BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 260 hits with Last Name = 'yagaloff' and Initial = 'k'   
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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50184359
PNG
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)
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](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)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,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(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
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin receptor (hMC1R) using NDP-MSH as radioligand


Bioorg Med Chem Lett 13: 1307-11 (2003)


Article DOI: 10.1016/s0960-894x(03)00114-8
BindingDB Entry DOI: 10.7270/Q21J994C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50184359
PNG
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)
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](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)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,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(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
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin receptor (hMC4R) using NDP-MSH as radioligand


Bioorg Med Chem Lett 13: 1307-11 (2003)


Article DOI: 10.1016/s0960-894x(03)00114-8
BindingDB Entry DOI: 10.7270/Q21J994C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50451759
PNG
(CHEMBL2371219)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C38H48Cl2N12O6/c1-2-6-33(54)49-31(16-23-18-44-20-48-23)37(58)51-29(14-21-10-11-25(39)26(40)13-21)36(57)50-28(9-5-12-45-38(42)43)35(56)52-30(34(55)47-19-32(41)53)15-22-17-46-27-8-4-3-7-24(22)27/h3-4,7-8,10-11,13,17-18,20,28-31,46H,2,5-6,9,12,14-16,19H2,1H3,(H2,41,53)(H,44,48)(H,47,55)(H,49,54)(H,50,57)(H,51,58)(H,52,56)(H4,42,43,45)/t28-,29+,30-,31-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound was determined against hMC4R through displacement of NDP-MSH radioligand using HEK293 cells


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50174078
PNG
(1-Pentanoylamino-4-phenyl-cyclohexanecarboxylic ac...)
Show SMILES CCCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccccc1)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(N)=O
Show InChI InChI=1S/C46H60N10O6/c1-2-3-20-40(58)56-46(23-21-32(22-24-46)31-15-8-5-9-16-31)44(62)55-37(26-30-13-6-4-7-14-30)43(61)53-36(19-12-25-50-45(48)49)42(60)54-38(41(59)52-29-39(47)57)27-33-28-51-35-18-11-10-17-34(33)35/h4-11,13-18,28,32,36-38,51H,2-3,12,19-27,29H2,1H3,(H2,47,57)(H,52,59)(H,53,61)(H,54,60)(H,55,62)(H,56,58)(H4,48,49,50)/t32-,36-,37+,38-,46+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 4 receptor using radiolabeled NDP-MSH displacement


Bioorg Med Chem Lett 15: 4910-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50126087
PNG
(CHEMBL415341 | MT-II cyclic peptide derivative)
Show SMILES CCCCC(=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)C2(CCc3c(Cl)cccc3C2)NC1=O)C(N)=O
Show InChI InChI=1S/C52H67ClN12O8/c1-2-3-21-43(66)60-42-28-44(67)57-24-10-9-19-38(45(54)68)61-48(71)41(27-33-30-59-37-18-8-7-16-35(33)37)63-46(69)39(20-12-25-58-51(55)56)62-47(70)40(26-31-13-5-4-6-14-31)64-50(73)52(65-49(42)72)23-22-34-32(29-52)15-11-17-36(34)53/h4-8,11,13-18,30,38-42,59H,2-3,9-10,12,19-29H2,1H3,(H2,54,68)(H,57,67)(H,60,66)(H,61,71)(H,62,70)(H,63,69)(H,64,73)(H,65,72)(H4,55,56,58)/t38-,39+,40-,41-,42+,52?/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin receptor (hMC1R) using NDP-MSH as radioligand


Bioorg Med Chem Lett 13: 1307-11 (2003)


Article DOI: 10.1016/s0960-894x(03)00114-8
BindingDB Entry DOI: 10.7270/Q21J994C
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50124772
PNG
((S)-2-{2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-yl)-...)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(OCC)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H54N12O7/c1-3-8-35(54)49-33(19-26-21-44-23-48-26)39(58)51-31(17-24-12-14-27(15-13-24)59-4-2)38(57)50-30(11-7-16-45-40(42)43)37(56)52-32(36(55)47-22-34(41)53)18-25-20-46-29-10-6-5-9-28(25)29/h5-6,9-10,12-15,20-21,23,30-33,46H,3-4,7-8,11,16-19,22H2,1-2H3,(H2,41,53)(H,44,48)(H,47,55)(H,49,54)(H,50,57)(H,51,58)(H,52,56)(H4,42,43,45)/t30-,31+,32-,33-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound was determined against hMC1R through displacement of NDP-MSH radioligand using HEK293 cells


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50124773
PNG
((S)-2-{(S)-3-(4-Bromo-phenyl)-2-[(S)-2-butyrylamin...)
Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C38H49BrN12O6/c1-2-6-33(53)48-31(17-25-19-43-21-47-25)37(57)50-29(15-22-10-12-24(39)13-11-22)36(56)49-28(9-5-14-44-38(41)42)35(55)51-30(34(54)46-20-32(40)52)16-23-18-45-27-8-4-3-7-26(23)27/h3-4,7-8,10-13,18-19,21,28-31,45H,2,5-6,9,14-17,20H2,1H3,(H2,40,52)(H,43,47)(H,46,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)(H4,41,42,44)/t28-,29-,30-,31-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound was determined against hMC4R through displacement of NDP-MSH radioligand using HEK293 cells


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50121888
PNG
(5-Dimethylamino-2-pentanoylamino-1,2,3,4-tetrahydr...)
Show SMILES CCCCC(=O)NC1(CCc2c(C1)cccc2N(C)C)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(N)=O
Show InChI InChI=1S/C46H61N11O6/c1-4-5-20-40(59)56-46(22-21-33-30(26-46)15-11-19-38(33)57(2)3)44(63)55-36(24-29-13-7-6-8-14-29)43(62)53-35(18-12-23-50-45(48)49)42(61)54-37(41(60)52-28-39(47)58)25-31-27-51-34-17-10-9-16-32(31)34/h6-11,13-17,19,27,35-37,51H,4-5,12,18,20-26,28H2,1-3H3,(H2,47,58)(H,52,60)(H,53,62)(H,54,61)(H,55,63)(H,56,59)(H4,48,49,50)/t35-,36+,37-,46?/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin receptor hMC4R by using radioligand NDP-MSH


Bioorg Med Chem Lett 13: 133-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00830-2
BindingDB Entry DOI: 10.7270/Q2BV7H5F
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50451761
PNG
(CHEMBL2371218)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C42H52N12O6/c1-2-8-37(56)51-35(20-29-22-46-24-50-29)41(60)53-33(18-25-14-15-26-9-3-4-10-27(26)17-25)40(59)52-32(13-7-16-47-42(44)45)39(58)54-34(38(57)49-23-36(43)55)19-28-21-48-31-12-6-5-11-30(28)31/h3-6,9-12,14-15,17,21-22,24,32-35,48H,2,7-8,13,16,18-20,23H2,1H3,(H2,43,55)(H,46,50)(H,49,57)(H,51,56)(H,52,59)(H,53,60)(H,54,58)(H4,44,45,47)/t32-,33+,34-,35-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound was determined against hMC4R through displacement of NDP-MSH radioligand using HEK293 cells


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50174073
PNG
(4-(4-Ethoxy-phenyl)-1-pentanoylamino-cyclohexaneca...)
Show SMILES CCCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccc(OCC)cc1)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(N)=O
Show InChI InChI=1S/C48H64N10O7/c1-3-5-17-42(60)58-48(24-22-33(23-25-48)32-18-20-35(21-19-32)65-4-2)46(64)57-39(27-31-12-7-6-8-13-31)45(63)55-38(16-11-26-52-47(50)51)44(62)56-40(43(61)54-30-41(49)59)28-34-29-53-37-15-10-9-14-36(34)37/h6-10,12-15,18-21,29,33,38-40,53H,3-5,11,16-17,22-28,30H2,1-2H3,(H2,49,59)(H,54,61)(H,55,63)(H,56,62)(H,57,64)(H,58,60)(H4,50,51,52)/t33-,38-,39+,40-,48+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 4 receptor using radiolabeled NDP-MSH displacement


Bioorg Med Chem Lett 15: 4910-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50451762
PNG
(CHEMBL2112920)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H51N11O6/c1-2-9-35(53)48-33(21-29-22-44-24-47-29)39(57)51-32(19-25-10-4-3-5-11-25)38(56)49-30(14-8-17-45-40(42)43)37(55)50-31(36(54)46-23-34(41)52)20-26-15-16-27-12-6-7-13-28(27)18-26/h3-7,10-13,15-16,18,22,24,30-33H,2,8-9,14,17,19-21,23H2,1H3,(H2,41,52)(H,44,47)(H,46,54)(H,48,53)(H,49,56)(H,50,55)(H,51,57)(H4,42,43,45)/t30-,31-,32+,33-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Effective concentration against hMC1R using HEK293 cells was determined by measuring the cAMP accumulation


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50124775
PNG
((S)-2-[(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)
Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C39H52N12O7/c1-3-7-34(53)48-32(18-25-20-43-22-47-25)38(57)50-30(16-23-11-13-26(58-2)14-12-23)37(56)49-29(10-6-15-44-39(41)42)36(55)51-31(35(54)46-21-33(40)52)17-24-19-45-28-9-5-4-8-27(24)28/h4-5,8-9,11-14,19-20,22,29-32,45H,3,6-7,10,15-18,21H2,1-2H3,(H2,40,52)(H,43,47)(H,46,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)(H4,41,42,44)/t29-,30-,31-,32-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound was determined against hMC4R through displacement of NDP-MSH radioligand using HEK293 cells


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50124766
PNG
((S)-2-[(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)
Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C38H49ClN12O6/c1-2-6-33(53)48-31(17-25-19-43-21-47-25)37(57)50-29(15-22-10-12-24(39)13-11-22)36(56)49-28(9-5-14-44-38(41)42)35(55)51-30(34(54)46-20-32(40)52)16-23-18-45-27-8-4-3-7-26(23)27/h3-4,7-8,10-13,18-19,21,28-31,45H,2,5-6,9,14-17,20H2,1H3,(H2,40,52)(H,43,47)(H,46,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)(H4,41,42,44)/t28-,29-,30-,31-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound was determined against hMC4R through displacement of NDP-MSH radioligand using HEK293 cells


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50124772
PNG
((S)-2-{2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-yl)-...)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(OCC)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H54N12O7/c1-3-8-35(54)49-33(19-26-21-44-23-48-26)39(58)51-31(17-24-12-14-27(15-13-24)59-4-2)38(57)50-30(11-7-16-45-40(42)43)37(56)52-32(36(55)47-22-34(41)53)18-25-20-46-29-10-6-5-9-28(25)29/h5-6,9-10,12-15,20-21,23,30-33,46H,3-4,7-8,11,16-19,22H2,1-2H3,(H2,41,53)(H,44,48)(H,47,55)(H,49,54)(H,50,57)(H,51,58)(H,52,56)(H4,42,43,45)/t30-,31+,32-,33-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Effective concentration against hMC4R using HEK293 cells was determined by measuring cAMP accumulation


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50121884
PNG
(5-Bromo-2-pentanoylamino-1,2,3,4-tetrahydro-naphth...)
Show SMILES CCCCC(=O)NC1(CCc2c(Br)cccc2C1)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(N)=O
Show InChI InChI=1S/C44H55BrN10O6/c1-2-3-18-38(57)55-44(20-19-30-28(24-44)13-9-15-32(30)45)42(61)54-35(22-27-11-5-4-6-12-27)41(60)52-34(17-10-21-49-43(47)48)40(59)53-36(39(58)51-26-37(46)56)23-29-25-50-33-16-8-7-14-31(29)33/h4-9,11-16,25,34-36,50H,2-3,10,17-24,26H2,1H3,(H2,46,56)(H,51,58)(H,52,60)(H,53,59)(H,54,61)(H,55,57)(H4,47,48,49)/t34-,35+,36-,44?/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 105n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin receptor hMC4R by using radioligand NDP-MSH; not determined


Bioorg Med Chem Lett 13: 133-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00830-2
BindingDB Entry DOI: 10.7270/Q2BV7H5F
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50124775
PNG
((S)-2-[(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)
Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C39H52N12O7/c1-3-7-34(53)48-32(18-25-20-43-22-47-25)38(57)50-30(16-23-11-13-26(58-2)14-12-23)37(56)49-29(10-6-15-44-39(41)42)36(55)51-31(35(54)46-21-33(40)52)17-24-19-45-28-9-5-4-8-27(24)28/h4-5,8-9,11-14,19-20,22,29-32,45H,3,6-7,10,15-18,21H2,1-2H3,(H2,40,52)(H,43,47)(H,46,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)(H4,41,42,44)/t29-,30-,31-,32-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound was determined against hMC4R through displacement of NDP-MSH radioligand using HEK293 cells


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50121885
PNG
((S)-2-{(R)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)
Show SMILES CCCC(=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(N)=O
Show InChI InChI=1S/C38H50N12O6/c1-2-9-33(52)47-31(18-25-20-42-22-46-25)37(56)49-29(16-23-10-4-3-5-11-23)36(55)48-28(14-8-15-43-38(40)41)35(54)50-30(34(53)45-21-32(39)51)17-24-19-44-27-13-7-6-12-26(24)27/h3-7,10-13,19-20,22,28-31,44H,2,8-9,14-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,40,41,43)/t28-,29+,30-,31-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin receptor hMC4R by using radioligand NDP-MSH


Bioorg Med Chem Lett 13: 133-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00830-2
BindingDB Entry DOI: 10.7270/Q2BV7H5F
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50121888
PNG
(5-Dimethylamino-2-pentanoylamino-1,2,3,4-tetrahydr...)
Show SMILES CCCCC(=O)NC1(CCc2c(C1)cccc2N(C)C)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(N)=O
Show InChI InChI=1S/C46H61N11O6/c1-4-5-20-40(59)56-46(22-21-33-30(26-46)15-11-19-38(33)57(2)3)44(63)55-36(24-29-13-7-6-8-14-29)43(62)53-35(18-12-23-50-45(48)49)42(61)54-37(41(60)52-28-39(47)58)25-31-27-51-34-17-10-9-16-32(31)34/h6-11,13-17,19,27,35-37,51H,4-5,12,18,20-26,28H2,1-3H3,(H2,47,58)(H,52,60)(H,53,62)(H,54,61)(H,55,63)(H,56,59)(H4,48,49,50)/t35-,36+,37-,46?/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Agonist activity against human melanocortin receptor hMC1R


Bioorg Med Chem Lett 13: 133-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00830-2
BindingDB Entry DOI: 10.7270/Q2BV7H5F
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50121885
PNG
((S)-2-{(R)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)
Show SMILES CCCC(=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(N)=O
Show InChI InChI=1S/C38H50N12O6/c1-2-9-33(52)47-31(18-25-20-42-22-46-25)37(56)49-29(16-23-10-4-3-5-11-23)36(55)48-28(14-8-15-43-38(40)41)35(54)50-30(34(53)45-21-32(39)51)17-24-19-44-27-13-7-6-12-26(24)27/h3-7,10-13,19-20,22,28-31,44H,2,8-9,14-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,40,41,43)/t28-,29+,30-,31-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 4 receptor using radiolabeled NDP-MSH displacement


Bioorg Med Chem Lett 15: 4910-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50124770
PNG
((S)-2-{(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)
Show SMILES CCCC(=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(N)=O
Show InChI InChI=1S/C38H50N12O6/c1-2-9-33(52)47-31(18-25-20-42-22-46-25)37(56)49-29(16-23-10-4-3-5-11-23)36(55)48-28(14-8-15-43-38(40)41)35(54)50-30(34(53)45-21-32(39)51)17-24-19-44-27-13-7-6-12-26(24)27/h3-7,10-13,19-20,22,28-31,44H,2,8-9,14-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,40,41,43)/t28-,29-,30-,31-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound was determined against hMC4R through displacement of NDP-MSH radioligand using HEK293 cells


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50121884
PNG
(5-Bromo-2-pentanoylamino-1,2,3,4-tetrahydro-naphth...)
Show SMILES CCCCC(=O)NC1(CCc2c(Br)cccc2C1)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(N)=O
Show InChI InChI=1S/C44H55BrN10O6/c1-2-3-18-38(57)55-44(20-19-30-28(24-44)13-9-15-32(30)45)42(61)54-35(22-27-11-5-4-6-12-27)41(60)52-34(17-10-21-49-43(47)48)40(59)53-36(39(58)51-26-37(46)56)23-29-25-50-33-16-8-7-14-31(29)33/h4-9,11-16,25,34-36,50H,2-3,10,17-24,26H2,1H3,(H2,46,56)(H,51,58)(H,52,60)(H,53,59)(H,54,61)(H,55,57)(H4,47,48,49)/t34-,35+,36-,44?/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin receptor hMC4R by using radioligand NDP-MSH


Bioorg Med Chem Lett 13: 133-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00830-2
BindingDB Entry DOI: 10.7270/Q2BV7H5F
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50451759
PNG
(CHEMBL2371219)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C38H48Cl2N12O6/c1-2-6-33(54)49-31(16-23-18-44-20-48-23)37(58)51-29(14-21-10-11-25(39)26(40)13-21)36(57)50-28(9-5-12-45-38(42)43)35(56)52-30(34(55)47-19-32(41)53)15-22-17-46-27-8-4-3-7-24(22)27/h3-4,7-8,10-11,13,17-18,20,28-31,46H,2,5-6,9,12,14-16,19H2,1H3,(H2,41,53)(H,44,48)(H,47,55)(H,49,54)(H,50,57)(H,51,58)(H,52,56)(H4,42,43,45)/t28-,29+,30-,31-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound was determined against hMC1R through displacement of NDP-MSH radioligand using HEK293 cells


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50124766
PNG
((S)-2-[(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)
Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C38H49ClN12O6/c1-2-6-33(53)48-31(17-25-19-43-21-47-25)37(57)50-29(15-22-10-12-24(39)13-11-22)36(56)49-28(9-5-14-44-38(41)42)35(55)51-30(34(54)46-20-32(40)52)16-23-18-45-27-8-4-3-7-26(23)27/h3-4,7-8,10-13,18-19,21,28-31,45H,2,5-6,9,14-17,20H2,1H3,(H2,40,52)(H,43,47)(H,46,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)(H4,41,42,44)/t28-,29-,30-,31-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound was determined against hMC1R through displacement of NDP-MSH radioligand using HEK293 cells


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50124779
PNG
((S)-2-[(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)
Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cccc(c1)C(F)(F)F)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C39H49F3N12O6/c1-2-7-33(56)51-31(17-25-19-46-21-50-25)37(60)53-29(15-22-8-5-9-24(14-22)39(40,41)42)36(59)52-28(12-6-13-47-38(44)45)35(58)54-30(34(57)49-20-32(43)55)16-23-18-48-27-11-4-3-10-26(23)27/h3-5,8-11,14,18-19,21,28-31,48H,2,6-7,12-13,15-17,20H2,1H3,(H2,43,55)(H,46,50)(H,49,57)(H,51,56)(H,52,59)(H,53,60)(H,54,58)(H4,44,45,47)/t28-,29-,30-,31-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Effective concentration against hMC1R using HEK293 cells was determined by measuring the cAMP accumulation


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50124773
PNG
((S)-2-{(S)-3-(4-Bromo-phenyl)-2-[(S)-2-butyrylamin...)
Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C38H49BrN12O6/c1-2-6-33(53)48-31(17-25-19-43-21-47-25)37(57)50-29(15-22-10-12-24(39)13-11-22)36(56)49-28(9-5-14-44-38(41)42)35(55)51-30(34(54)46-20-32(40)52)16-23-18-45-27-8-4-3-7-26(23)27/h3-4,7-8,10-13,18-19,21,28-31,45H,2,5-6,9,14-17,20H2,1H3,(H2,40,52)(H,43,47)(H,46,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)(H4,41,42,44)/t28-,29-,30-,31-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound was determined against hMC4R through displacement of NDP-MSH radioligand using HEK293 cells


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50451760
PNG
(CHEMBL2371220)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C42H52N12O6/c1-2-9-37(56)51-35(20-28-22-46-24-50-28)41(60)54-34(18-26-12-7-11-25-10-3-4-13-29(25)26)40(59)52-32(16-8-17-47-42(44)45)39(58)53-33(38(57)49-23-36(43)55)19-27-21-48-31-15-6-5-14-30(27)31/h3-7,10-15,21-22,24,32-35,48H,2,8-9,16-20,23H2,1H3,(H2,43,55)(H,46,50)(H,49,57)(H,51,56)(H,52,59)(H,53,58)(H,54,60)(H4,44,45,47)/t32-,33-,34+,35-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound was determined against hMC1R through displacement of NDP-MSH radioligand using HEK293 cells


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50126085
PNG
(CHEMBL384036 | MT-II cyclic peptide derivative)
Show SMILES CCCCC(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCc3c(Cl)cccc3C2)NC1=O)C(N)=O
Show InChI InChI=1S/C52H66ClN11O9/c1-2-3-21-43(65)59-42-28-44(66)56-24-10-9-19-38(45(54)67)60-48(70)41(27-33-30-58-37-18-8-7-16-35(33)37)62-46(68)39(20-12-25-57-51(55)73)61-47(69)40(26-31-13-5-4-6-14-31)63-50(72)52(64-49(42)71)23-22-34-32(29-52)15-11-17-36(34)53/h4-8,11,13-18,30,38-42,58H,2-3,9-10,12,19-29H2,1H3,(H2,54,67)(H,56,66)(H,59,65)(H,60,70)(H,61,69)(H,62,68)(H,63,72)(H,64,71)(H3,55,57,73)/t38-,39+,40-,41-,42+,52?/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 410n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Agonist activity at human melanocortin receptor (hMC4R).


Bioorg Med Chem Lett 13: 1307-11 (2003)


Article DOI: 10.1016/s0960-894x(03)00114-8
BindingDB Entry DOI: 10.7270/Q21J994C
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50124770
PNG
((S)-2-{(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)
Show SMILES CCCC(=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(N)=O
Show InChI InChI=1S/C38H50N12O6/c1-2-9-33(52)47-31(18-25-20-42-22-46-25)37(56)49-29(16-23-10-4-3-5-11-23)36(55)48-28(14-8-15-43-38(40)41)35(54)50-30(34(53)45-21-32(39)51)17-24-19-44-27-13-7-6-12-26(24)27/h3-7,10-13,19-20,22,28-31,44H,2,8-9,14-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,40,41,43)/t28-,29-,30-,31-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 575n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Effective concentration against hMC4R using HEK293 cells was determined by measuring cAMP accumulation


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50121885
PNG
((S)-2-{(R)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)
Show SMILES CCCC(=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(N)=O
Show InChI InChI=1S/C38H50N12O6/c1-2-9-33(52)47-31(18-25-20-42-22-46-25)37(56)49-29(16-23-10-4-3-5-11-23)36(55)48-28(14-8-15-43-38(40)41)35(54)50-30(34(53)45-21-32(39)51)17-24-19-44-27-13-7-6-12-26(24)27/h3-7,10-13,19-20,22,28-31,44H,2,8-9,14-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,40,41,43)/t28-,29+,30-,31-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 580n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 1 receptor using radiolabeled NDP-MSH displacement


Bioorg Med Chem Lett 15: 4910-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50121885
PNG
((S)-2-{(R)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)
Show SMILES CCCC(=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(N)=O
Show InChI InChI=1S/C38H50N12O6/c1-2-9-33(52)47-31(18-25-20-42-22-46-25)37(56)49-29(16-23-10-4-3-5-11-23)36(55)48-28(14-8-15-43-38(40)41)35(54)50-30(34(53)45-21-32(39)51)17-24-19-44-27-13-7-6-12-26(24)27/h3-7,10-13,19-20,22,28-31,44H,2,8-9,14-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,40,41,43)/t28-,29+,30-,31-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 580n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin receptor hMC4R by using radioligand NDP-MSH; not determined


Bioorg Med Chem Lett 13: 133-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00830-2
BindingDB Entry DOI: 10.7270/Q2BV7H5F
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50124767
PNG
((S)-2-{2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-yl)-...)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H51N11O6/c1-2-10-35(53)48-33(21-28-22-44-24-47-28)39(57)50-31(19-25-11-4-3-5-12-25)38(56)49-30(17-9-18-45-40(42)43)37(55)51-32(36(54)46-23-34(41)52)20-27-15-8-14-26-13-6-7-16-29(26)27/h3-8,11-16,22,24,30-33H,2,9-10,17-21,23H2,1H3,(H2,41,52)(H,44,47)(H,46,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)(H4,42,43,45)/t30-,31+,32-,33-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Effective concentration against hMC1R using HEK293 cells was determined by measuring the cAMP accumulation


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50451762
PNG
(CHEMBL2112920)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H51N11O6/c1-2-9-35(53)48-33(21-29-22-44-24-47-29)39(57)51-32(19-25-10-4-3-5-11-25)38(56)49-30(14-8-17-45-40(42)43)37(55)50-31(36(54)46-23-34(41)52)20-26-15-16-27-12-6-7-13-28(27)18-26/h3-7,10-13,15-16,18,22,24,30-33H,2,8-9,14,17,19-21,23H2,1H3,(H2,41,52)(H,44,47)(H,46,54)(H,48,53)(H,49,56)(H,50,55)(H,51,57)(H4,42,43,45)/t30-,31-,32+,33-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound was determined against hMC1R through displacement of NDP-MSH radioligand using HEK293 cells


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50126085
PNG
(CHEMBL384036 | MT-II cyclic peptide derivative)
Show SMILES CCCCC(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCc3c(Cl)cccc3C2)NC1=O)C(N)=O
Show InChI InChI=1S/C52H66ClN11O9/c1-2-3-21-43(65)59-42-28-44(66)56-24-10-9-19-38(45(54)67)60-48(70)41(27-33-30-58-37-18-8-7-16-35(33)37)62-46(68)39(20-12-25-57-51(55)73)61-47(69)40(26-31-13-5-4-6-14-31)63-50(72)52(64-49(42)71)23-22-34-32(29-52)15-11-17-36(34)53/h4-8,11,13-18,30,38-42,58H,2-3,9-10,12,19-29H2,1H3,(H2,54,67)(H,56,66)(H,59,65)(H,60,70)(H,61,69)(H,62,68)(H,63,72)(H,64,71)(H3,55,57,73)/t38-,39+,40-,41-,42+,52?/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 675n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Agonistic activity against human melanocortin receptor (hMC4R) for cAMP accumulation


Bioorg Med Chem Lett 13: 1307-11 (2003)


Article DOI: 10.1016/s0960-894x(03)00114-8
BindingDB Entry DOI: 10.7270/Q21J994C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50124768
PNG
((S)-2-{(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)
Show SMILES CCCC(=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](Cc1csc2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C38H49N11O6S/c1-2-9-33(51)46-30(18-25-19-42-22-45-25)37(55)48-28(16-23-10-4-3-5-11-23)36(54)47-27(13-8-15-43-38(40)41)35(53)49-29(34(52)44-20-32(39)50)17-24-21-56-31-14-7-6-12-26(24)31/h3-7,10-12,14,19,21-22,27-30H,2,8-9,13,15-18,20H2,1H3,(H2,39,50)(H,42,45)(H,44,52)(H,46,51)(H,47,54)(H,48,55)(H,49,53)(H4,40,41,43)/t27-,28-,29+,30-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound was determined against hMC4R through displacement of NDP-MSH radioligand using HEK293 cells


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50124767
PNG
((S)-2-{2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-yl)-...)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H51N11O6/c1-2-10-35(53)48-33(21-28-22-44-24-47-28)39(57)50-31(19-25-11-4-3-5-12-25)38(56)49-30(17-9-18-45-40(42)43)37(55)51-32(36(54)46-23-34(41)52)20-27-15-8-14-26-13-6-7-16-29(26)27/h3-8,11-16,22,24,30-33H,2,9-10,17-21,23H2,1H3,(H2,41,52)(H,44,47)(H,46,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)(H4,42,43,45)/t30-,31+,32-,33-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound was determined against hMC4R through displacement of NDP-MSH radioligand using HEK293 cells


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50124768
PNG
((S)-2-{(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)
Show SMILES CCCC(=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](Cc1csc2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C38H49N11O6S/c1-2-9-33(51)46-30(18-25-19-42-22-45-25)37(55)48-28(16-23-10-4-3-5-11-23)36(54)47-27(13-8-15-43-38(40)41)35(53)49-29(34(52)44-20-32(39)50)17-24-21-56-31-14-7-6-12-26(24)31/h3-7,10-12,14,19,21-22,27-30H,2,8-9,13,15-18,20H2,1H3,(H2,39,50)(H,42,45)(H,44,52)(H,46,51)(H,47,54)(H,48,55)(H,49,53)(H4,40,41,43)/t27-,28-,29+,30-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.88E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound was determined against hMC1R through displacement of NDP-MSH radioligand using HEK293 cells


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50451760
PNG
(CHEMBL2371220)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C42H52N12O6/c1-2-9-37(56)51-35(20-28-22-46-24-50-28)41(60)54-34(18-26-12-7-11-25-10-3-4-13-29(25)26)40(59)52-32(16-8-17-47-42(44)45)39(58)53-33(38(57)49-23-36(43)55)19-27-21-48-31-15-6-5-14-30(27)31/h3-7,10-15,21-22,24,32-35,48H,2,8-9,16-20,23H2,1H3,(H2,43,55)(H,46,50)(H,49,57)(H,51,56)(H,52,59)(H,53,58)(H,54,60)(H4,44,45,47)/t32-,33-,34+,35-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound was determined against hMC1R through displacement of NDP-MSH radioligand using HEK293 cells


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50121885
PNG
((S)-2-{(R)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)
Show SMILES CCCC(=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(N)=O
Show InChI InChI=1S/C38H50N12O6/c1-2-9-33(52)47-31(18-25-20-42-22-46-25)37(56)49-29(16-23-10-4-3-5-11-23)36(55)48-28(14-8-15-43-38(40)41)35(54)50-30(34(53)45-21-32(39)51)17-24-19-44-27-13-7-6-12-26(24)27/h3-7,10-13,19-20,22,28-31,44H,2,8-9,14-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,40,41,43)/t28-,29+,30-,31-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 3 receptor using radiolabeled NDP-MSH displacement


Bioorg Med Chem Lett 15: 4910-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50121885
PNG
((S)-2-{(R)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)
Show SMILES CCCC(=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(N)=O
Show InChI InChI=1S/C38H50N12O6/c1-2-9-33(52)47-31(18-25-20-42-22-46-25)37(56)49-29(16-23-10-4-3-5-11-23)36(55)48-28(14-8-15-43-38(40)41)35(54)50-30(34(53)45-21-32(39)51)17-24-19-44-27-13-7-6-12-26(24)27/h3-7,10-13,19-20,22,28-31,44H,2,8-9,14-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,40,41,43)/t28-,29+,30-,31-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin receptor hMC3R by using radioligand NDP-MSH


Bioorg Med Chem Lett 13: 133-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00830-2
BindingDB Entry DOI: 10.7270/Q2BV7H5F
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50174073
PNG
(4-(4-Ethoxy-phenyl)-1-pentanoylamino-cyclohexaneca...)
Show SMILES CCCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccc(OCC)cc1)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(N)=O
Show InChI InChI=1S/C48H64N10O7/c1-3-5-17-42(60)58-48(24-22-33(23-25-48)32-18-20-35(21-19-32)65-4-2)46(64)57-39(27-31-12-7-6-8-13-31)45(63)55-38(16-11-26-52-47(50)51)44(62)56-40(43(61)54-30-41(49)59)28-34-29-53-37-15-10-9-14-36(34)37/h6-10,12-15,18-21,29,33,38-40,53H,3-5,11,16-17,22-28,30H2,1-2H3,(H2,49,59)(H,54,61)(H,55,63)(H,56,62)(H,57,64)(H,58,60)(H4,50,51,52)/t33-,38-,39+,40-,48+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 1 receptor using radiolabeled NDP-MSH displacement


Bioorg Med Chem Lett 15: 4910-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50121884
PNG
(5-Bromo-2-pentanoylamino-1,2,3,4-tetrahydro-naphth...)
Show SMILES CCCCC(=O)NC1(CCc2c(Br)cccc2C1)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(N)=O
Show InChI InChI=1S/C44H55BrN10O6/c1-2-3-18-38(57)55-44(20-19-30-28(24-44)13-9-15-32(30)45)42(61)54-35(22-27-11-5-4-6-12-27)41(60)52-34(17-10-21-49-43(47)48)40(59)53-36(39(58)51-26-37(46)56)23-29-25-50-33-16-8-7-14-31(29)33/h4-9,11-16,25,34-36,50H,2-3,10,17-24,26H2,1H3,(H2,46,56)(H,51,58)(H,52,60)(H,53,59)(H,54,61)(H,55,57)(H4,47,48,49)/t34-,35+,36-,44?/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Agonist activity against human melanocortin receptor hMC4R


Bioorg Med Chem Lett 13: 133-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00830-2
BindingDB Entry DOI: 10.7270/Q2BV7H5F
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50451761
PNG
(CHEMBL2371218)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C42H52N12O6/c1-2-8-37(56)51-35(20-29-22-46-24-50-29)41(60)53-33(18-25-14-15-26-9-3-4-10-27(26)17-25)40(59)52-32(13-7-16-47-42(44)45)39(58)54-34(38(57)49-23-36(43)55)19-28-21-48-31-12-6-5-11-30(28)31/h3-6,9-12,14-15,17,21-22,24,32-35,48H,2,7-8,13,16,18-20,23H2,1H3,(H2,43,55)(H,46,50)(H,49,57)(H,51,56)(H,52,59)(H,53,60)(H,54,58)(H4,44,45,47)/t32-,33+,34-,35-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound was determined against hMC4R through displacement of NDP-MSH radioligand using HEK293 cells


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50121884
PNG
(5-Bromo-2-pentanoylamino-1,2,3,4-tetrahydro-naphth...)
Show SMILES CCCCC(=O)NC1(CCc2c(Br)cccc2C1)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(N)=O
Show InChI InChI=1S/C44H55BrN10O6/c1-2-3-18-38(57)55-44(20-19-30-28(24-44)13-9-15-32(30)45)42(61)54-35(22-27-11-5-4-6-12-27)41(60)52-34(17-10-21-49-43(47)48)40(59)53-36(39(58)51-26-37(46)56)23-29-25-50-33-16-8-7-14-31(29)33/h4-9,11-16,25,34-36,50H,2-3,10,17-24,26H2,1H3,(H2,46,56)(H,51,58)(H,52,60)(H,53,59)(H,54,61)(H,55,57)(H4,47,48,49)/t34-,35+,36-,44?/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.10E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin receptor hMC1R by using radioligand NDP-MSH


Bioorg Med Chem Lett 13: 133-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00830-2
BindingDB Entry DOI: 10.7270/Q2BV7H5F
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50126087
PNG
(CHEMBL415341 | MT-II cyclic peptide derivative)
Show SMILES CCCCC(=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)C2(CCc3c(Cl)cccc3C2)NC1=O)C(N)=O
Show InChI InChI=1S/C52H67ClN12O8/c1-2-3-21-43(66)60-42-28-44(67)57-24-10-9-19-38(45(54)68)61-48(71)41(27-33-30-59-37-18-8-7-16-35(33)37)63-46(69)39(20-12-25-58-51(55)56)62-47(70)40(26-31-13-5-4-6-14-31)64-50(73)52(65-49(42)72)23-22-34-32(29-52)15-11-17-36(34)53/h4-8,11,13-18,30,38-42,59H,2-3,9-10,12,19-29H2,1H3,(H2,54,68)(H,57,67)(H,60,66)(H,61,71)(H,62,70)(H,63,69)(H,64,73)(H,65,72)(H4,55,56,58)/t38-,39+,40-,41-,42+,52?/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.82E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin receptor (hMC1R) using NDP-MSH as radioligand


Bioorg Med Chem Lett 13: 1307-11 (2003)


Article DOI: 10.1016/s0960-894x(03)00114-8
BindingDB Entry DOI: 10.7270/Q21J994C
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50174078
PNG
(1-Pentanoylamino-4-phenyl-cyclohexanecarboxylic ac...)
Show SMILES CCCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccccc1)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(N)=O
Show InChI InChI=1S/C46H60N10O6/c1-2-3-20-40(58)56-46(23-21-32(22-24-46)31-15-8-5-9-16-31)44(62)55-37(26-30-13-6-4-7-14-30)43(61)53-36(19-12-25-50-45(48)49)42(60)54-38(41(59)52-29-39(47)57)27-33-28-51-35-18-11-10-17-34(33)35/h4-11,13-18,28,32,36-38,51H,2-3,12,19-27,29H2,1H3,(H2,47,57)(H,52,59)(H,53,61)(H,54,60)(H,55,62)(H,56,58)(H4,48,49,50)/t32-,36-,37+,38-,46+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.10E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 1 receptor using radiolabeled NDP-MSH displacement


Bioorg Med Chem Lett 15: 4910-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50124779
PNG
((S)-2-[(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)
Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cccc(c1)C(F)(F)F)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C39H49F3N12O6/c1-2-7-33(56)51-31(17-25-19-46-21-50-25)37(60)53-29(15-22-8-5-9-24(14-22)39(40,41)42)36(59)52-28(12-6-13-47-38(44)45)35(58)54-30(34(57)49-20-32(43)55)16-23-18-48-27-11-4-3-10-26(23)27/h3-5,8-11,14,18-19,21,28-31,48H,2,6-7,12-13,15-17,20H2,1H3,(H2,43,55)(H,46,50)(H,49,57)(H,51,56)(H,52,59)(H,53,60)(H,54,58)(H4,44,45,47)/t28-,29-,30-,31-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.60E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Effective concentration against hMC1R using HEK293 cells was determined by measuring the cAMP accumulation


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50121885
PNG
((S)-2-{(R)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)
Show SMILES CCCC(=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(N)=O
Show InChI InChI=1S/C38H50N12O6/c1-2-9-33(52)47-31(18-25-20-42-22-46-25)37(56)49-29(16-23-10-4-3-5-11-23)36(55)48-28(14-8-15-43-38(40)41)35(54)50-30(34(53)45-21-32(39)51)17-24-19-44-27-13-7-6-12-26(24)27/h3-7,10-13,19-20,22,28-31,44H,2,8-9,14-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,40,41,43)/t28-,29+,30-,31-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 5 receptor using radiolabeled NDP-MSH displacement


Bioorg Med Chem Lett 15: 4910-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50126085
PNG
(CHEMBL384036 | MT-II cyclic peptide derivative)
Show SMILES CCCCC(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCc3c(Cl)cccc3C2)NC1=O)C(N)=O
Show InChI InChI=1S/C52H66ClN11O9/c1-2-3-21-43(65)59-42-28-44(66)56-24-10-9-19-38(45(54)67)60-48(70)41(27-33-30-58-37-18-8-7-16-35(33)37)62-46(68)39(20-12-25-57-51(55)73)61-47(69)40(26-31-13-5-4-6-14-31)63-50(72)52(64-49(42)71)23-22-34-32(29-52)15-11-17-36(34)53/h4-8,11,13-18,30,38-42,58H,2-3,9-10,12,19-29H2,1H3,(H2,54,67)(H,56,66)(H,59,65)(H,60,70)(H,61,69)(H,62,68)(H,63,72)(H,64,71)(H3,55,57,73)/t38-,39+,40-,41-,42+,52?/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.31E+4n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin receptor (hMC1R) using NDP-MSH as radioligand


Bioorg Med Chem Lett 13: 1307-11 (2003)


Article DOI: 10.1016/s0960-894x(03)00114-8
BindingDB Entry DOI: 10.7270/Q21J994C
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50121885
PNG
((S)-2-{(R)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)
Show SMILES CCCC(=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(N)=O
Show InChI InChI=1S/C38H50N12O6/c1-2-9-33(52)47-31(18-25-20-42-22-46-25)37(56)49-29(16-23-10-4-3-5-11-23)36(55)48-28(14-8-15-43-38(40)41)35(54)50-30(34(53)45-21-32(39)51)17-24-19-44-27-13-7-6-12-26(24)27/h3-7,10-13,19-20,22,28-31,44H,2,8-9,14-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,40,41,43)/t28-,29+,30-,31-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.33E+4n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin receptor hMC5R by using radioligand NDP-MSH


Bioorg Med Chem Lett 13: 133-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00830-2
BindingDB Entry DOI: 10.7270/Q2BV7H5F
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50126085
PNG
(CHEMBL384036 | MT-II cyclic peptide derivative)
Show SMILES CCCCC(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCc3c(Cl)cccc3C2)NC1=O)C(N)=O
Show InChI InChI=1S/C52H66ClN11O9/c1-2-3-21-43(65)59-42-28-44(66)56-24-10-9-19-38(45(54)67)60-48(70)41(27-33-30-58-37-18-8-7-16-35(33)37)62-46(68)39(20-12-25-57-51(55)73)61-47(69)40(26-31-13-5-4-6-14-31)63-50(72)52(64-49(42)71)23-22-34-32(29-52)15-11-17-36(34)53/h4-8,11,13-18,30,38-42,58H,2-3,9-10,12,19-29H2,1H3,(H2,54,67)(H,56,66)(H,59,65)(H,60,70)(H,61,69)(H,62,68)(H,63,72)(H,64,71)(H3,55,57,73)/t38-,39+,40-,41-,42+,52?/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.48E+4n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Agonistic activity against human melanocortin receptor (hMC1R) for cAMP accumulation


Bioorg Med Chem Lett 13: 1307-11 (2003)


Article DOI: 10.1016/s0960-894x(03)00114-8
BindingDB Entry DOI: 10.7270/Q21J994C
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 260 total )  |  Next  |  Last  >>
Jump to: