Found 102 hits with Last Name = 'paruchova' and Initial = 'j' 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)) | 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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PC sid
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| Article
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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PubMed
| 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)) | 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
Binding affinity to MCHR1 |
Bioorg Med Chem Lett 16: 4262-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G |
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 | |
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 | |
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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| 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 affinity to MCHR1 |
Bioorg Med Chem Lett 16: 4262-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G |
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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| 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)) | BDBM50188320
(3-(3-chloro-4-fluorophenyl)-1-((1S,2R,5S)-5-(4-flu...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(F)cc2)C(=O)Nc2ccc(F)c(Cl)c2)CC1 Show InChI InChI=1S/C27H33ClF2N4O/c1-32-13-15-33(16-14-32)11-2-12-34(26(35)31-21-7-8-24(30)23(28)17-21)25-9-10-27(18-22(25)27)19-3-5-20(29)6-4-19/h3-8,17,22,25H,2,9-16,18H2,1H3,(H,31,35)/t22-,25-,27-/m1/s1 | Reactome pathway
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| 2.60 | 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 affinity to MCHR1 |
Bioorg Med Chem Lett 16: 4262-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G |
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)) | 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
Binding affinity to MCHR1 |
Bioorg Med Chem Lett 16: 4262-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50164246
(1-[(1S,2R,5S)-5-(4-Cyano-phenyl)-bicyclo[3.1.0]hex...)Show SMILES CN1CCN(CCCCN([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/C30H35F4N5O/c1-37-14-16-38(17-15-37)12-2-3-13-39(28(40)36-23-8-9-26(31)24(18-23)30(32,33)34)27-10-11-29(19-25(27)29)22-6-4-21(20-35)5-7-22/h4-9,18,25,27H,2-3,10-17,19H2,1H3,(H,36,40)/t25-,27-,29-/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
Inhibition constant for human Melanin concentrating hormone receptor 1 |
J Med Chem 48: 2274-7 (2005)
Article DOI: 10.1021/jm049035q
BindingDB Entry DOI: 10.7270/Q2GH9HG1 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50188334
(3-(3-chloro-4-fluorophenyl)-1-((1S,2R,5S)-5-(3-met...)Show SMILES COc1cccc(c1)[C@@]12C[C@@H]1[C@@H](CC2)N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C28H36ClFN4O2/c1-32-13-15-33(16-14-32)11-4-12-34(27(35)31-21-7-8-25(30)24(29)18-21)26-9-10-28(19-23(26)28)20-5-3-6-22(17-20)36-2/h3,5-8,17-18,23,26H,4,9-16,19H2,1-2H3,(H,31,35)/t23-,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
Binding affinity to MCHR1 |
Bioorg Med Chem Lett 16: 4262-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G |
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
(Mus musculus) | BDBM50164246
(1-[(1S,2R,5S)-5-(4-Cyano-phenyl)-bicyclo[3.1.0]hex...)Show SMILES CN1CCN(CCCCN([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/C30H35F4N5O/c1-37-14-16-38(17-15-37)12-2-3-13-39(28(40)36-23-8-9-26(31)24(18-23)30(32,33)34)27-10-11-29(19-25(27)29)22-6-4-21(20-35)5-7-22/h4-9,18,25,27H,2-3,10-17,19H2,1H3,(H,36,40)/t25-,27-,29-/m1/s1 | Reactome pathway
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| 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
Inhibition constant for mouse Melanin concentrating hormone receptor 1 |
J Med Chem 48: 2274-7 (2005)
Article DOI: 10.1021/jm049035q
BindingDB Entry DOI: 10.7270/Q2GH9HG1 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50164244
(3-(3-Chloro-4-fluoro-phenyl)-1-[4-(3-cyano-phenyl)...)Show SMILES Fc1ccc(NC(=O)N(CCN2CCCC2)C2CCC(=CC2)c2cccc(c2)C#N)cc1Cl |c:20| Show InChI InChI=1S/C26H28ClFN4O/c27-24-17-22(8-11-25(24)28)30-26(33)32(15-14-31-12-1-2-13-31)23-9-6-20(7-10-23)21-5-3-4-19(16-21)18-29/h3-6,8,11,16-17,23H,1-2,7,9-10,12-15H2,(H,30,33) | Reactome pathway
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| 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
Inhibition constant for human Melanin concentrating hormone receptor 1 |
J Med Chem 48: 2274-7 (2005)
Article DOI: 10.1021/jm049035q
BindingDB Entry DOI: 10.7270/Q2GH9HG1 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50188316
(3-(3-chloro-4-fluorophenyl)-1-(3-(4-methylpiperazi...)Show SMILES CCC(=O)Nc1cccc(c1)[C@@]12C[C@@H]1[C@@H](CC2)N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C30H39ClFN5O2/c1-3-28(38)33-22-7-4-6-21(18-22)30-11-10-27(24(30)20-30)37(13-5-12-36-16-14-35(2)15-17-36)29(39)34-23-8-9-26(32)25(31)19-23/h4,6-9,18-19,24,27H,3,5,10-17,20H2,1-2H3,(H,33,38)(H,34,39)/t24-,27-,30-/m1/s1 | Reactome pathway
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| 3.10 | 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
Binding affinity to MCHR1 |
Bioorg Med Chem Lett 16: 4262-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G |
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 | |
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 | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50188318
(1-((1S,2R,5S)-5-(4-aminophenyl)bicyclo[3.1.0]hexan...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(N)cc2)C(=O)Nc2ccc(F)c(Cl)c2)CC1 Show InChI InChI=1S/C27H35ClFN5O/c1-32-13-15-33(16-14-32)11-2-12-34(26(35)31-21-7-8-24(29)23(28)17-21)25-9-10-27(18-22(25)27)19-3-5-20(30)6-4-19/h3-8,17,22,25H,2,9-16,18,30H2,1H3,(H,31,35)/t22-,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
Binding affinity to MCHR1 |
Bioorg Med Chem Lett 16: 4262-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G |
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)) | BDBM50188329
(1-((1S,2R,5S)-5-(4-acetamidophenyl)bicyclo[3.1.0]h...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(NC(C)=O)cc2)C(=O)Nc2ccc(F)c(Cl)c2)CC1 Show InChI InChI=1S/C29H37ClFN5O2/c1-20(37)32-22-6-4-21(5-7-22)29-11-10-27(24(29)19-29)36(13-3-12-35-16-14-34(2)15-17-35)28(38)33-23-8-9-26(31)25(30)18-23/h4-9,18,24,27H,3,10-17,19H2,1-2H3,(H,32,37)(H,33,38)/t24-,27-,29-/m1/s1 | Reactome pathway
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| 4.80 | 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 affinity to MCHR1 |
Bioorg Med Chem Lett 16: 4262-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50188317
(CHEMBL212922 | methyl 4-((1R,4S,5R)-4-(3-(4-fluoro...)Show SMILES COC(=O)c1ccc(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/C30H36F4N4O3/c1-36-14-16-37(17-15-36)12-3-13-38(28(40)35-22-8-9-25(31)23(18-22)30(32,33)34)26-10-11-29(19-24(26)29)21-6-4-20(5-7-21)27(39)41-2/h4-9,18,24,26H,3,10-17,19H2,1-2H3,(H,35,40)/t24-,26-,29-/m1/s1 | Reactome pathway
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| 5.40 | 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 affinity to MCHR1 |
Bioorg Med Chem Lett 16: 4262-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Mus musculus) | 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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| 5.90 | 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
Inhibition constant for mouse Melanin concentrating hormone receptor 1 |
J Med Chem 48: 2274-7 (2005)
Article DOI: 10.1021/jm049035q
BindingDB Entry DOI: 10.7270/Q2GH9HG1 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50188321
(3-(3-chloro-4-fluorophenyl)-1-((1S,2R,5S)-5-(3-(cy...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2cccc(NC(=O)C3CC3)c2)C(=O)Nc2ccc(F)c(Cl)c2)CC1 Show InChI InChI=1S/C31H39ClFN5O2/c1-36-14-16-37(17-15-36)12-3-13-38(30(40)35-24-8-9-27(33)26(32)19-24)28-10-11-31(20-25(28)31)22-4-2-5-23(18-22)34-29(39)21-6-7-21/h2,4-5,8-9,18-19,21,25,28H,3,6-7,10-17,20H2,1H3,(H,34,39)(H,35,40)/t25-,28-,31-/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 affinity to MCHR1 |
Bioorg Med Chem Lett 16: 4262-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G |
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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| 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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| 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)) | BDBM50164255
(1-[(1S,2R,5S)-5-(2-Cyano-phenyl)-bicyclo[3.1.0]hex...)Show SMILES O[C@@H]1CCN(CCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccccc2C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)C1 Show InChI InChI=1S/C27H28F4N4O2/c28-23-6-5-18(13-21(23)27(29,30)31)33-25(37)35(12-11-34-10-8-19(36)16-34)24-7-9-26(14-22(24)26)20-4-2-1-3-17(20)15-32/h1-6,13,19,22,24,36H,7-12,14,16H2,(H,33,37)/t19-,22-,24-,26-/m1/s1 | Reactome pathway
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| 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
Inhibition constant for human Melanin concentrating hormone receptor 1 |
J Med Chem 48: 2274-7 (2005)
Article DOI: 10.1021/jm049035q
BindingDB Entry DOI: 10.7270/Q2GH9HG1 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Mus musculus) | BDBM50164253
(3-(3-Chloro-4-fluoro-phenyl)-1-[(1S,3R,6R)-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+/m1/s1 | Reactome pathway
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UniChem
Similars
| Article
PubMed
| 7.80 | 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
Inhibition constant for mouse Melanin concentrating hormone receptor 1 |
J Med Chem 48: 2274-7 (2005)
Article DOI: 10.1021/jm049035q
BindingDB Entry DOI: 10.7270/Q2GH9HG1 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50164248
(3-(3-Chloro-4-fluoro-phenyl)-1-[(3R,6S)-6-(3-cyano...)Show SMILES O[C@@H]1CCN(CCN([C@@H]2CC[C@@]3(CC3C2)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-/m1/s1 | Reactome pathway
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| 7.90 | 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
Inhibition constant for human Melanin concentrating hormone receptor 1 |
J Med Chem 48: 2274-7 (2005)
Article DOI: 10.1021/jm049035q
BindingDB Entry DOI: 10.7270/Q2GH9HG1 |
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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| 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 | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50188315
(3-(4-fluoro-3-(trifluoromethyl)phenyl)-1-(3-(4-met...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(cc2)S(C)(=O)=O)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C29H36F4N4O3S/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(8-5-20)41(2,39)40/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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| 8.5 | 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 affinity to MCHR1 |
Bioorg Med Chem Lett 16: 4262-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50188333
(3-(4-fluoro-3-(trifluoromethyl)phenyl)-1-((1S,2R,5...)Show SMILES COc1ccc(cn1)[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/C28H35F4N5O2/c1-35-12-14-36(15-13-35)10-3-11-37(26(38)34-20-5-6-23(29)21(16-20)28(30,31)32)24-8-9-27(17-22(24)27)19-4-7-25(39-2)33-18-19/h4-7,16,18,22,24H,3,8-15,17H2,1-2H3,(H,34,38)/t22-,24-,27-/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 affinity to MCHR1 |
Bioorg Med Chem Lett 16: 4262-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50164253
(3-(3-Chloro-4-fluoro-phenyl)-1-[(1S,3R,6R)-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+/m1/s1 | Reactome pathway
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| 8.80 | 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
Inhibition constant for human Melanin concentrating hormone receptor 1 |
J Med Chem 48: 2274-7 (2005)
Article DOI: 10.1021/jm049035q
BindingDB Entry DOI: 10.7270/Q2GH9HG1 |
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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| 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
Binding affinity to MCHR1 |
Bioorg Med Chem Lett 16: 4262-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G |
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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| 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)) | BDBM50164243
((R)-1-(3'-cyanobiphenyl-4-yl)-3-(4-fluoro-3-(trifl...)Show SMILES O[C@@H]1CCN(CCN(C(=O)Nc2ccc(F)c(c2)C(F)(F)F)c2ccc(cc2)-c2cccc(c2)C#N)C1 Show InChI InChI=1S/C27H24F4N4O2/c28-25-9-6-21(15-24(25)27(29,30)31)33-26(37)35(13-12-34-11-10-23(36)17-34)22-7-4-19(5-8-22)20-3-1-2-18(14-20)16-32/h1-9,14-15,23,36H,10-13,17H2,(H,33,37)/t23-/m1/s1 | Reactome pathway
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| 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
Inhibition constant for human Melanin concentrating hormone receptor 1 |
J Med Chem 48: 2274-7 (2005)
Article DOI: 10.1021/jm049035q
BindingDB Entry DOI: 10.7270/Q2GH9HG1 |
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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| 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 | |
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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| 9.20 | 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
Inhibition constant for human Melanin concentrating hormone receptor 1 |
J Med Chem 48: 2274-7 (2005)
Article DOI: 10.1021/jm049035q
BindingDB Entry DOI: 10.7270/Q2GH9HG1 |
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
(Mus musculus) | BDBM50164243
((R)-1-(3'-cyanobiphenyl-4-yl)-3-(4-fluoro-3-(trifl...)Show SMILES O[C@@H]1CCN(CCN(C(=O)Nc2ccc(F)c(c2)C(F)(F)F)c2ccc(cc2)-c2cccc(c2)C#N)C1 Show InChI InChI=1S/C27H24F4N4O2/c28-25-9-6-21(15-24(25)27(29,30)31)33-26(37)35(13-12-34-11-10-23(36)17-34)22-7-4-19(5-8-22)20-3-1-2-18(14-20)16-32/h1-9,14-15,23,36H,10-13,17H2,(H,33,37)/t23-/m1/s1 | Reactome pathway
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| 9.60 | 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
Inhibition constant for mouse Melanin concentrating hormone receptor 1 |
J Med Chem 48: 2274-7 (2005)
Article DOI: 10.1021/jm049035q
BindingDB Entry DOI: 10.7270/Q2GH9HG1 |
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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| 9.60 | 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 affinity to MCHR1 |
Bioorg Med Chem Lett 16: 4262-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G |
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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| 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
(Mus musculus) | BDBM50164248
(3-(3-Chloro-4-fluoro-phenyl)-1-[(3R,6S)-6-(3-cyano...)Show SMILES O[C@@H]1CCN(CCN([C@@H]2CC[C@@]3(CC3C2)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-/m1/s1 | Reactome pathway
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| 10.7 | 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
Inhibition constant for mouse Melanin concentrating hormone receptor 1 |
J Med Chem 48: 2274-7 (2005)
Article DOI: 10.1021/jm049035q
BindingDB Entry DOI: 10.7270/Q2GH9HG1 |
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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| 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)) | BDBM50188328
(3-(4-fluoro-3-(trifluoromethyl)phenyl)-1-(3-(4-met...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccsc2)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C26H32F4N4OS/c1-32-10-12-33(13-11-32)8-2-9-34(23-5-7-25(16-21(23)25)18-6-14-36-17-18)24(35)31-19-3-4-22(27)20(15-19)26(28,29)30/h3-4,6,14-15,17,21,23H,2,5,7-13,16H2,1H3,(H,31,35)/t21-,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
Binding affinity to MCHR1 |
Bioorg Med Chem Lett 16: 4262-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G |
More data for this
Ligand-Target Pair | |
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