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Compile Data Set for Download or QSAR

Found 55 hits Enz. Inhib. hit(s) with all data for entry = 50012967   
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
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
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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
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
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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
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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))
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
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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))
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
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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
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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
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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
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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))
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
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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))
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
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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
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
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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
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
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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
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
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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
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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 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
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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 (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
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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
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
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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))
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
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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 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
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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
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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
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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
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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 (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
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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
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
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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 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
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n/an/an/an/a 100n/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 (M1 and M4)


(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
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n/an/an/an/a 274n/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 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
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n/an/an/an/a 20n/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))
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
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n/an/an/an/a 20n/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))
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
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n/an/an/an/a 60n/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))
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
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n/an/an/an/a 13n/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 (M1 and M4)


(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
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n/an/an/an/a 20n/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 (M1 and M4)


(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
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n/an/an/an/a 30n/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))
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
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n/an/an/an/a 10n/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 (M1 and M4)


(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
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n/an/an/an/a 0.100n/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))
BDBM50124776
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(O)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/C38H50N12O7/c1-2-6-33(53)47-31(17-24-19-42-21-46-24)37(57)49-29(15-22-10-12-25(51)13-11-22)36(56)48-28(9-5-14-43-38(40)41)35(55)50-30(34(54)45-20-32(39)52)16-23-18-44-27-8-4-3-7-26(23)27/h3-4,7-8,10-13,18-19,21,28-31,44,51H,2,5-6,9,14-17,20H2,1H3,(H2,39,52)(H,42,46)(H,45,54)(H,47,53)(H,48,56)(H,49,57)(H,50,55)(H4,40,41,43)/t28-,29-,30-,31-/m0/s1
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n/an/an/an/a 180n/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
Melanocyte-stimulating hormone receptor


(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
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n/an/an/an/a 611n/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
Melanocyte-stimulating hormone receptor


(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
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n/an/an/an/a 10n/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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50124777
PNG
((S)-2-{(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)
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](Cc1ccc(Cl)c(Cl)c1)C(=O)NCC(N)=O
Show InChI InChI=1S/C36H47Cl2N11O6/c1-2-7-31(51)46-29(17-23-18-42-20-45-23)35(55)49-28(15-21-8-4-3-5-9-21)34(54)47-26(10-6-13-43-36(40)41)33(53)48-27(32(52)44-19-30(39)50)16-22-11-12-24(37)25(38)14-22/h3-5,8-9,11-12,14,18,20,26-29H,2,6-7,10,13,15-17,19H2,1H3,(H2,39,50)(H,42,45)(H,44,52)(H,46,51)(H,47,54)(H,48,53)(H,49,55)(H4,40,41,43)/t26-,27-,28+,29-/m0/s1
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n/an/an/an/a 1n/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 4


(Homo sapiens (Human))
BDBM50124776
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(O)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/C38H50N12O7/c1-2-6-33(53)47-31(17-24-19-42-21-46-24)37(57)49-29(15-22-10-12-25(51)13-11-22)36(56)48-28(9-5-14-43-38(40)41)35(55)50-30(34(54)45-20-32(39)52)16-23-18-44-27-8-4-3-7-26(23)27/h3-4,7-8,10-13,18-19,21,28-31,44,51H,2,5-6,9,14-17,20H2,1H3,(H2,39,52)(H,42,46)(H,45,54)(H,47,53)(H,48,56)(H,49,57)(H,50,55)(H4,40,41,43)/t28-,29-,30-,31-/m0/s1
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n/an/an/an/a 1.15E+3n/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))
BDBM50124774
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(C)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/C39H52N12O6/c1-3-7-34(53)48-32(18-26-20-43-22-47-26)38(57)50-30(16-24-13-11-23(2)12-14-24)37(56)49-29(10-6-15-44-39(41)42)36(55)51-31(35(54)46-21-33(40)52)17-25-19-45-28-9-5-4-8-27(25)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
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n/an/an/an/a 77n/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))
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
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n/an/an/an/a 150n/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 4


(Homo sapiens (Human))
BDBM50451763
PNG
(CHEMBL2112919)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1cccs1)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/C36H48N12O6S/c1-2-7-31(50)45-28(15-22-18-40-20-44-22)34(53)48-29(16-23-8-6-13-55-23)35(54)46-26(11-5-12-41-36(38)39)33(52)47-27(32(51)43-19-30(37)49)14-21-17-42-25-10-4-3-9-24(21)25/h3-4,6,8-10,13,17-18,20,26-29,42H,2,5,7,11-12,14-16,19H2,1H3,(H2,37,49)(H,40,44)(H,43,51)(H,45,50)(H,46,54)(H,47,52)(H,48,53)(H4,38,39,41)/t26-,27-,28-,29+/m0/s1
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n/an/an/an/a 8n/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 at 50 uM


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))
BDBM50124780
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](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
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n/an/an/an/a 110n/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
Melanocyte-stimulating hormone receptor


(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
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n/an/an/an/a 14n/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 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
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n/an/an/an/a 45n/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))
BDBM50451763
PNG
(CHEMBL2112919)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1cccs1)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/C36H48N12O6S/c1-2-7-31(50)45-28(15-22-18-40-20-44-22)34(53)48-29(16-23-8-6-13-55-23)35(54)46-26(11-5-12-41-36(38)39)33(52)47-27(32(51)43-19-30(37)49)14-21-17-42-25-10-4-3-9-24(21)25/h3-4,6,8-10,13,17-18,20,26-29,42H,2,5,7,11-12,14-16,19H2,1H3,(H2,37,49)(H,40,44)(H,43,51)(H,45,50)(H,46,54)(H,47,52)(H,48,53)(H4,38,39,41)/t26-,27-,28-,29+/m0/s1
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n/an/an/an/a 4n/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
Melanocyte-stimulating hormone receptor


(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
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n/an/an/an/a 54n/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
Melanocyte-stimulating hormone receptor


(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
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n/an/an/an/a 0.400n/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
Melanocyte-stimulating hormone receptor


(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
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n/an/an/an/a 48n/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 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
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n/an/an/an/a 16n/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
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