Found 27 hits of Enzyme Inhibition Constant Data 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 |
|---|
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192623
(3-((1R,4R,6R)-4-((5,6-dichloro-1H-benzo[d]imidazol...)Show SMILES CS(=O)(=O)N1CCC(CN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(c2)C#N)c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 Show InChI InChI=1S/C28H31Cl2N5O2S/c1-38(36,37)34-9-6-18(7-10-34)17-35(27-32-25-13-23(29)24(30)14-26(25)33-27)22-5-8-28(15-21(28)12-22)20-4-2-3-19(11-20)16-31/h2-4,11,13-14,18,21-22H,5-10,12,15,17H2,1H3,(H,32,33)/t21-,22+,28+/m0/s1 | Reactome pathway
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding activity against human MCH-R1 |
Bioorg Med Chem Lett 16: 5427-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.058
BindingDB Entry DOI: 10.7270/Q228076K |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192637
(3-((1R,4R,6R)-4-((5,6-dichloro-1H-benzo[d]imidazol...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(c2)C#N)c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 Show InChI InChI=1S/C29H34Cl2N6/c1-35-10-12-36(13-11-35)8-3-9-37(28-33-26-16-24(30)25(31)17-27(26)34-28)23-6-7-29(18-22(29)15-23)21-5-2-4-20(14-21)19-32/h2,4-5,14,16-17,22-23H,3,6-13,15,18H2,1H3,(H,33,34)/t22-,23+,29+/m0/s1 | Reactome pathway
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding activity against human MCH-R1 |
Bioorg Med Chem Lett 16: 5427-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.058
BindingDB Entry DOI: 10.7270/Q228076K |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192633
(3-((1R,4R,6R)-4-((5,6-dichloro-1H-benzo[d]imidazol...)Show SMILES Clc1cc2nc([nH]c2cc1Cl)N(CN1CCCCC1)[C@@H]1CC[C@@]2(C[C@@H]2C1)c1cccc(c1)C#N Show InChI InChI=1S/C27H29Cl2N5/c28-22-13-24-25(14-23(22)29)32-26(31-24)34(17-33-9-2-1-3-10-33)21-7-8-27(15-20(27)12-21)19-6-4-5-18(11-19)16-30/h4-6,11,13-14,20-21H,1-3,7-10,12,15,17H2,(H,31,32)/t20-,21+,27+/m0/s1 | Reactome pathway
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding activity against human MCH-R1 |
Bioorg Med Chem Lett 16: 5427-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.058
BindingDB Entry DOI: 10.7270/Q228076K |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192617
(5,6-dichloro-N-((1R,3R,6R)-6-(3-((dimethylamino)me...)Show SMILES CN(C)Cc1cccc(c1)[C@@]12C[C@@H]1C[C@@H](CC2)N(CCCN1CCN(C)CC1)c1nc2cc(Cl)c(Cl)cc2[nH]1 Show InChI InChI=1S/C31H42Cl2N6/c1-36(2)21-22-6-4-7-23(16-22)31-9-8-25(17-24(31)20-31)39(11-5-10-38-14-12-37(3)13-15-38)30-34-28-18-26(32)27(33)19-29(28)35-30/h4,6-7,16,18-19,24-25H,5,8-15,17,20-21H2,1-3H3,(H,34,35)/t24-,25+,31+/m0/s1 | Reactome pathway
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| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding activity against human MCH-R1 |
Bioorg Med Chem Lett 16: 5427-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.058
BindingDB Entry DOI: 10.7270/Q228076K |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192638
(4-((1S,4R,5S)-4-((6-chloro-5-fluoro-1H-benzo[d]imi...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(cc2)C#N)c2nc3cc(Cl)c(F)cc3[nH]2)CC1 Show InChI InChI=1S/C28H32ClFN6/c1-34-11-13-35(14-12-34)9-2-10-36(27-32-24-15-22(29)23(30)16-25(24)33-27)26-7-8-28(17-21(26)28)20-5-3-19(18-31)4-6-20/h3-6,15-16,21,26H,2,7-14,17H2,1H3,(H,32,33)/t21-,26-,28-/m1/s1 | Reactome pathway
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| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding activity against human MCH-R1 |
Bioorg Med Chem Lett 16: 5427-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.058
BindingDB Entry DOI: 10.7270/Q228076K |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192622
(3-((1S,4R,5S)-4-((6-chloro-5-fluoro-1H-benzo[d]imi...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2cccc(c2)C#N)c2nc3cc(Cl)c(F)cc3[nH]2)CC1 Show InChI InChI=1S/C28H32ClFN6/c1-34-10-12-35(13-11-34)8-3-9-36(27-32-24-15-22(29)23(30)16-25(24)33-27)26-6-7-28(17-21(26)28)20-5-2-4-19(14-20)18-31/h2,4-5,14-16,21,26H,3,6-13,17H2,1H3,(H,32,33)/t21-,26-,28-/m1/s1 | Reactome pathway
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| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding activity against human MCH-R1 |
Bioorg Med Chem Lett 16: 5427-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.058
BindingDB Entry DOI: 10.7270/Q228076K |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192636
(3-((1R,4R,6R)-4-((6-chloro-5-fluoro-1H-benzo[d]imi...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(c2)C#N)c2nc3cc(Cl)c(F)cc3[nH]2)CC1 Show InChI InChI=1S/C29H34ClFN6/c1-35-10-12-36(13-11-35)8-3-9-37(28-33-26-16-24(30)25(31)17-27(26)34-28)23-6-7-29(18-22(29)15-23)21-5-2-4-20(14-21)19-32/h2,4-5,14,16-17,22-23H,3,6-13,15,18H2,1H3,(H,33,34)/t22-,23+,29+/m0/s1 | Reactome pathway
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| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding activity against human MCH-R1 |
Bioorg Med Chem Lett 16: 5427-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.058
BindingDB Entry DOI: 10.7270/Q228076K |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192632
(3-((1R,4R,6R)-4-((6-chloro-5-fluoro-1H-benzo[d]imi...)Show SMILES CS(=O)(=O)N1CCC(CN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(c2)C#N)c2nc3cc(Cl)c(F)cc3[nH]2)CC1 Show InChI InChI=1S/C28H31ClFN5O2S/c1-38(36,37)34-9-6-18(7-10-34)17-35(27-32-25-13-23(29)24(30)14-26(25)33-27)22-5-8-28(15-21(28)12-22)20-4-2-3-19(11-20)16-31/h2-4,11,13-14,18,21-22H,5-10,12,15,17H2,1H3,(H,32,33)/t21-,22+,28+/m0/s1 | Reactome pathway
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| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding activity against human MCH-R1 |
Bioorg Med Chem Lett 16: 5427-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.058
BindingDB Entry DOI: 10.7270/Q228076K |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192619
(3-((1S,4R,5S)-4-((5,6-dichloro-1H-benzo[d]imidazol...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2cccc(c2)C#N)c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 Show InChI InChI=1S/C28H32Cl2N6/c1-34-10-12-35(13-11-34)8-3-9-36(27-32-24-15-22(29)23(30)16-25(24)33-27)26-6-7-28(17-21(26)28)20-5-2-4-19(14-20)18-31/h2,4-5,14-16,21,26H,3,6-13,17H2,1H3,(H,32,33)/t21-,26-,28-/m1/s1 | Reactome pathway
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| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding activity against human MCH-R1 |
Bioorg Med Chem Lett 16: 5427-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.058
BindingDB Entry DOI: 10.7270/Q228076K |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192629
(3-((1R,4R,6R)-4-((5,6-difluoro-1H-benzo[d]imidazol...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(c2)C#N)c2nc3cc(F)c(F)cc3[nH]2)CC1 Show InChI InChI=1S/C29H34F2N6/c1-35-10-12-36(13-11-35)8-3-9-37(28-33-26-16-24(30)25(31)17-27(26)34-28)23-6-7-29(18-22(29)15-23)21-5-2-4-20(14-21)19-32/h2,4-5,14,16-17,22-23H,3,6-13,15,18H2,1H3,(H,33,34)/t22-,23+,29+/m0/s1 | Reactome pathway
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| 8.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding activity against human MCH-R1 |
Bioorg Med Chem Lett 16: 5427-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.058
BindingDB Entry DOI: 10.7270/Q228076K |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192628
(4-((1S,4R,5S)-4-((5-fluoro-6-(trifluoromethyl)-1H-...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(cc2)C#N)c2nc3cc(c(F)cc3[nH]2)C(F)(F)F)CC1 Show InChI InChI=1S/C29H32F4N6/c1-37-11-13-38(14-12-37)9-2-10-39(27-35-24-15-21(29(31,32)33)23(30)16-25(24)36-27)26-7-8-28(17-22(26)28)20-5-3-19(18-34)4-6-20/h3-6,15-16,22,26H,2,7-14,17H2,1H3,(H,35,36)/t22-,26-,28-/m1/s1 | Reactome pathway
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| 8.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding activity against human MCH-R1 |
Bioorg Med Chem Lett 16: 5427-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.058
BindingDB Entry DOI: 10.7270/Q228076K |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192625
(4-((1S,4R,5S)-4-((5,6-dichloro-1H-benzo[d]imidazol...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(cc2)C#N)c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 Show InChI InChI=1S/C28H32Cl2N6/c1-34-11-13-35(14-12-34)9-2-10-36(27-32-24-15-22(29)23(30)16-25(24)33-27)26-7-8-28(17-21(26)28)20-5-3-19(18-31)4-6-20/h3-6,15-16,21,26H,2,7-14,17H2,1H3,(H,32,33)/t21-,26-,28-/m1/s1 | Reactome pathway
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding activity against human MCH-R1 |
Bioorg Med Chem Lett 16: 5427-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.058
BindingDB Entry DOI: 10.7270/Q228076K |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192620
(5,6-dichloro-N-(3-(4-methylpiperazin-1-yl)propyl)-...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(CN3CCOCC3)c2)c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 Show InChI InChI=1S/C33H44Cl2N6O/c1-38-10-12-39(13-11-38)8-3-9-41(32-36-30-20-28(34)29(35)21-31(30)37-32)27-6-7-33(22-26(33)19-27)25-5-2-4-24(18-25)23-40-14-16-42-17-15-40/h2,4-5,18,20-21,26-27H,3,6-17,19,22-23H2,1H3,(H,36,37)/t26-,27+,33+/m0/s1 | Reactome pathway
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding activity against human MCH-R1 |
Bioorg Med Chem Lett 16: 5427-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.058
BindingDB Entry DOI: 10.7270/Q228076K |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192630
(3-((1R,4R,6R)-4-((5,6-dichloro-1H-benzo[d]imidazol...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(C=O)c2)c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 Show InChI InChI=1S/C29H35Cl2N5O/c1-34-10-12-35(13-11-34)8-3-9-36(28-32-26-16-24(30)25(31)17-27(26)33-28)23-6-7-29(18-22(29)15-23)21-5-2-4-20(14-21)19-37/h2,4-5,14,16-17,19,22-23H,3,6-13,15,18H2,1H3,(H,32,33)/t22-,23+,29+/m0/s1 | Reactome pathway
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding activity against human MCH-R1 |
Bioorg Med Chem Lett 16: 5427-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.058
BindingDB Entry DOI: 10.7270/Q228076K |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192624
(3-((1R,4R,6R)-4-((5,6-difluoro-1H-benzo[d]imidazol...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(C=O)c2)c2nc3cc(F)c(F)cc3[nH]2)CC1 Show InChI InChI=1S/C29H35F2N5O/c1-34-10-12-35(13-11-34)8-3-9-36(28-32-26-16-24(30)25(31)17-27(26)33-28)23-6-7-29(18-22(29)15-23)21-5-2-4-20(14-21)19-37/h2,4-5,14,16-17,19,22-23H,3,6-13,15,18H2,1H3,(H,32,33)/t22-,23+,29+/m0/s1 | Reactome pathway
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding activity against human MCH-R1 |
Bioorg Med Chem Lett 16: 5427-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.058
BindingDB Entry DOI: 10.7270/Q228076K |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192639
(3-((1S,4R,5S)-4-((5,6-difluoro-1H-benzo[d]imidazol...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2cccc(c2)C#N)c2nc3cc(F)c(F)cc3[nH]2)CC1 Show InChI InChI=1S/C28H32F2N6/c1-34-10-12-35(13-11-34)8-3-9-36(27-32-24-15-22(29)23(30)16-25(24)33-27)26-6-7-28(17-21(26)28)20-5-2-4-19(14-20)18-31/h2,4-5,14-16,21,26H,3,6-13,17H2,1H3,(H,32,33)/t21-,26-,28-/m1/s1 | Reactome pathway
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding activity against human MCH-R1 |
Bioorg Med Chem Lett 16: 5427-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.058
BindingDB Entry DOI: 10.7270/Q228076K |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192616
(5,6-difluoro-N-(3-(4-methylpiperazin-1-yl)propyl)-...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(CN3CCOCC3)c2)c2nc3cc(F)c(F)cc3[nH]2)CC1 Show InChI InChI=1S/C33H44F2N6O/c1-38-10-12-39(13-11-38)8-3-9-41(32-36-30-20-28(34)29(35)21-31(30)37-32)27-6-7-33(22-26(33)19-27)25-5-2-4-24(18-25)23-40-14-16-42-17-15-40/h2,4-5,18,20-21,26-27H,3,6-17,19,22-23H2,1H3,(H,36,37)/t26-,27+,33+/m0/s1 | Reactome pathway
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding activity against human MCH-R1 |
Bioorg Med Chem Lett 16: 5427-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.058
BindingDB Entry DOI: 10.7270/Q228076K |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192614
(5,6-difluoro-N-(3-(4-methylpiperazin-1-yl)propyl)-...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(CN3CCCC3)c2)c2nc3cc(F)c(F)cc3[nH]2)CC1 Show InChI InChI=1S/C33H44F2N6/c1-38-14-16-39(17-15-38)12-5-13-41(32-36-30-20-28(34)29(35)21-31(30)37-32)27-8-9-33(22-26(33)19-27)25-7-4-6-24(18-25)23-40-10-2-3-11-40/h4,6-7,18,20-21,26-27H,2-3,5,8-17,19,22-23H2,1H3,(H,36,37)/t26-,27+,33+/m0/s1 | Reactome pathway
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding activity against human MCH-R1 |
Bioorg Med Chem Lett 16: 5427-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.058
BindingDB Entry DOI: 10.7270/Q228076K |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192618
(3-((1R,4R,6R)-4-((5,6-difluoro-1H-benzo[d]imidazol...)Show SMILES CS(=O)(=O)N1CCC(CN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(c2)C#N)c2nc3cc(F)c(F)cc3[nH]2)CC1 Show InChI InChI=1S/C28H31F2N5O2S/c1-38(36,37)34-9-6-18(7-10-34)17-35(27-32-25-13-23(29)24(30)14-26(25)33-27)22-5-8-28(15-21(28)12-22)20-4-2-3-19(11-20)16-31/h2-4,11,13-14,18,21-22H,5-10,12,15,17H2,1H3,(H,32,33)/t21-,22+,28+/m0/s1 | Reactome pathway
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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding activity against human MCH-R1 |
Bioorg Med Chem Lett 16: 5427-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.058
BindingDB Entry DOI: 10.7270/Q228076K |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192626
((E)-4R,6R)-4-((5,6-difluoro-1H-benzo[d]imidazol-2-...)Show SMILES CO\N=C\c1cccc(c1)[C@@]12C[C@@H]1C[C@@H](CC2)N(CCCN1CCN(C)CC1)c1nc2cc(F)c(F)cc2[nH]1 Show InChI InChI=1S/C30H38F2N6O/c1-36-11-13-37(14-12-36)9-4-10-38(29-34-27-17-25(31)26(32)18-28(27)35-29)24-7-8-30(19-23(30)16-24)22-6-3-5-21(15-22)20-33-39-2/h3,5-6,15,17-18,20,23-24H,4,7-14,16,19H2,1-2H3,(H,34,35)/b33-20+/t23-,24+,30+/m0/s1 | Reactome pathway
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| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding activity against human MCH-R1 |
Bioorg Med Chem Lett 16: 5427-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.058
BindingDB Entry DOI: 10.7270/Q228076K |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192634
((3-((1R,4R,6R)-4-((5,6-difluoro-1H-benzo[d]imidazo...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(CO)c2)c2nc3cc(F)c(F)cc3[nH]2)CC1 Show InChI InChI=1S/C29H37F2N5O/c1-34-10-12-35(13-11-34)8-3-9-36(28-32-26-16-24(30)25(31)17-27(26)33-28)23-6-7-29(18-22(29)15-23)21-5-2-4-20(14-21)19-37/h2,4-5,14,16-17,22-23,37H,3,6-13,15,18-19H2,1H3,(H,32,33)/t22-,23+,29+/m0/s1 | Reactome pathway
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| 71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding activity against human MCH-R1 |
Bioorg Med Chem Lett 16: 5427-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.058
BindingDB Entry DOI: 10.7270/Q228076K |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192635
(5,6-difluoro-N-((1R,3R,6R)-6-(3-((4-methylpiperazi...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(CN3CCN(C)CC3)c2)c2nc3cc(F)c(F)cc3[nH]2)CC1 Show InChI InChI=1S/C34H47F2N7/c1-39-11-15-41(16-12-39)9-4-10-43(33-37-31-21-29(35)30(36)22-32(31)38-33)28-7-8-34(23-27(34)20-28)26-6-3-5-25(19-26)24-42-17-13-40(2)14-18-42/h3,5-6,19,21-22,27-28H,4,7-18,20,23-24H2,1-2H3,(H,37,38)/t27-,28+,34+/m0/s1 | Reactome pathway
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| 321 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding activity against human MCH-R1 |
Bioorg Med Chem Lett 16: 5427-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.058
BindingDB Entry DOI: 10.7270/Q228076K |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192627
(CHEMBL215695 | N-((1R,3R,6R)-6-(3-((dimethylamino)...)Show SMILES CN(C)Cc1cccc(c1)[C@@]12C[C@@H]1C[C@@H](CC2)N(CCCN1CCN(C)CC1)c1nc2cc(F)c(F)cc2[nH]1 Show InChI InChI=1S/C31H42F2N6/c1-36(2)21-22-6-4-7-23(16-22)31-9-8-25(17-24(31)20-31)39(11-5-10-38-14-12-37(3)13-15-38)30-34-28-18-26(32)27(33)19-29(28)35-30/h4,6-7,16,18-19,24-25H,5,8-15,17,20-21H2,1-3H3,(H,34,35)/t24-,25+,31+/m0/s1 | Reactome pathway
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| 328 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding activity against human MCH-R1 |
Bioorg Med Chem Lett 16: 5427-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.058
BindingDB Entry DOI: 10.7270/Q228076K |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192631
(5,6-difluoro-N-(3-(4-methylpiperazin-1-yl)propyl)-...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(CN3CCCCC3)c2)c2nc3cc(F)c(F)cc3[nH]2)CC1 Show InChI InChI=1S/C34H46F2N6/c1-39-15-17-40(18-16-39)13-6-14-42(33-37-31-21-29(35)30(36)22-32(31)38-33)28-9-10-34(23-27(34)20-28)26-8-5-7-25(19-26)24-41-11-3-2-4-12-41/h5,7-8,19,21-22,27-28H,2-4,6,9-18,20,23-24H2,1H3,(H,37,38)/t27-,28+,34+/m0/s1 | Reactome pathway
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| 405 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding activity against human MCH-R1 |
Bioorg Med Chem Lett 16: 5427-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.058
BindingDB Entry DOI: 10.7270/Q228076K |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192615
((S)-1-(difluoro-1H-benzo[d]imidazol-2-yl)(3-(4-met...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(CN3CC[C@H](O)C3)c2)c2nc3cc(F)c(F)cc3[nH]2)CC1 Show InChI InChI=1S/C33H44F2N6O/c1-38-12-14-39(15-13-38)9-3-10-41(32-36-30-18-28(34)29(35)19-31(30)37-32)26-6-8-33(20-25(33)17-26)24-5-2-4-23(16-24)21-40-11-7-27(42)22-40/h2,4-5,16,18-19,25-27,42H,3,6-15,17,20-22H2,1H3,(H,36,37)/t25-,26+,27-,33+/m0/s1 | Reactome pathway
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| 441 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding activity against human MCH-R1 |
Bioorg Med Chem Lett 16: 5427-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.058
BindingDB Entry DOI: 10.7270/Q228076K |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192621
(CHEMBL412801 | tert-butyl 4-((((1R,3R,6R)-6-(3-cya...)Show SMILES CC(C)(C)OC(=O)N1CCC(CN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(c2)C#N)c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 Show InChI InChI=1S/C32H37Cl2N5O2/c1-31(2,3)41-30(40)38-11-8-20(9-12-38)19-39(29-36-27-15-25(33)26(34)16-28(27)37-29)24-7-10-32(17-23(32)14-24)22-6-4-5-21(13-22)18-35/h4-6,13,15-16,20,23-24H,7-12,14,17,19H2,1-3H3,(H,36,37)/t23-,24+,32+/m0/s1 | Reactome pathway
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| 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding activity against human MCH-R1 |
Bioorg Med Chem Lett 16: 5427-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.058
BindingDB Entry DOI: 10.7270/Q228076K |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50241091
(((S)-1-(difluoro-1H-benzo[d]imidazol-2-yl)(3-(4-me...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(CN3CCC[C@H]3CO)c2)c2nc3cc(F)c(F)cc3[nH]2)CC1 Show InChI InChI=1S/C34H46F2N6O/c1-39-13-15-40(16-14-39)10-4-12-42(33-37-31-19-29(35)30(36)20-32(31)38-33)27-8-9-34(21-26(34)18-27)25-6-2-5-24(17-25)22-41-11-3-7-28(41)23-43/h2,5-6,17,19-20,26-28,43H,3-4,7-16,18,21-23H2,1H3,(H,37,38)/t26-,27+,28-,34+/m0/s1 | Reactome pathway
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| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding activity against human MCH-R1 |
Bioorg Med Chem Lett 16: 5427-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.058
BindingDB Entry DOI: 10.7270/Q228076K |
More data for this
Ligand-Target Pair | |
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