Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50032483 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50329956
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)c1ncnn1C |r| Show InChI InChI=1S/C35H44ClF2N5O/c1-21-14-24-27(16-29(21)36)35(17-28(24)34(5,6)32-39-20-40-41(32)7)10-12-42(13-11-35)31(44)26-19-43(33(2,3)4)18-25(26)23-9-8-22(37)15-30(23)38/h8-9,14-16,20,25-26,28H,10-13,17-19H2,1-7H3/t25-,26+,28-/m0/s1 | PDB
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| Article
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| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human MC4 receptor |
Bioorg Med Chem Lett 20: 6524-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50329959
((6-chloro-5-methyl-3-(2-(1-methyl-1H-1,2,4-triazol...)Show SMILES CN(C1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC2(C[C@@H](c3cc(C)c(Cl)cc23)C(C)(C)c2ncnn2C)CC1)C1CCOCC1 |r| Show InChI InChI=1S/C38H48ClF2N5O2/c1-23-16-30-31(20-33(23)39)38(21-32(30)37(2,3)36-42-22-43-45(36)5)10-12-46(13-11-38)35(47)29-19-26(44(4)25-8-14-48-15-9-25)18-28(29)27-7-6-24(40)17-34(27)41/h6-7,16-17,20,22,25-26,28-29,32H,8-15,18-19,21H2,1-5H3/t26?,28-,29+,32-/m0/s1 | PDB
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| n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human MC4 receptor |
Bioorg Med Chem Lett 20: 6524-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50329958
((6-chloro-5-methyl-3-(2-(1-methyl-1H-1,2,4-triazol...)Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C3CCOCC3)c2cc1Cl)C(C)(C)c1ncnn1C |r| Show InChI InChI=1S/C36H44ClF2N5O2/c1-22-15-26-29(17-31(22)37)36(18-30(26)35(2,3)34-40-21-41-42(34)4)9-11-43(12-10-36)33(45)28-20-44(24-7-13-46-14-8-24)19-27(28)25-6-5-23(38)16-32(25)39/h5-6,15-17,21,24,27-28,30H,7-14,18-20H2,1-4H3/t27-,28+,30-/m0/s1 | PDB
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| n/a | n/a | 0.840 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human MC4 receptor |
Bioorg Med Chem Lett 20: 6524-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50329957
(((3R,4R)-1-tert-butyl-3-(2,4-difluorophenyl)piperi...)Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CCN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)c1ncnn1C |r| Show InChI InChI=1S/C36H46ClF2N5O/c1-22-16-26-28(18-30(22)37)36(19-29(26)35(5,6)33-40-21-41-42(33)7)11-14-43(15-12-36)32(45)25-10-13-44(34(2,3)4)20-27(25)24-9-8-23(38)17-31(24)39/h8-9,16-18,21,25,27,29H,10-15,19-20H2,1-7H3/t25-,27+,29+/m1/s1 | PDB
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| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human MC4 receptor |
Bioorg Med Chem Lett 20: 6524-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50329961
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)Show SMILES Cc1nnc(o1)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r| Show InChI InChI=1S/C35H43ClF2N4O2/c1-20-14-24-27(16-29(20)36)35(17-28(24)34(6,7)32-40-39-21(2)44-32)10-12-41(13-11-35)31(43)26-19-42(33(3,4)5)18-25(26)23-9-8-22(37)15-30(23)38/h8-9,14-16,25-26,28H,10-13,17-19H2,1-7H3/t25-,26+,28-/m0/s1 | PDB
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| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human MC4 receptor |
Bioorg Med Chem Lett 20: 6524-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50329953
(1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl...)Show SMILES Cc1nc(no1)C(C)(C)C1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r| Show InChI InChI=1S/C35H43ClF2N4O2/c1-20-14-24-27(16-29(20)36)35(17-28(24)34(6,7)32-39-21(2)44-40-32)10-12-41(13-11-35)31(43)26-19-42(33(3,4)5)18-25(26)23-9-8-22(37)15-30(23)38/h8-9,14-16,25-26,28H,10-13,17-19H2,1-7H3/t25-,26+,28?/m0/s1 | PDB
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| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human MC4 receptor |
Bioorg Med Chem Lett 20: 6524-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50329954
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)Show SMILES Cc1cnc(o1)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r| Show InChI InChI=1S/C36H44ClF2N3O2/c1-21-14-25-28(16-30(21)37)36(17-29(25)35(6,7)33-40-18-22(2)44-33)10-12-41(13-11-36)32(43)27-20-42(34(3,4)5)19-26(27)24-9-8-23(38)15-31(24)39/h8-9,14-16,18,26-27,29H,10-13,17,19-20H2,1-7H3/t26-,27+,29-/m0/s1 | PDB
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| n/a | n/a | 9.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human MC4 receptor |
Bioorg Med Chem Lett 20: 6524-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50329955
((3-(2-(1H-1,2,3-triazol-5-yl)propan-2-yl)-6-chloro...)Show SMILES Cc1cc2C(CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)c1cnn[nH]1 |r| Show InChI InChI=1S/C34H42ClF2N5O/c1-20-13-23-26(15-28(20)35)34(16-27(23)33(5,6)30-17-38-40-39-30)9-11-41(12-10-34)31(43)25-19-42(32(2,3)4)18-24(25)22-8-7-21(36)14-29(22)37/h7-8,13-15,17,24-25,27H,9-12,16,18-19H2,1-6H3,(H,38,39,40)/t24-,25+,27?/m0/s1 | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human MC4 receptor |
Bioorg Med Chem Lett 20: 6524-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50329960
((3-(2-(1,3,4-oxadiazol-2-yl)propan-2-yl)-6-chloro-...)Show SMILES Cc1cc2C(CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)c1nnco1 |r| Show InChI InChI=1S/C34H41ClF2N4O2/c1-20-13-23-26(15-28(20)35)34(16-27(23)33(5,6)31-39-38-19-43-31)9-11-40(12-10-34)30(42)25-18-41(32(2,3)4)17-24(25)22-8-7-21(36)14-29(22)37/h7-8,13-15,19,24-25,27H,9-12,16-18H2,1-6H3/t24-,25+,27?/m0/s1 | PDB
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| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human MC4 receptor |
Bioorg Med Chem Lett 20: 6524-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50329960
((3-(2-(1,3,4-oxadiazol-2-yl)propan-2-yl)-6-chloro-...)Show SMILES Cc1cc2C(CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)c1nnco1 |r| Show InChI InChI=1S/C34H41ClF2N4O2/c1-20-13-23-26(15-28(20)35)34(16-27(23)33(5,6)31-39-38-19-43-31)9-11-40(12-10-34)30(42)25-18-41(32(2,3)4)17-24(25)22-8-7-21(36)14-29(22)37/h7-8,13-15,19,24-25,27H,9-12,16-18H2,1-6H3/t24-,25+,27?/m0/s1 | PDB
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| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human MC4 receptor |
Bioorg Med Chem Lett 20: 6524-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50329962
(CHEMBL404696 | N-((S)-1-(2-(1-((3R,4S)-1-tert-buty...)Show SMILES CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C Show InChI InChI=1S/C31H40ClF2N3O2/c1-6-29(35-19(2)38)25-15-21(32)7-9-23(25)20-11-13-36(14-12-20)30(39)27-18-37(31(3,4)5)17-26(27)24-10-8-22(33)16-28(24)34/h7-10,15-16,20,26-27,29H,6,11-14,17-18H2,1-5H3,(H,35,38)/t26-,27+,29-/m0/s1 | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human MC4 receptor |
Bioorg Med Chem Lett 20: 6524-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50329954
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)Show SMILES Cc1cnc(o1)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r| Show InChI InChI=1S/C36H44ClF2N3O2/c1-21-14-25-28(16-30(21)37)36(17-29(25)35(6,7)33-40-18-22(2)44-33)10-12-41(13-11-36)32(43)27-20-42(34(3,4)5)19-26(27)24-9-8-23(38)15-31(24)39/h8-9,14-16,18,26-27,29H,10-13,17,19-20H2,1-7H3/t26-,27+,29-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 48 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4 receptor |
Bioorg Med Chem Lett 20: 6524-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50329955
((3-(2-(1H-1,2,3-triazol-5-yl)propan-2-yl)-6-chloro...)Show SMILES Cc1cc2C(CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)c1cnn[nH]1 |r| Show InChI InChI=1S/C34H42ClF2N5O/c1-20-13-23-26(15-28(20)35)34(16-27(23)33(5,6)30-17-38-40-39-30)9-11-41(12-10-34)31(43)25-19-42(32(2,3)4)18-24(25)22-8-7-21(36)14-29(22)37/h7-8,13-15,17,24-25,27H,9-12,16,18-19H2,1-6H3,(H,38,39,40)/t24-,25+,27?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 4.20 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4 receptor |
Bioorg Med Chem Lett 20: 6524-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50329956
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)c1ncnn1C |r| Show InChI InChI=1S/C35H44ClF2N5O/c1-21-14-24-27(16-29(21)36)35(17-28(24)34(5,6)32-39-20-40-41(32)7)10-12-42(13-11-35)31(44)26-19-43(33(2,3)4)18-25(26)23-9-8-22(37)15-30(23)38/h8-9,14-16,20,25-26,28H,10-13,17-19H2,1-7H3/t25-,26+,28-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 0.230 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4 receptor |
Bioorg Med Chem Lett 20: 6524-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50329957
(((3R,4R)-1-tert-butyl-3-(2,4-difluorophenyl)piperi...)Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CCN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)c1ncnn1C |r| Show InChI InChI=1S/C36H46ClF2N5O/c1-22-16-26-28(18-30(22)37)36(19-29(26)35(5,6)33-40-21-41-42(33)7)11-14-43(15-12-36)32(45)25-10-13-44(34(2,3)4)20-27(25)24-9-8-23(38)17-31(24)39/h8-9,16-18,21,25,27,29H,10-15,19-20H2,1-7H3/t25-,27+,29+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4 receptor |
Bioorg Med Chem Lett 20: 6524-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50329960
((3-(2-(1,3,4-oxadiazol-2-yl)propan-2-yl)-6-chloro-...)Show SMILES Cc1cc2C(CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)c1nnco1 |r| Show InChI InChI=1S/C34H41ClF2N4O2/c1-20-13-23-26(15-28(20)35)34(16-27(23)33(5,6)31-39-38-19-43-31)9-11-40(12-10-34)30(42)25-18-41(32(2,3)4)17-24(25)22-8-7-21(36)14-29(22)37/h7-8,13-15,19,24-25,27H,9-12,16-18H2,1-6H3/t24-,25+,27?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 211 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4 receptor |
Bioorg Med Chem Lett 20: 6524-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50329959
((6-chloro-5-methyl-3-(2-(1-methyl-1H-1,2,4-triazol...)Show SMILES CN(C1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC2(C[C@@H](c3cc(C)c(Cl)cc23)C(C)(C)c2ncnn2C)CC1)C1CCOCC1 |r| Show InChI InChI=1S/C38H48ClF2N5O2/c1-23-16-30-31(20-33(23)39)38(21-32(30)37(2,3)36-42-22-43-45(36)5)10-12-46(13-11-38)35(47)29-19-26(44(4)25-8-14-48-15-9-25)18-28(29)27-7-6-24(40)17-34(27)41/h6-7,16-17,20,22,25-26,28-29,32H,8-15,18-19,21H2,1-5H3/t26?,28-,29+,32-/m0/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4 receptor |
Bioorg Med Chem Lett 20: 6524-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50329962
(CHEMBL404696 | N-((S)-1-(2-(1-((3R,4S)-1-tert-buty...)Show SMILES CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C Show InChI InChI=1S/C31H40ClF2N3O2/c1-6-29(35-19(2)38)25-15-21(32)7-9-23(25)20-11-13-36(14-12-20)30(39)27-18-37(31(3,4)5)17-26(27)24-10-8-22(33)16-28(24)34/h7-10,15-16,20,26-27,29H,6,11-14,17-18H2,1-5H3,(H,35,38)/t26-,27+,29-/m0/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4 receptor |
Bioorg Med Chem Lett 20: 6524-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50329960
((3-(2-(1,3,4-oxadiazol-2-yl)propan-2-yl)-6-chloro-...)Show SMILES Cc1cc2C(CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)c1nnco1 |r| Show InChI InChI=1S/C34H41ClF2N4O2/c1-20-13-23-26(15-28(20)35)34(16-27(23)33(5,6)31-39-38-19-43-31)9-11-40(12-10-34)30(42)25-18-41(32(2,3)4)17-24(25)22-8-7-21(36)14-29(22)37/h7-8,13-15,19,24-25,27H,9-12,16-18H2,1-6H3/t24-,25+,27?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 211 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4 receptor |
Bioorg Med Chem Lett 20: 6524-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50329961
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)Show SMILES Cc1nnc(o1)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r| Show InChI InChI=1S/C35H43ClF2N4O2/c1-20-14-24-27(16-29(20)36)35(17-28(24)34(6,7)32-40-39-21(2)44-32)10-12-41(13-11-35)31(43)26-19-42(33(3,4)5)18-25(26)23-9-8-22(37)15-30(23)38/h8-9,14-16,25-26,28H,10-13,17-19H2,1-7H3/t25-,26+,28-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4 receptor |
Bioorg Med Chem Lett 20: 6524-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50329953
(1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl...)Show SMILES Cc1nc(no1)C(C)(C)C1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r| Show InChI InChI=1S/C35H43ClF2N4O2/c1-20-14-24-27(16-29(20)36)35(17-28(24)34(6,7)32-39-21(2)44-40-32)10-12-41(13-11-35)31(43)26-19-42(33(3,4)5)18-25(26)23-9-8-22(37)15-30(23)38/h8-9,14-16,25-26,28H,10-13,17-19H2,1-7H3/t25-,26+,28?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4 receptor |
Bioorg Med Chem Lett 20: 6524-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50329958
((6-chloro-5-methyl-3-(2-(1-methyl-1H-1,2,4-triazol...)Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C3CCOCC3)c2cc1Cl)C(C)(C)c1ncnn1C |r| Show InChI InChI=1S/C36H44ClF2N5O2/c1-22-15-26-29(17-31(22)37)36(18-30(26)35(2,3)34-40-21-41-42(34)4)9-11-43(12-10-36)33(45)28-20-44(24-7-13-46-14-8-24)19-27(28)25-6-5-23(38)16-32(25)39/h5-6,15-17,21,24,27-28,30H,7-14,18-20H2,1-4H3/t27-,28+,30-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4 receptor |
Bioorg Med Chem Lett 20: 6524-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF |
More data for this
Ligand-Target Pair | |
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