Compile Data Set for Download or QSAR
Found 1719 with Last Name = 'dowty' and Initial = 'me'
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM209866(PF-06651600 | US11111242, Example 5 | US9617258, E...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12
Affinity DataKi:  0.0269nMpH: 7.5Assay Description:Assay buffer was 20 mM HEPES, pH 7.5, 10 mM MgCl2, 0.01% BSA, 1 mM DTT, 0.0005% Tween 20, and 2% DMSO. Inactivation kinetic reactions were performed ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase TXK(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM209866(PF-06651600 | US11111242, Example 5 | US9617258, E...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12
Affinity DataKi:  0.131nMpH: 7.5Assay Description:Assay buffer was 20 mM HEPES, pH 7.5, 10 mM MgCl2, 0.01% BSA, 1 mM DTT, 0.0005% Tween 20, and 2% DMSO. Inactivation kinetic reactions were performed ...More data for this Ligand-Target Pair
TargetCytoplasmic tyrosine-protein kinase BMX(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM209866(PF-06651600 | US11111242, Example 5 | US9617258, E...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12
Affinity DataKi:  0.545nMpH: 7.5Assay Description:Assay buffer was 20 mM HEPES, pH 7.5, 10 mM MgCl2, 0.01% BSA, 1 mM DTT, 0.0005% Tween 20, and 2% DMSO. Inactivation kinetic reactions were performed ...More data for this Ligand-Target Pair
TargetMelanocyte-stimulating hormone receptor(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50191554((S)-2-acetamido-N-((R)-1-((2S,4R)-2-(3-guanidinopr...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C36H44N8O4/c1-24(45)42-32(18-29-20-39-23-41-29)34(46)43-33(17-25-8-3-2-4-9-25)35(47)44-21-31(19-30(44)12-7-15-40-36(37)38)48-22-26-13-14-27-10-5-6-11-28(27)16-26/h2-6,8-11,13-14,16,20,23,30-33H,7,12,15,17-19,21-22H2,1H3,(H,39,41)(H,42,45)(H,43,46)(H4,37,38,40)/t30-,31+,32-,33+/m0/s1
Affinity DataKi:  0.650nMAssay Description:Displacement of europium labeled NDP-alpha-MSH from human MC1R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase Tec(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM209866(PF-06651600 | US11111242, Example 5 | US9617258, E...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12
Affinity DataKi:  0.679nMpH: 7.5Assay Description:Assay buffer was 20 mM HEPES, pH 7.5, 10 mM MgCl2, 0.01% BSA, 1 mM DTT, 0.0005% Tween 20, and 2% DMSO. Inactivation kinetic reactions were performed ...More data for this Ligand-Target Pair
TargetMelanocyte-stimulating hormone receptor(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50191569((S)-2-Acetamido-N-((R)-1-((2S,4S)-2-(3-guanidinopr...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C36H44N8O4/c1-24(45)42-32(18-29-20-39-23-41-29)34(46)43-33(17-25-8-3-2-4-9-25)35(47)44-21-31(19-30(44)12-7-15-40-36(37)38)48-22-26-13-14-27-10-5-6-11-28(27)16-26/h2-6,8-11,13-14,16,20,23,30-33H,7,12,15,17-19,21-22H2,1H3,(H,39,41)(H,42,45)(H,43,46)(H4,37,38,40)/t30-,31-,32-,33+/m0/s1
Affinity DataKi:  1.30nMAssay Description:Displacement of europium labeled NDP-alpha-MSH from human MC1R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50253660(2-{3-(2-Amino-ethyl-guanidino)-4-[2-amino-3-(4-flu...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CC=NN=C(N)N)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1
Show InChI InChI=1S/C30H35FN8O3/c1-35-27(40)26(18-20-6-9-21-4-2-3-5-22(21)16-20)39-15-14-38(25(29(39)42)12-13-36-37-30(33)34)28(41)24(32)17-19-7-10-23(31)11-8-19/h2-11,13,16,24-26H,12,14-15,17-18,32H2,1H3,(H,35,40)(H4,33,34,37)/t24-,25+,26+/m1/s1
Affinity DataKi:  1.40nMAssay Description:Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanin-concentrating hormone receptor 1(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50198573((S)-1-(6-((diethylamino)methyl)-1,2,3,4-tetrahydro...)
Show SMILES CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2ccc(F)cc2)CC1=O
Show InChI InChI=1S/C27H36FN3O/c1-3-29(4-2)19-22-5-8-24-18-26(12-9-23(24)17-22)31-16-15-30(20-27(31)32)14-13-21-6-10-25(28)11-7-21/h5-8,10-11,17,26H,3-4,9,12-16,18-20H2,1-2H3/t26-/m0/s1
Affinity DataKi:  3nMAssay Description:Binding affinity at MCHR1 by flash plate radioligand binding assayMore data for this Ligand-Target Pair
TargetMelanin-concentrating hormone receptor 1(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50198574((S)-4-(4-chlorophenethyl)-1-(6-((diethylamino)-met...)
Show SMILES CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2ccc(Cl)cc2)CC1=O
Show InChI InChI=1S/C27H36ClN3O/c1-3-29(4-2)19-22-5-8-24-18-26(12-9-23(24)17-22)31-16-15-30(20-27(31)32)14-13-21-6-10-25(28)11-7-21/h5-8,10-11,17,26H,3-4,9,12-16,18-20H2,1-2H3/t26-/m0/s1
Affinity DataKi:  3.30nMAssay Description:Functional antagonism of MCH-R1 expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50253738(CHEMBL449131 | N-((R)-3-(4-Fluorophenyl)-1-((S)-4-...)
Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccncc1
Show InChI InChI=1S/C36H38FN5O4/c1-3-6-31-36(46)42(32(34(44)38-2)23-25-9-12-26-7-4-5-8-28(26)21-25)20-19-41(31)35(45)30(22-24-10-13-29(37)14-11-24)40-33(43)27-15-17-39-18-16-27/h4-5,7-18,21,30-32H,3,6,19-20,22-23H2,1-2H3,(H,38,44)(H,40,43)/t30-,31+,32+/m1/s1
Affinity DataKi:  4nMAssay Description:Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50253736(CHEMBL506272 | N-((R)-3-(4-Fluorophenyl)-1-((S)-4-...)
Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1CCC(=O)N1
Show InChI InChI=1S/C35H40FN5O5/c1-3-6-29-35(46)41(30(33(44)37-2)21-23-9-12-24-7-4-5-8-25(24)19-23)18-17-40(29)34(45)28(20-22-10-13-26(36)14-11-22)39-32(43)27-15-16-31(42)38-27/h4-5,7-14,19,27-30H,3,6,15-18,20-21H2,1-2H3,(H,37,44)(H,38,42)(H,39,43)/t27?,28-,29+,30+/m1/s1
Affinity DataKi:  4nMAssay Description:Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanin-concentrating hormone receptor 1(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50198574((S)-4-(4-chlorophenethyl)-1-(6-((diethylamino)-met...)
Show SMILES CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2ccc(Cl)cc2)CC1=O
Show InChI InChI=1S/C27H36ClN3O/c1-3-29(4-2)19-22-5-8-24-18-26(12-9-23(24)17-22)31-16-15-30(20-27(31)32)14-13-21-6-10-25(28)11-7-21/h5-8,10-11,17,26H,3-4,9,12-16,18-20H2,1-2H3/t26-/m0/s1
Affinity DataKi:  4nMAssay Description:Binding affinity at MCHR1 by flash plate radioligand binding assayMore data for this Ligand-Target Pair
TargetMelanin-concentrating hormone receptor 1(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50203064((S)-4-(4-bromophenethyl)-1-(6-((diethylamino)-meth...)
Show SMILES CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2ccc(Br)cc2)CC1=O
Show InChI InChI=1S/C27H36BrN3O/c1-3-29(4-2)19-22-5-8-24-18-26(12-9-23(24)17-22)31-16-15-30(20-27(31)32)14-13-21-6-10-25(28)11-7-21/h5-8,10-11,17,26H,3-4,9,12-16,18-20H2,1-2H3/t26-/m0/s1
Affinity DataKi:  4nMAssay Description:Binding affinity at MCHR1 by flash plate radioligand binding assayMore data for this Ligand-Target Pair
TargetMelanocyte-stimulating hormone receptor(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50191575((S)-2-acetamido-N-((R)-1-((2R,4R)-2-(3-guanidinopr...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C36H44N8O4/c1-24(45)42-32(18-29-20-39-23-41-29)34(46)43-33(17-25-8-3-2-4-9-25)35(47)44-21-31(19-30(44)12-7-15-40-36(37)38)48-22-26-13-14-27-10-5-6-11-28(27)16-26/h2-6,8-11,13-14,16,20,23,30-33H,7,12,15,17-19,21-22H2,1H3,(H,39,41)(H,42,45)(H,43,46)(H4,37,38,40)/t30-,31-,32+,33-/m1/s1
Affinity DataKi:  4.70nMAssay Description:Displacement of europium labeled NDP-alpha-MSH from human MC1R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50253748((2S)-N-((1R)-1-[(4-Fluorophenyl)methyl]-2-{(2S)-4-...)
Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CCCCN1
Show InChI InChI=1S/C36H44FN5O4/c1-3-8-31-36(46)42(32(34(44)38-2)23-25-12-15-26-9-4-5-10-27(26)21-25)20-19-41(31)35(45)30(22-24-13-16-28(37)17-14-24)40-33(43)29-11-6-7-18-39-29/h4-5,9-10,12-17,21,29-32,39H,3,6-8,11,18-20,22-23H2,1-2H3,(H,38,44)(H,40,43)/t29-,30-,31+,32+/m1/s1
Affinity DataKi:  5nMAssay Description:Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50253745((S)-2-((S)-4-((R)-3-(4-Fluorophenyl)-2-(2-(methyla...)
Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CNC
Show InChI InChI=1S/C33H40FN5O4/c1-4-7-28-33(43)39(29(31(41)36-3)20-23-10-13-24-8-5-6-9-25(24)18-23)17-16-38(28)32(42)27(37-30(40)21-35-2)19-22-11-14-26(34)15-12-22/h5-6,8-15,18,27-29,35H,4,7,16-17,19-21H2,1-3H3,(H,36,41)(H,37,40)/t27-,28+,29+/m1/s1
Affinity DataKi:  5nMAssay Description:Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50253749(CHEMBL506762 | N-((1R)-1-[(4-Fluorophenyl)methyl]-...)
Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1CCNCC1
Show InChI InChI=1S/C36H44FN5O4/c1-3-6-31-36(46)42(32(34(44)38-2)23-25-9-12-26-7-4-5-8-28(26)21-25)20-19-41(31)35(45)30(22-24-10-13-29(37)14-11-24)40-33(43)27-15-17-39-18-16-27/h4-5,7-14,21,27,30-32,39H,3,6,15-20,22-23H2,1-2H3,(H,38,44)(H,40,43)/t30-,31+,32+/m1/s1
Affinity DataKi:  5.20nMAssay Description:Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50253750((3S)-N-((1R)-1-[(4-Fluorophenyl)methyl]-2-{(2S)-4-...)
Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C40H44FN5O4/c1-3-8-35-40(50)46(36(38(48)42-2)23-27-13-16-28-9-4-5-10-29(28)21-27)20-19-45(35)39(49)34(22-26-14-17-32(41)18-15-26)44-37(47)33-24-30-11-6-7-12-31(30)25-43-33/h4-7,9-18,21,33-36,43H,3,8,19-20,22-25H2,1-2H3,(H,42,48)(H,44,47)/t33-,34+,35-,36-/m0/s1
Affinity DataKi:  5.5nMAssay Description:Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50253746((2S)-N-Methyl-2-[(3S)-4-(N-methyl-L-alanyl-4-fluor...)
Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)NC
Show InChI InChI=1S/C34H42FN5O4/c1-5-8-29-34(44)40(30(32(42)37-4)21-24-11-14-25-9-6-7-10-26(25)19-24)18-17-39(29)33(43)28(38-31(41)22(2)36-3)20-23-12-15-27(35)16-13-23/h6-7,9-16,19,22,28-30,36H,5,8,17-18,20-21H2,1-4H3,(H,37,42)(H,38,41)/t22-,28+,29-,30-/m0/s1
Affinity DataKi:  6nMAssay Description:Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50253739(CHEMBL463047 | N-((R)-3-(4-Fluorophenyl)-1-((S)-4-...)
Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccnc1
Show InChI InChI=1S/C36H38FN5O4/c1-3-7-31-36(46)42(32(34(44)38-2)22-25-11-14-26-8-4-5-9-27(26)20-25)19-18-41(31)35(45)30(21-24-12-15-29(37)16-13-24)40-33(43)28-10-6-17-39-23-28/h4-6,8-17,20,23,30-32H,3,7,18-19,21-22H2,1-2H3,(H,38,44)(H,40,43)/t30-,31+,32+/m1/s1
Affinity DataKi:  6nMAssay Description:Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

LigandPNGBDBM209866(PF-06651600 | US11111242, Example 5 | US9617258, E...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12
Affinity DataKi:  6.31nMpH: 7.5Assay Description:Assay buffer was 20 mM HEPES, pH 7.5, 10 mM MgCl2, 0.01% BSA, 1 mM DTT, 0.0005% Tween 20, and 2% DMSO. Inactivation kinetic reactions were performed ...More data for this Ligand-Target Pair
TargetMelanin-concentrating hormone receptor 1(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50203054(4'-fluoro-biphenyl-4-carboxylic acid [2-(4-dimethy...)
Show SMILES CN(C)Cc1ccc(CCN(C)C(=O)c2ccc(cc2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H27FN2O/c1-27(2)18-20-6-4-19(5-7-20)16-17-28(3)25(29)23-10-8-21(9-11-23)22-12-14-24(26)15-13-22/h4-15H,16-18H2,1-3H3
Affinity DataKi:  7nMAssay Description:Binding affinity at MCHR1 by flash plate radioligand binding assayMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50253733(2-{4-[2-Acetylamino-3-(4-fluoro-phenyl)-propionyl]...)
Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(C)=O
Show InChI InChI=1S/C32H37FN4O4/c1-4-7-28-32(41)37(29(30(39)34-3)20-23-10-13-24-8-5-6-9-25(24)18-23)17-16-36(28)31(40)27(35-21(2)38)19-22-11-14-26(33)15-12-22/h5-6,8-15,18,27-29H,4,7,16-17,19-20H2,1-3H3,(H,34,39)(H,35,38)/t27-,28+,29+/m1/s1
Affinity DataKi:  8nMAssay Description:Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50253741((S)-2-((S)-4-((R)-2-Acetamido-3-amino propan-(4-fl...)
Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)N
Show InChI InChI=1S/C34H42FN5O4/c1-5-8-28-32(43)40(29(30(41)37-4)21-23-11-14-24-9-6-7-10-25(24)19-23)18-17-39(28)31(42)27(38-33(44)34(2,3)36)20-22-12-15-26(35)16-13-22/h6-7,9-16,19,27-29H,5,8,17-18,20-21,36H2,1-4H3,(H,37,41)(H,38,44)/t27-,28+,29+/m1/s1
Affinity DataKi:  9nMAssay Description:Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanin-concentrating hormone receptor 1(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50203063((S)-4-(3-fluorophenethyl)-1-(6-((diethylamino)-met...)
Show SMILES CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2cccc(F)c2)CC1=O
Show InChI InChI=1S/C27H36FN3O/c1-3-29(4-2)19-22-8-9-24-18-26(11-10-23(24)16-22)31-15-14-30(20-27(31)32)13-12-21-6-5-7-25(28)17-21/h5-9,16-17,26H,3-4,10-15,18-20H2,1-2H3/t26-/m0/s1
Affinity DataKi:  10nMAssay Description:Binding affinity at MCHR1 by flash plate radioligand binding assayMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50191556((S)-N-((R)-1-((2S,4R)-2-(3-guanidinopropyl)-4-(nap...)
Show SMILES NC(N)=NCCC[C@H]1C[C@H](CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C38H44N6O3/c39-38(40)41-18-8-15-32-22-33(47-25-27-16-17-28-11-4-5-12-29(28)19-27)24-44(32)37(46)35(20-26-9-2-1-3-10-26)43-36(45)34-21-30-13-6-7-14-31(30)23-42-34/h1-7,9-14,16-17,19,32-35,42H,8,15,18,20-25H2,(H,43,45)(H4,39,40,41)/t32-,33+,34-,35+/m0/s1
Affinity DataKi:  10nMAssay Description:Displacement of europium labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50253743(1-Amino-N-((R)-3-(4-fluorophenyl)-1-((S)-4-((S)-1-...)
Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CCC1
Show InChI InChI=1S/C35H42FN5O4/c1-3-7-29-33(44)41(30(31(42)38-2)22-24-10-13-25-8-4-5-9-26(25)20-24)19-18-40(29)32(43)28(21-23-11-14-27(36)15-12-23)39-34(45)35(37)16-6-17-35/h4-5,8-15,20,28-30H,3,6-7,16-19,21-22,37H2,1-2H3,(H,38,42)(H,39,45)/t28-,29+,30+/m1/s1
Affinity DataKi:  11nMAssay Description:Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50189008((S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propan...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCN=C(N)N)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1
Show InChI InChI=1S/C30H36FN7O3/c1-35-27(39)26(18-20-6-9-21-4-2-3-5-22(21)16-20)38-15-14-37(25(29(38)41)12-13-36-30(33)34)28(40)24(32)17-19-7-10-23(31)11-8-19/h2-11,16,24-26H,12-15,17-18,32H2,1H3,(H,35,39)(H4,33,34,36)/t24-,25+,26+/m1/s1
Affinity DataKi:  11nMAssay Description:Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanin-concentrating hormone receptor 1(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50200748(1-(4-(piperidin-1-ylmethyl)phenethyl)-4-phenethylp...)
Show SMILES O=C1CN(CCc2ccccc2)CCN1CCc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C26H35N3O/c30-26-22-28(17-13-23-7-3-1-4-8-23)19-20-29(26)18-14-24-9-11-25(12-10-24)21-27-15-5-2-6-16-27/h1,3-4,7-12H,2,5-6,13-22H2
Affinity DataKi:  11nMAssay Description:Functional antagonism of MCH-R1 expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanin-concentrating hormone receptor 1(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50200748(1-(4-(piperidin-1-ylmethyl)phenethyl)-4-phenethylp...)
Show SMILES O=C1CN(CCc2ccccc2)CCN1CCc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C26H35N3O/c30-26-22-28(17-13-23-7-3-1-4-8-23)19-20-29(26)18-14-24-9-11-25(12-10-24)21-27-15-5-2-6-16-27/h1,3-4,7-12H,2,5-6,13-22H2
Affinity DataKi:  11nMAssay Description:Binding affinity at MCHR1 by flash plate radioligand binding assayMore data for this Ligand-Target Pair
TargetMelanin-concentrating hormone receptor 1(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50203055((S)-4-(2-fluorophenethyl)-1-(6-((diethylamino)-met...)
Show SMILES CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2ccccc2F)CC1=O
Show InChI InChI=1S/C27H36FN3O/c1-3-29(4-2)19-21-9-10-24-18-25(12-11-23(24)17-21)31-16-15-30(20-27(31)32)14-13-22-7-5-6-8-26(22)28/h5-10,17,25H,3-4,11-16,18-20H2,1-2H3/t25-/m0/s1
Affinity DataKi:  12nMAssay Description:Binding affinity at MCHR1 by flash plate radioligand binding assayMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50253747((2S)-N-((1R)-1-[(4-Fluorophenyl)methyl]-2-{(2S)-4-...)
Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1
Show InChI InChI=1S/C35H42FN5O4/c1-3-7-30-35(45)41(31(33(43)37-2)22-24-11-14-25-8-4-5-9-26(25)20-24)19-18-40(30)34(44)29(21-23-12-15-27(36)16-13-23)39-32(42)28-10-6-17-38-28/h4-5,8-9,11-16,20,28-31,38H,3,6-7,10,17-19,21-22H2,1-2H3,(H,37,43)(H,39,42)/t28-,29+,30-,31-/m0/s1
Affinity DataKi:  12nMAssay Description:Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocyte-stimulating hormone receptor(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50191580((2R,4R)-1-((R)-2-((S)-2-acetamido-3-(1H-imidazol-4...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1C(=O)NCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C36H43N9O5/c1-23(46)43-30(17-28-19-39-22-42-28)33(47)44-31(16-24-7-3-2-4-8-24)35(49)45-20-29(18-32(45)34(48)40-13-14-41-36(37)38)50-21-25-11-12-26-9-5-6-10-27(26)15-25/h2-12,15,19,22,29-32H,13-14,16-18,20-21H2,1H3,(H,39,42)(H,40,48)(H,43,46)(H,44,47)(H4,37,38,41)/t29-,30+,31-,32-/m1/s1
Affinity DataKi:  13nMAssay Description:Displacement of europium labeled NDP-alpha-MSH from human MC1R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocyte-stimulating hormone receptor(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50189018((S)-2-{(R)-2-[(S)-2-acetylamino-3-(3H-imidazol-4-y...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O
Show InChI InChI=1S/C37H46N10O5/c1-23(48)44-32(20-28-21-41-22-43-28)36(52)47-31(18-24-9-4-3-5-10-24)35(51)45-29(13-8-16-42-37(38)39)34(50)46-30(33(49)40-2)19-25-14-15-26-11-6-7-12-27(26)17-25/h3-7,9-12,14-15,17,21-22,29-32H,8,13,16,18-20H2,1-2H3,(H,40,49)(H,41,43)(H,44,48)(H,45,51)(H,46,50)(H,47,52)(H4,38,39,42)/t29-,30-,31+,32-/m0/s1
Affinity DataKi:  13nMAssay Description:Displacement of europium labeled NDP-alpha-MSH from human MC1R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50191565((S)-2-acetamido-N-((R)-1-((2R,4S)-2-(3-guanidinopr...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](C[C@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C36H44N8O4/c1-24(45)42-32(18-29-20-39-23-41-29)34(46)43-33(17-25-8-3-2-4-9-25)35(47)44-21-31(19-30(44)12-7-15-40-36(37)38)48-22-26-13-14-27-10-5-6-11-28(27)16-26/h2-6,8-11,13-14,16,20,23,30-33H,7,12,15,17-19,21-22H2,1H3,(H,39,41)(H,42,45)(H,43,46)(H4,37,38,40)/t30-,31+,32+,33-/m1/s1
Affinity DataKi:  14nMAssay Description:Displacement of europium labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50253735((2S)-2-((3S)-4-{4-Fluoro-N-[(methyloxy)acetyl]-D-p...)
Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)COC
Show InChI InChI=1S/C33H39FN4O5/c1-4-7-28-33(42)38(29(31(40)35-2)20-23-10-13-24-8-5-6-9-25(24)18-23)17-16-37(28)32(41)27(36-30(39)21-43-3)19-22-11-14-26(34)15-12-22/h5-6,8-15,18,27-29H,4,7,16-17,19-21H2,1-3H3,(H,35,40)(H,36,39)/t27-,28+,29+/m1/s1
Affinity DataKi:  14nMAssay Description:Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50253744(1-Amino-N-((R)-3-(4-fluorophenyl)-1-((S)-4-((S)-1-...)
Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CCCC1
Show InChI InChI=1S/C36H44FN5O4/c1-3-8-30-34(45)42(31(32(43)39-2)23-25-11-14-26-9-4-5-10-27(26)21-25)20-19-41(30)33(44)29(22-24-12-15-28(37)16-13-24)40-35(46)36(38)17-6-7-18-36/h4-5,9-16,21,29-31H,3,6-8,17-20,22-23,38H2,1-2H3,(H,39,43)(H,40,46)/t29-,30+,31+/m1/s1
Affinity DataKi:  14nMAssay Description:Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocyte-stimulating hormone receptor(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50191551((2R,4R)-1-((R)-2-((S)-2-amino-3-(1H-imidazol-4-yl)...)
Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1C(=O)NCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C34H41N9O4/c35-28(16-26-18-38-21-41-26)31(44)42-29(15-22-6-2-1-3-7-22)33(46)43-19-27(17-30(43)32(45)39-12-13-40-34(36)37)47-20-23-10-11-24-8-4-5-9-25(24)14-23/h1-11,14,18,21,27-30H,12-13,15-17,19-20,35H2,(H,38,41)(H,39,45)(H,42,44)(H4,36,37,40)/t27-,28+,29-,30-/m1/s1
Affinity DataKi:  15nMAssay Description:Displacement of europium labeled NDP-alpha-MSH from human MC1R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanin-concentrating hormone receptor 1(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50200742(7-(4-fluorophenethyl)-2-(4-(piperidin-1-ylmethyl)p...)
Show SMILES Fc1ccc(CCc2cc3C(=O)N(CCc4ccc(CN5CCCCC5)cc4)CCn3c2)cc1
Show InChI InChI=1S/C29H34FN3O/c30-27-12-10-23(11-13-27)6-9-26-20-28-29(34)32(18-19-33(28)22-26)17-14-24-4-7-25(8-5-24)21-31-15-2-1-3-16-31/h4-5,7-8,10-13,20,22H,1-3,6,9,14-19,21H2
Affinity DataKi:  15nMAssay Description:Functional antagonism of MCH-R1 expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanin-concentrating hormone receptor 1(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50198573((S)-1-(6-((diethylamino)methyl)-1,2,3,4-tetrahydro...)
Show SMILES CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2ccc(F)cc2)CC1=O
Show InChI InChI=1S/C27H36FN3O/c1-3-29(4-2)19-22-5-8-24-18-26(12-9-23(24)17-22)31-16-15-30(20-27(31)32)14-13-21-6-10-25(28)11-7-21/h5-8,10-11,17,26H,3-4,9,12-16,18-20H2,1-2H3/t26-/m0/s1
Affinity DataKi:  15nMAssay Description:Inhibition of binding to MCH-R1More data for this Ligand-Target Pair
TargetMelanin-concentrating hormone receptor 1(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50203059((S)-1-(6-((diethylamino)methyl)-1,2,3,4-tetrahydro...)
Show SMILES CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2ccccc2)CC1=O
Show InChI InChI=1S/C27H37N3O/c1-3-28(4-2)20-23-10-11-25-19-26(13-12-24(25)18-23)30-17-16-29(21-27(30)31)15-14-22-8-6-5-7-9-22/h5-11,18,26H,3-4,12-17,19-21H2,1-2H3/t26-/m0/s1
Affinity DataKi:  16nMAssay Description:Binding affinity at MCHR1 by flash plate radioligand binding assayMore data for this Ligand-Target Pair
TargetMelanocyte-stimulating hormone receptor(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50253749(CHEMBL506762 | N-((1R)-1-[(4-Fluorophenyl)methyl]-...)
Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1CCNCC1
Show InChI InChI=1S/C36H44FN5O4/c1-3-6-31-36(46)42(32(34(44)38-2)23-25-9-12-26-7-4-5-8-28(26)21-25)20-19-41(31)35(45)30(22-24-10-13-29(37)14-11-24)40-33(43)27-15-17-39-18-16-27/h4-5,7-14,21,27,30-32,39H,3,6,15-20,22-23H2,1-2H3,(H,38,44)(H,40,43)/t30-,31+,32+/m1/s1
Affinity DataKi:  17nMAssay Description:Agonist activity at human MC1R expressed in HEK293 cells assessed as effect on CRE-driven luminescence by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50191554((S)-2-acetamido-N-((R)-1-((2S,4R)-2-(3-guanidinopr...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C36H44N8O4/c1-24(45)42-32(18-29-20-39-23-41-29)34(46)43-33(17-25-8-3-2-4-9-25)35(47)44-21-31(19-30(44)12-7-15-40-36(37)38)48-22-26-13-14-27-10-5-6-11-28(27)16-26/h2-6,8-11,13-14,16,20,23,30-33H,7,12,15,17-19,21-22H2,1H3,(H,39,41)(H,42,45)(H,43,46)(H4,37,38,40)/t30-,31+,32-,33+/m0/s1
Affinity DataKi:  17nMAssay Description:Displacement of europium labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50191553((S)-2-acetamido-N1-((R)-1-((2S,4R)-2-(3-guanidinop...)
Show SMILES CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C35H45N7O5/c1-23(43)40-30(15-16-32(36)44)33(45)41-31(19-24-8-3-2-4-9-24)34(46)42-21-29(20-28(42)12-7-17-39-35(37)38)47-22-25-13-14-26-10-5-6-11-27(26)18-25/h2-6,8-11,13-14,18,28-31H,7,12,15-17,19-22H2,1H3,(H2,36,44)(H,40,43)(H,41,45)(H4,37,38,39)/t28-,29+,30-,31+/m0/s1
Affinity DataKi:  18nMAssay Description:Displacement of europium labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50253734(CHEMBL507876 | N-((1R)-1-[(4-Fluorophenyl)methyl]-...)
Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)C
Show InChI InChI=1S/C35H43FN4O4/c1-6-9-29-33(43)40(30(31(41)37-5)22-24-12-15-25-10-7-8-11-26(25)20-24)19-18-39(29)32(42)28(38-34(44)35(2,3)4)21-23-13-16-27(36)17-14-23/h7-8,10-17,20,28-30H,6,9,18-19,21-22H2,1-5H3,(H,37,41)(H,38,44)/t28-,29+,30+/m1/s1
Affinity DataKi:  19nMAssay Description:Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocyte-stimulating hormone receptor(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50191577((S)-N-((R)-1-((2R,4R)-2-(3-guanidinopropyl)-4-(nap...)
Show SMILES NC(N)=NCCC[C@@H]1C[C@H](CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2CN1)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C38H44N6O3/c39-38(40)41-18-8-15-32-22-33(47-25-27-16-17-28-11-4-5-12-29(28)19-27)24-44(32)37(46)35(20-26-9-2-1-3-10-26)43-36(45)34-21-30-13-6-7-14-31(30)23-42-34/h1-7,9-14,16-17,19,32-35,42H,8,15,18,20-25H2,(H,43,45)(H4,39,40,41)/t32-,33-,34?,35-/m1/s1
Affinity DataKi:  19nMAssay Description:Displacement of europium labeled NDP-alpha-MSH from human MC1R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanin-concentrating hormone receptor 1(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50203061((S)-4-(3-chlorophenethyl)-1-(6-((diethylamino)-met...)
Show SMILES CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2cccc(Cl)c2)CC1=O
Show InChI InChI=1S/C27H36ClN3O/c1-3-29(4-2)19-22-8-9-24-18-26(11-10-23(24)16-22)31-15-14-30(20-27(31)32)13-12-21-6-5-7-25(28)17-21/h5-9,16-17,26H,3-4,10-15,18-20H2,1-2H3/t26-/m0/s1
Affinity DataKi:  19nMAssay Description:Binding affinity at MCHR1 by flash plate radioligand binding assayMore data for this Ligand-Target Pair
TargetMelanin-concentrating hormone receptor 1(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50203057(4'-fluoro-biphenyl-4-carboxylic acid [2-(4-dimethy...)
Show SMILES CN(C)Cc1ccc(CCNC(=O)c2ccc(cc2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H25FN2O/c1-27(2)17-19-5-3-18(4-6-19)15-16-26-24(28)22-9-7-20(8-10-22)21-11-13-23(25)14-12-21/h3-14H,15-17H2,1-2H3,(H,26,28)
Affinity DataKi:  19nMAssay Description:Binding affinity at MCHR1 by flash plate radioligand binding assayMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50191563((S)-2-acetamido-N-((R)-1-((2S,4R)-2-(3-guanidinopr...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C39H46N6O5/c1-26(46)43-35(21-28-14-17-33(47)18-15-28)37(48)44-36(22-27-8-3-2-4-9-27)38(49)45-24-34(23-32(45)12-7-19-42-39(40)41)50-25-29-13-16-30-10-5-6-11-31(30)20-29/h2-6,8-11,13-18,20,32,34-36,47H,7,12,19,21-25H2,1H3,(H,43,46)(H,44,48)(H4,40,41,42)/t32-,34+,35-,36+/m0/s1
Affinity DataKi:  21nMAssay Description:Displacement of europium labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanin-concentrating hormone receptor 1(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50200744(CHEMBL408198 | N-(3-fluorophenyl)-4-oxo-5-(4-(pipe...)
Show SMILES Fc1cccc(NC(=O)c2cc3C(=O)N(CCc4ccc(CN5CCCCC5)cc4)CCn3n2)c1
Show InChI InChI=1S/C27H30FN5O2/c28-22-5-4-6-23(17-22)29-26(34)24-18-25-27(35)32(15-16-33(25)30-24)14-11-20-7-9-21(10-8-20)19-31-12-2-1-3-13-31/h4-10,17-18H,1-3,11-16,19H2,(H,29,34)
Affinity DataKi:  22nMAssay Description:Functional antagonism of MCH-R1 expressed in HEK293 cellsMore data for this Ligand-Target Pair
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