)21-6-4-3-5-7-21)28(34)26-18-32(23-10-12-36-13-11-23)17-25(26)24-9-8-22(30)14-27(24)31/h3-9,14,19-20,23,25-26,35H,10-13,15-18H2,1-2H3/t19-,20+,25-,26+,29-/s2
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n/an/an/an/a>1.45E+4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC3 receptor expressed in CHO cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50315688
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1c(F)cccc1F)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H34F4N2O2/c1-16-12-33(13-17(2)28(16,36)25-22(30)7-6-8-23(25)31)26(35)21-15-34(27(3,4)5)14-20(21)19-10-9-18(29)11-24(19)32/h6-11,16-17,20-21,36H,12-15H2,1-5H3/t16-,17+,20-,21+,28-/s2
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n/an/an/an/a 4.57E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC3 receptor expressed in CHO cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50027432
PNG
(CHEMBL2372570)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC2=NC=NC2)NC1=O)C(N)=O
Show InChI InChI=1/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26,28,35-41,57H,3-4,10-12,16,18-25,27H2,1-2H3,(H2,51,68)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/s2
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n/an/an/an/a 69n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC5 receptor expressed in HEK293 cells assessed as cAMP accumulation by beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315692
PNG
(CHEMBL1090488 | CHEMBL1204059)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H36F2N2O2/c1-18-14-31(15-19(2)28(18,34)20-9-7-6-8-10-20)26(33)24-17-32(27(3,4)5)16-23(24)22-12-11-21(29)13-25(22)30/h6-13,18-19,23-24,34H,14-17H2,1-5H3/t18-,19+,23-,24+,28-/s2
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n/an/an/an/a 12n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50378743
PNG
(CHEMBL1204061)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(F)cc1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H35F3N2O2/c1-17-13-32(14-18(2)28(17,35)19-6-8-20(29)9-7-19)26(34)24-16-33(27(3,4)5)15-23(24)22-11-10-21(30)12-25(22)31/h6-12,17-18,23-24,35H,13-16H2,1-5H3/t17-,18+,23-,24+,28-/s2
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n/an/an/an/a 18n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50029747
PNG
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
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n/an/an/an/a 2.70n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC3 receptor expressed in CHO cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50027432
PNG
(CHEMBL2372570)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC2=NC=NC2)NC1=O)C(N)=O
Show InChI InChI=1/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26,28,35-41,57H,3-4,10-12,16,18-25,27H2,1-2H3,(H2,51,68)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/s2
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n/an/an/an/a 5.40n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC3 receptor expressed in CHO cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315704
PNG
(4-((3S,4R,5R)-1-((3S,4R)-1-tert-butyl-4-(2,4-diflu...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(cc1)C#N)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C29H35F2N3O2/c1-18-14-33(15-19(2)29(18,36)21-8-6-20(13-32)7-9-21)27(35)25-17-34(28(3,4)5)16-24(25)23-11-10-22(30)12-26(23)31/h6-12,18-19,24-25,36H,14-17H2,1-5H3/t18-,19+,24-,25+,29-/s2
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n/an/an/an/a 347n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50315682
PNG
(((3S,4R)-4-(2,4-difluorophenyl)-1-ethylpyrrolidin-...)
Show SMILES CCN1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1cccc(F)c1
Show InChI InChI=1/C26H31F3N2O2/c1-4-30-14-22(21-9-8-20(28)11-24(21)29)23(15-30)25(32)31-12-16(2)26(33,17(3)13-31)18-6-5-7-19(27)10-18/h5-11,16-17,22-23,33H,4,12-15H2,1-3H3/t16-,17+,22-,23+,26-/s2
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n/an/an/an/a 6.41E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC5 receptor expressed in HEK293 cells assessed as cAMP accumulation by beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50315691
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(Cl)cc1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H35ClF2N2O2/c1-17-13-32(14-18(2)28(17,35)19-6-8-20(29)9-7-19)26(34)24-16-33(27(3,4)5)15-23(24)22-11-10-21(30)12-25(22)31/h6-12,17-18,23-24,35H,13-16H2,1-5H3/t17-,18+,23-,24+,28-/s2
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n/an/an/an/a 5.19E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC5 receptor expressed in HEK293 cells assessed as cAMP accumulation by beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50315669
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyrimidin-4-yl)...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1ccncn1
Show InChI InChI=1/C28H30F2N4O2/c1-18-13-34(14-19(2)28(18,36)20-6-4-3-5-7-20)27(35)24-16-33(26-10-11-31-17-32-26)15-23(24)22-9-8-21(29)12-25(22)30/h3-12,17-19,23-24,36H,13-16H2,1-2H3/t18-,19+,23-,24+,28-/s2
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n/an/an/an/a>9.00E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50315692
PNG
(CHEMBL1090488 | CHEMBL1204059)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1/C28H36F2N2O2/c1-18-14-31(15-19(2)28(18,34)20-9-7-6-8-10-20)26(33)24-17-32(27(3,4)5)16-23(24)22-12-11-21(29)13-25(22)30/h6-13,18-19,23-24,34H,14-17H2,1-5H3/t18-,19+,23-,24+,28-/s2
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n/an/an/an/a 1.02E+3n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50378751
PNG
(CHEMBL1204067)
Show SMILES CCN1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1ccc(F)cc1
Show InChI InChI=1/C26H31F3N2O2/c1-4-30-14-22(21-10-9-20(28)11-24(21)29)23(15-30)25(32)31-12-16(2)26(33,17(3)13-31)18-5-7-19(27)8-6-18/h5-11,16-17,22-23,33H,4,12-15H2,1-3H3/t16-,17+,22-,23+,26-/s2
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n/an/an/an/a 147n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50378747
PNG
(CHEMBL1204056)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)C1CC1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1
Show InChI InChI=1/C25H30F2N4O2/c1-15-11-31(12-16(2)25(15,33)17-5-6-17)24(32)21-14-30(23-4-3-9-28-29-23)13-20(21)19-8-7-18(26)10-22(19)27/h3-4,7-10,15-17,20-21,33H,5-6,11-14H2,1-2H3/t15-,16+,20-,21+,25-/s2
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n/an/an/an/a 82n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315674
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyridin-3-yl)py...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnc1
Show InChI InChI=1/C29H31F2N3O2/c1-19-15-34(16-20(2)29(19,36)21-7-4-3-5-8-21)28(35)26-18-33(23-9-6-12-32-14-23)17-25(26)24-11-10-22(30)13-27(24)31/h3-14,19-20,25-26,36H,15-18H2,1-2H3/t19-,20+,25-,26+,29-/s2
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n/an/an/an/a 5n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315716
PNG
(((3S,4R)-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1cccc(F)c1)C(=O)[C@@H]1CNC[C@H]1c1ccc(F)cc1F
Show InChI InChI=1/C24H27F3N2O2/c1-14-12-29(13-15(2)24(14,31)16-4-3-5-17(25)8-16)23(30)21-11-28-10-20(21)19-7-6-18(26)9-22(19)27/h3-9,14-15,20-21,28,31H,10-13H2,1-2H3/t14-,15+,20-,21+,24-/s2
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n/an/an/an/a 159n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315680
PNG
(((3S,4R)-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@@H]1CNC[C@H]1c1ccc(F)cc1F
Show InChI InChI=1/C24H28F2N2O2/c1-15-13-28(14-16(2)24(15,30)17-6-4-3-5-7-17)23(29)21-12-27-11-20(21)19-9-8-18(25)10-22(19)26/h3-10,15-16,20-21,27,30H,11-14H2,1-2H3/t15-,16+,20-,21+,24-/s2
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n/an/an/an/a 462n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%