Found 142 hits with Last Name = 'spar' and Initial = 'bd' 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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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 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)) | BDBM50184944
(CHEMBL382668 | N-[trans-5-(3-cyanophenyl)bicyclo[3...)Show SMILES Fc1ccc(NC(=O)N(CCCCN2CCCCC2)[C@@H]2CC[C@@]3(C[C@H]23)c2cccc(c2)C#N)cc1C(F)(F)F Show InChI InChI=1S/C30H34F4N4O/c31-26-10-9-23(18-24(26)30(32,33)34)36-28(39)38(16-5-4-15-37-13-2-1-3-14-37)27-11-12-29(19-25(27)29)22-8-6-7-21(17-22)20-35/h6-10,17-18,25,27H,1-5,11-16,19H2,(H,36,39)/t25-,27-,29-/m1/s1 | Reactome pathway
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PubMed
| 1.60 | 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
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184925
(CHEMBL380509 | N-[trans-5-(4-fluorophenyl)bicyclo[...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(F)cc2)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C28H33F5N4O/c1-35-13-15-36(16-14-35)11-2-12-37(26(38)34-21-7-8-24(30)22(17-21)28(31,32)33)25-9-10-27(18-23(25)27)19-3-5-20(29)6-4-19/h3-8,17,23,25H,2,9-16,18H2,1H3,(H,34,38)/t23-,25-,27-/m1/s1 | Reactome pathway
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| 1.80 | 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
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184935
(3-(3-chloro-4-fluorophenyl)-1-(3-(4-methylpiperazi...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2cccnc2)C(=O)Nc2ccc(F)c(Cl)c2)CC1 Show InChI InChI=1S/C26H33ClFN5O/c1-31-12-14-32(15-13-31)10-3-11-33(25(34)30-20-5-6-23(28)22(27)16-20)24-7-8-26(17-21(24)26)19-4-2-9-29-18-19/h2,4-6,9,16,18,21,24H,3,7-8,10-15,17H2,1H3,(H,30,34)/t21-,24-,26-/m1/s1 | Reactome pathway
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| 2 | 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
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
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)) | BDBM50184928
(CHEMBL382140 | N-[trans-5-(3-cyanophenyl)bicyclo[3...)Show SMILES CN1CCN(CCCCN([C@@H]2CC[C@@]3(C[C@H]23)c2cccc(c2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C30H35F4N5O/c1-37-13-15-38(16-14-37)11-2-3-12-39(28(40)36-23-7-8-26(31)24(18-23)30(32,33)34)27-9-10-29(19-25(27)29)22-6-4-5-21(17-22)20-35/h4-8,17-18,25,27H,2-3,9-16,19H2,1H3,(H,36,40)/t25-,27-,29-/m1/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
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309061
(CHEMBL591541 | N-(((3R,6S)-1-(4-chlorophenyl)-6-(2...)Show SMILES Clc1ccc(cc1)N1C[C@H](CNS(=O)(=O)c2cccc3ccccc23)CC[C@H]1c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C28H25Cl3N2O2S/c29-21-9-12-23(13-10-21)33-18-19(8-15-27(33)25-14-11-22(30)16-26(25)31)17-32-36(34,35)28-7-3-5-20-4-1-2-6-24(20)28/h1-7,9-14,16,19,27,32H,8,15,17-18H2/t19-,27-/m0/s1 | PDB
NCI pathway
Reactome pathway
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075
BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184948
(CHEMBL206616 | N-[trans-5-(3-fluorophenyl)bicyclo[...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2cccc(F)c2)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C28H33F5N4O/c1-35-12-14-36(15-13-35)10-3-11-37(26(38)34-21-6-7-24(30)22(17-21)28(31,32)33)25-8-9-27(18-23(25)27)19-4-2-5-20(29)16-19/h2,4-7,16-17,23,25H,3,8-15,18H2,1H3,(H,34,38)/t23-,25-,27-/m1/s1 | Reactome pathway
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| 2.30 | 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
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
NCI pathway
Reactome pathway
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| DrugBank
Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075
BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184919
(CHEMBL208025 | N-[trans-5-(3-cyanophenyl)bicyclo[3...)Show SMILES Fc1ccc(NC(=O)N(CCCCN2CCOCC2)[C@@H]2CC[C@@]3(C[C@H]23)c2cccc(c2)C#N)cc1C(F)(F)F Show InChI InChI=1S/C29H32F4N4O2/c30-25-7-6-22(17-23(25)29(31,32)33)35-27(38)37(11-2-1-10-36-12-14-39-15-13-36)26-8-9-28(18-24(26)28)21-5-3-4-20(16-21)19-34/h3-7,16-17,24,26H,1-2,8-15,18H2,(H,35,38)/t24-,26-,28-/m1/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
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184923
(1-((1S,2R,5S)-5-(3-acetamidophenyl)bicyclo[3.1.0]h...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2cccc(NC(C)=O)c2)C(=O)Nc2ccc(F)c(Cl)c2)CC1 Show InChI InChI=1S/C29H37ClFN5O2/c1-20(37)32-22-6-3-5-21(17-22)29-10-9-27(24(29)19-29)36(12-4-11-35-15-13-34(2)14-16-35)28(38)33-23-7-8-26(31)25(30)18-23/h3,5-8,17-18,24,27H,4,9-16,19H2,1-2H3,(H,32,37)(H,33,38)/t24-,27-,29-/m1/s1 | Reactome pathway
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| Article
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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
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
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)) | BDBM50184924
(1-((1S,2R,5S)-5-(4-cyanophenyl)bicyclo[3.1.0]hexan...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(cc2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C29H33F4N5O/c1-36-13-15-37(16-14-36)11-2-12-38(27(39)35-22-7-8-25(30)23(17-22)29(31,32)33)26-9-10-28(18-24(26)28)21-5-3-20(19-34)4-6-21/h3-8,17,24,26H,2,9-16,18H2,1H3,(H,35,39)/t24-,26-,28-/m1/s1 | Reactome pathway
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| 2.70 | 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
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184921
(CHEMBL204881 | N'-[4-fluoro-3-(trifluoromethyl)phe...)Show SMILES COc1ccc(cc1)[C@@]12C[C@@H]1[C@@H](CC2)N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C29H36F4N4O2/c1-35-14-16-36(17-15-35)12-3-13-37(27(38)34-21-6-9-25(30)23(18-21)29(31,32)33)26-10-11-28(19-24(26)28)20-4-7-22(39-2)8-5-20/h4-9,18,24,26H,3,10-17,19H2,1-2H3,(H,34,38)/t24-,26-,28-/m1/s1 | Reactome pathway
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| 2.80 | 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
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184910
(CHEMBL206248 | N'-[4-fluoro-3-(trifluoromethyl)phe...)Show SMILES COc1cccc(c1)[C@@]12C[C@@H]1[C@@H](CC2)N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C29H36F4N4O2/c1-35-13-15-36(16-14-35)11-4-12-37(27(38)34-21-7-8-25(30)23(18-21)29(31,32)33)26-9-10-28(19-24(26)28)20-5-3-6-22(17-20)39-2/h3,5-8,17-18,24,26H,4,9-16,19H2,1-2H3,(H,34,38)/t24-,26-,28-/m1/s1 | Reactome pathway
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| 2.90 | 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
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184926
(CHEMBL382177 | N'-(3-chloro-4-fluorophenyl)-N-[tra...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2cccc(F)c2)C(=O)Nc2ccc(F)c(Cl)c2)CC1 Show InChI InChI=1S/C27H33ClF2N4O/c1-32-12-14-33(15-13-32)10-3-11-34(26(35)31-21-6-7-24(30)23(28)17-21)25-8-9-27(18-22(25)27)19-4-2-5-20(29)16-19/h2,4-7,16-17,22,25H,3,8-15,18H2,1H3,(H,31,35)/t22-,25-,27-/m1/s1 | Reactome pathway
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| 3.30 | 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
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184913
(CHEMBL205838 | N-[trans-5-(4-cyano-3-fluorophenyl)...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(C#N)c(F)c2)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C29H32F5N5O/c1-37-11-13-38(14-12-37)9-2-10-39(27(40)36-21-5-6-24(30)22(16-21)29(32,33)34)26-7-8-28(17-23(26)28)20-4-3-19(18-35)25(31)15-20/h3-6,15-16,23,26H,2,7-14,17H2,1H3,(H,36,40)/t23-,26-,28-/m1/s1 | Reactome pathway
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| 3.5 | 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
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309047
(CHEMBL591352 | N-(2-((3S,6S)-1-(4-chlorophenyl)-6-...)Show SMILES Clc1ccc(cc1)N1C[C@H](CCNS(=O)(=O)C2CC2)CC[C@H]1c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C22H25Cl3N2O2S/c23-16-2-5-18(6-3-16)27-14-15(11-12-26-30(28,29)19-7-8-19)1-10-22(27)20-9-4-17(24)13-21(20)25/h2-6,9,13,15,19,22,26H,1,7-8,10-12,14H2/t15-,22-/m0/s1 | PDB
NCI pathway
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| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075
BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184911
(CHEMBL204407 | N-[trans-5-(3-cyano-4-fluorophenyl)...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(F)c(c2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C29H32F5N5O/c1-37-11-13-38(14-12-37)9-2-10-39(27(40)36-21-4-6-25(31)22(16-21)29(32,33)34)26-7-8-28(17-23(26)28)20-3-5-24(30)19(15-20)18-35/h3-6,15-16,23,26H,2,7-14,17H2,1H3,(H,36,40)/t23-,26-,28-/m1/s1 | Reactome pathway
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| 4 | 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
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184949
(CHEMBL206503 | N'-(3-chloro-4-fluorophenyl)-N-[tra...)Show SMILES Fc1ccc(NC(=O)N(CCN2CCCCC2)[C@@H]2CC[C@@]3(C[C@H]23)c2cccc(c2)C#N)cc1Cl Show InChI InChI=1S/C27H30ClFN4O/c28-23-16-21(7-8-24(23)29)31-26(34)33(14-13-32-11-2-1-3-12-32)25-9-10-27(17-22(25)27)20-6-4-5-19(15-20)18-30/h4-8,15-16,22,25H,1-3,9-14,17H2,(H,31,34)/t22-,25-,27-/m1/s1 | Reactome pathway
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| 4.10 | 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
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309046
(CHEMBL591994 | N-(2-((3S,6S)-1-(4-chlorophenyl)-6-...)Show SMILES Clc1ccc(cc1)N1C[C@H](CCNS(=O)(=O)c2ccc(cc2)C#N)CC[C@H]1c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H24Cl3N3O2S/c27-20-4-7-22(8-5-20)32-17-19(3-12-26(32)24-11-6-21(28)15-25(24)29)13-14-31-35(33,34)23-9-1-18(16-30)2-10-23/h1-2,4-11,15,19,26,31H,3,12-14,17H2/t19-,26-/m0/s1 | PDB
NCI pathway
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| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075
BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184941
(CHEMBL204212 | N'-(3-chloro-4-fluorophenyl)-N-[tra...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(F)c(F)c2)C(=O)Nc2ccc(F)c(Cl)c2)CC1 Show InChI InChI=1S/C27H32ClF3N4O/c1-33-11-13-34(14-12-33)9-2-10-35(26(36)32-19-4-6-22(29)21(28)16-19)25-7-8-27(17-20(25)27)18-3-5-23(30)24(31)15-18/h3-6,15-16,20,25H,2,7-14,17H2,1H3,(H,32,36)/t20-,25-,27-/m1/s1 | Reactome pathway
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| 4.40 | 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
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
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 | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309049
(CHEMBL591542 | N-(((3S,6S)-1-(4-chlorophenyl)-6-(2...)Show SMILES Clc1ccc(cc1)N1C[C@H](CNC(=O)c2ccc(cc2)C#N)CC[C@H]1c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H22Cl3N3O/c27-20-6-9-22(10-7-20)32-16-18(3-12-25(32)23-11-8-21(28)13-24(23)29)15-31-26(33)19-4-1-17(14-30)2-5-19/h1-2,4-11,13,18,25H,3,12,15-16H2,(H,31,33)/t18-,25-/m0/s1 | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075
BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309043
(CHEMBL591067 | N-(2-((3S,6S)-1-(4-chlorophenyl)-6-...)Show SMILES Clc1ccc(cc1)N1C[C@H](CCNC(=O)c2ccc(cc2)C#N)CC[C@H]1c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C27H24Cl3N3O/c28-21-6-9-23(10-7-21)33-17-19(3-12-26(33)24-11-8-22(29)15-25(24)30)13-14-32-27(34)20-4-1-18(16-31)2-5-20/h1-2,4-11,15,19,26H,3,12-14,17H2,(H,32,34)/t19-,26-/m0/s1 | PDB
NCI pathway
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| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075
BindingDB Entry DOI: 10.7270/Q2B27W7Z |
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 | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309045
(CHEMBL603529 | N-(2-((3S,6S)-1-(4-chlorophenyl)-6-...)Show SMILES Clc1ccc(cc1)N1C[C@H](CCNS(=O)(=O)c2cccnc2)CC[C@H]1c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C24H24Cl3N3O2S/c25-18-4-7-20(8-5-18)30-16-17(3-10-24(30)22-9-6-19(26)14-23(22)27)11-13-29-33(31,32)21-2-1-12-28-15-21/h1-2,4-9,12,14-15,17,24,29H,3,10-11,13,16H2/t17-,24-/m0/s1 | PDB
NCI pathway
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PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075
BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309050
(CHEMBL591540 | N-(((3R,6S)-1-(4-chlorophenyl)-6-(2...)Show SMILES Clc1ccc(cc1)N1C[C@H](CNS(=O)(=O)c2cccnc2)CC[C@H]1c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C23H22Cl3N3O2S/c24-17-4-7-19(8-5-17)29-15-16(13-28-32(30,31)20-2-1-11-27-14-20)3-10-23(29)21-9-6-18(25)12-22(21)26/h1-2,4-9,11-12,14,16,23,28H,3,10,13,15H2/t16-,23-/m0/s1 | PDB
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075
BindingDB Entry DOI: 10.7270/Q2B27W7Z |
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 | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309030
((3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-...)Show SMILES CC(C)CNS(=O)(=O)[C@@H]1CC[C@H](N(C1)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C21H25Cl3N2O2S/c1-14(2)12-25-29(27,28)18-8-10-21(19-9-5-16(23)11-20(19)24)26(13-18)17-6-3-15(22)4-7-17/h3-7,9,11,14,18,21,25H,8,10,12-13H2,1-2H3/t18-,21+/m1/s1 | PDB
NCI pathway
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| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075
BindingDB Entry DOI: 10.7270/Q2B27W7Z |
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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PubMed
| 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)) | BDBM50184929
(CHEMBL204161 | N'-(3-chloro-4-fluorophenyl)-N-[tra...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2cc(F)cc(F)c2)C(=O)Nc2ccc(F)c(Cl)c2)CC1 Show InChI InChI=1S/C27H32ClF3N4O/c1-33-9-11-34(12-10-33)7-2-8-35(26(36)32-21-3-4-24(31)23(28)16-21)25-5-6-27(17-22(25)27)18-13-19(29)15-20(30)14-18/h3-4,13-16,22,25H,2,5-12,17H2,1H3,(H,32,36)/t22-,25-,27-/m1/s1 | Reactome pathway
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PubMed
| 7 | 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
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184937
(CHEMBL382631 | N-[trans-5-(3-cyanophenyl)bicyclo[3...)Show SMILES O[C@@H]1CCN(CCN([C@@H]2CC[C@@]3(C[C@H]23)c2cccc(c2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)C1 Show InChI InChI=1S/C27H28F4N4O2/c28-23-5-4-19(13-21(23)27(29,30)31)33-25(37)35(11-10-34-9-7-20(36)16-34)24-6-8-26(14-22(24)26)18-3-1-2-17(12-18)15-32/h1-5,12-13,20,22,24,36H,6-11,14,16H2,(H,33,37)/t20-,22-,24-,26-/m1/s1 | Reactome pathway
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PubMed
| 7.10 | 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
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184936
(CHEMBL206831 | N-[trans-5-(4-cyanophenyl)bicyclo[3...)Show SMILES Fc1ccc(NC(=O)N(CCCN2CCNCC2)[C@@H]2CC[C@@]3(C[C@H]23)c2ccc(cc2)C#N)cc1C(F)(F)F Show InChI InChI=1S/C28H31F4N5O/c29-24-7-6-21(16-22(24)28(30,31)32)35-26(38)37(13-1-12-36-14-10-34-11-15-36)25-8-9-27(17-23(25)27)20-4-2-19(18-33)3-5-20/h2-7,16,23,25,34H,1,8-15,17H2,(H,35,38)/t23-,25-,27-/m1/s1 | Reactome pathway
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PubMed
| 8 | 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
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309041
(CHEMBL601936 | tert-butyl 4-(((3S,6S)-1-(4-chlorop...)Show SMILES CC(C)(C)OC(=O)N1CCN(C[C@@H]2CC[C@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)CC1 |r| Show InChI InChI=1S/C27H34Cl3N3O2/c1-27(2,3)35-26(34)32-14-12-31(13-15-32)17-19-4-11-25(23-10-7-21(29)16-24(23)30)33(18-19)22-8-5-20(28)6-9-22/h5-10,16,19,25H,4,11-15,17-18H2,1-3H3/t19-,25-/m0/s1 | PDB
NCI pathway
Reactome pathway
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PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075
BindingDB Entry DOI: 10.7270/Q2B27W7Z |
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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PubMed
| 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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PubMed
| 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)) | BDBM50184931
(3-(3-chloro-4-fluorophenyl)-1-(3-(4-methylpiperazi...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccccc2)C(=O)Nc2ccc(F)c(Cl)c2)CC1 Show InChI InChI=1S/C27H34ClFN4O/c1-31-14-16-32(17-15-31)12-5-13-33(26(34)30-21-8-9-24(29)23(28)18-21)25-10-11-27(19-22(25)27)20-6-3-2-4-7-20/h2-4,6-9,18,22,25H,5,10-17,19H2,1H3,(H,30,34)/t22-,25-,27-/m1/s1 | Reactome pathway
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PubMed
| 8.90 | 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
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184920
(CHEMBL378019 | N-[trans-5-(3-cyanophenyl)bicyclo[3...)Show SMILES CC(C)CN1CCN(CCN([C@@H]2CC[C@@]3(C[C@H]23)c2cccc(c2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C31H37F4N5O/c1-21(2)20-39-12-10-38(11-13-39)14-15-40(29(41)37-24-6-7-27(32)25(17-24)31(33,34)35)28-8-9-30(18-26(28)30)23-5-3-4-22(16-23)19-36/h3-7,16-17,21,26,28H,8-15,18,20H2,1-2H3,(H,37,41)/t26-,28-,30-/m1/s1 | Reactome pathway
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PubMed
| 9 | 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
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309027
((3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-...)Show SMILES CC(C)CCNS(=O)(=O)[C@@H]1CC[C@H](N(C1)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C22H27Cl3N2O2S/c1-15(2)11-12-26-30(28,29)19-8-10-22(20-9-5-17(24)13-21(20)25)27(14-19)18-6-3-16(23)4-7-18/h3-7,9,13,15,19,22,26H,8,10-12,14H2,1-2H3/t19-,22+/m1/s1 | PDB
NCI pathway
Reactome pathway
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PubMed
| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075
BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184930
(CHEMBL205979 | N'-(3-chloro-4-fluorophenyl)-N-[3-(...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(cc2)S(C)(=O)=O)C(=O)Nc2ccc(F)c(Cl)c2)CC1 Show InChI InChI=1S/C28H36ClFN4O3S/c1-32-14-16-33(17-15-32)12-3-13-34(27(35)31-21-6-9-25(30)24(29)18-21)26-10-11-28(19-23(26)28)20-4-7-22(8-5-20)38(2,36)37/h4-9,18,23,26H,3,10-17,19H2,1-2H3,(H,31,35)/t23-,26-,28-/m1/s1 | Reactome pathway
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| 9.30 | 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
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184914
(1-((1S,2R,5S)-5-(3-aminophenyl)bicyclo[3.1.0]hexan...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2cccc(N)c2)C(=O)Nc2ccc(F)c(Cl)c2)CC1 Show InChI InChI=1S/C27H35ClFN5O/c1-32-12-14-33(15-13-32)10-3-11-34(26(35)31-21-6-7-24(29)23(28)17-21)25-8-9-27(18-22(25)27)19-4-2-5-20(30)16-19/h2,4-7,16-17,22,25H,3,8-15,18,30H2,1H3,(H,31,35)/t22-,25-,27-/m1/s1 | Reactome pathway
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PubMed
| 10 | 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
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
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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PubMed
| 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)) | BDBM50164247
(3-(3-Chloro-4-fluoro-phenyl)-1-[(1R,3R,6S)-6-(3-cy...)Show SMILES O[C@@H]1CCN(CCN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(c2)C#N)C(=O)Nc2ccc(F)c(Cl)c2)C1 Show InChI InChI=1S/C27H30ClFN4O2/c28-24-14-21(4-5-25(24)29)31-26(35)33(11-10-32-9-7-23(34)17-32)22-6-8-27(15-20(27)13-22)19-3-1-2-18(12-19)16-30/h1-5,12,14,20,22-23,34H,6-11,13,15,17H2,(H,31,35)/t20-,22+,23+,27+/m0/s1 | Reactome pathway
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PubMed
| 11.4 | 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
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184946
(CHEMBL383432 | N'-(3-chloro-4-fluorophenyl)-N-[3-(...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(OC(F)(F)F)cc2)C(=O)Nc2ccc(F)c(Cl)c2)CC1 Show InChI InChI=1S/C28H33ClF4N4O2/c1-35-13-15-36(16-14-35)11-2-12-37(26(38)34-20-5-8-24(30)23(29)17-20)25-9-10-27(18-22(25)27)19-3-6-21(7-4-19)39-28(31,32)33/h3-8,17,22,25H,2,9-16,18H2,1H3,(H,34,38)/t22-,25-,27-/m1/s1 | Reactome pathway
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| 13 | 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
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309036
(1-(4-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorop...)Show SMILES CC(C)(C)CC(=O)N1CCN(C[C@@H]2CC[C@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)CC1 |r| Show InChI InChI=1S/C28H36Cl3N3O/c1-28(2,3)17-27(35)33-14-12-32(13-15-33)18-20-4-11-26(24-10-7-22(30)16-25(24)31)34(19-20)23-8-5-21(29)6-9-23/h5-10,16,20,26H,4,11-15,17-19H2,1-3H3/t20-,26-/m0/s1 | PDB
NCI pathway
Reactome pathway
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PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075
BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184939
(CHEMBL381162 | N'-(3-chloro-4-fluorophenyl)-N-[3-(...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccsc2)C(=O)Nc2ccc(F)c(Cl)c2)CC1 Show InChI InChI=1S/C25H32ClFN4OS/c1-29-10-12-30(13-11-29)8-2-9-31(24(32)28-19-3-4-22(27)21(26)15-19)23-5-7-25(16-20(23)25)18-6-14-33-17-18/h3-4,6,14-15,17,20,23H,2,5,7-13,16H2,1H3,(H,28,32)/t20-,23-,25-/m1/s1 | Reactome pathway
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| 13 | 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
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell |
J Med Chem 49: 2294-310 (2006)
Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH |
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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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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