Found 51 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)) | BDBM50190268
(4'-methylsulfanyl-biphenyl-4-carboxylic acid methy...)Show SMILES CSc1ccc(cc1)-c1ccc(cc1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@@H](C1)NCCCc1ccccc1 Show InChI InChI=1S/C33H40N4O2S/c1-35(32(38)28-12-10-26(11-13-28)27-14-16-31(40-2)17-15-27)30-19-22-37(24-30)33(39)36-21-18-29(23-36)34-20-6-9-25-7-4-3-5-8-25/h3-5,7-8,10-17,29-30,34H,6,9,18-24H2,1-2H3/t29-,30-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190279
(4'-chloro-biphenyl-4-carboxylic acid methyl-{(S)-1...)Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@@H](C1)NCCCc1ccccc1)C(=O)c1ccc(cc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C32H37ClN4O2/c1-35(31(38)27-11-9-25(10-12-27)26-13-15-28(33)16-14-26)30-18-21-37(23-30)32(39)36-20-17-29(22-36)34-19-5-8-24-6-3-2-4-7-24/h2-4,6-7,9-16,29-30,34H,5,8,17-23H2,1H3/t29-,30-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190280
(4'-trifluoromethoxy-biphenyl-4-carboxylic acid met...)Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@@H](C1)NCCCc1ccccc1)C(=O)c1ccc(cc1)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C33H37F3N4O3/c1-38(31(41)27-11-9-25(10-12-27)26-13-15-30(16-14-26)43-33(34,35)36)29-18-21-40(23-29)32(42)39-20-17-28(22-39)37-19-5-8-24-6-3-2-4-7-24/h2-4,6-7,9-16,28-29,37H,5,8,17-23H2,1H3/t28-,29-/m0/s1 | Reactome pathway
KEGG
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PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190267
(4'-methoxy-biphenyl-4-carboxylic acid methyl-{(S)-...)Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@@H](C1)NCCCc1ccccc1 Show InChI InChI=1S/C33H40N4O3/c1-35(32(38)28-12-10-26(11-13-28)27-14-16-31(40-2)17-15-27)30-19-22-37(24-30)33(39)36-21-18-29(23-36)34-20-6-9-25-7-4-3-5-8-25/h3-5,7-8,10-17,29-30,34H,6,9,18-24H2,1-2H3/t29-,30-/m0/s1 | Reactome pathway
KEGG
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| CHEMBL
PC cid
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| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190296
(4'-trifluoromethyl-biphenyl-4-carboxylic acid meth...)Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NCCCc1ccccc1)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C33H37F3N4O2/c1-38(31(41)27-11-9-25(10-12-27)26-13-15-28(16-14-26)33(34,35)36)30-18-21-40(23-30)32(42)39-20-17-29(22-39)37-19-5-8-24-6-3-2-4-7-24/h2-4,6-7,9-16,29-30,37H,5,8,17-23H2,1H3/t29-,30+/m1/s1 | Reactome pathway
KEGG
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| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190263
(4'-trifluoromethyl-biphenyl-4-carboxylic acid meth...)Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@@H](C1)NCCCc1ccccc1)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C33H37F3N4O2/c1-38(31(41)27-11-9-25(10-12-27)26-13-15-28(16-14-26)33(34,35)36)30-18-21-40(23-30)32(42)39-20-17-29(22-39)37-19-5-8-24-6-3-2-4-7-24/h2-4,6-7,9-16,29-30,37H,5,8,17-23H2,1H3/t29-,30-/m0/s1 | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190293
(4'-trifluoromethyl-biphenyl-4-carboxylic acid {(S)...)Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NCC1CCC1)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H35F3N4O2/c1-34(27(37)23-7-5-21(6-8-23)22-9-11-24(12-10-22)29(30,31)32)26-14-16-36(19-26)28(38)35-15-13-25(18-35)33-17-20-3-2-4-20/h5-12,20,25-26,33H,2-4,13-19H2,1H3/t25-,26+/m1/s1 | Reactome pathway
KEGG
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| CHEMBL
PC cid
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UniChem
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| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190281
(4'-trifluoromethyl-biphenyl-4-carboxylic acid {(S)...)Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NCC1CCCCC1)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C31H39F3N4O2/c1-36(29(39)25-9-7-23(8-10-25)24-11-13-26(14-12-24)31(32,33)34)28-16-18-38(21-28)30(40)37-17-15-27(20-37)35-19-22-5-3-2-4-6-22/h7-14,22,27-28,35H,2-6,15-21H2,1H3/t27-,28+/m1/s1 | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190261
(4'-trifluoromethyl-biphenyl-4-carboxylic acid meth...)Show SMILES CC1CCC(CC1)N[C@@H]1CCN(C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F |wU:18.22,wD:8.8,(35.05,-22.48,;35.8,-21.14,;35.02,-19.81,;35.76,-18.47,;37.3,-18.45,;38.1,-19.76,;37.34,-21.11,;38.04,-17.1,;36.94,-16.03,;35.69,-16.92,;34.45,-16,;34.95,-14.55,;36.49,-14.56,;34.14,-13.24,;34.87,-11.88,;32.6,-13.29,;31.65,-12.07,;30.21,-12.59,;30.26,-14.13,;31.73,-14.56,;28.93,-14.91,;28.94,-16.45,;27.59,-14.15,;27.58,-12.61,;26.26,-14.93,;26.27,-16.47,;24.94,-17.24,;23.61,-16.47,;23.59,-14.94,;24.92,-14.16,;22.28,-17.25,;22.29,-18.8,;20.94,-19.57,;19.61,-18.8,;19.62,-17.26,;20.94,-16.49,;18.28,-19.57,;16.94,-20.33,;19.04,-20.91,;17.51,-18.23,)| Show InChI InChI=1S/C31H39F3N4O2/c1-21-3-13-26(14-4-21)35-27-15-17-37(19-27)30(40)38-18-16-28(20-38)36(2)29(39)24-7-5-22(6-8-24)23-9-11-25(12-10-23)31(32,33)34/h5-12,21,26-28,35H,3-4,13-20H2,1-2H3/t21?,26?,27-,28+/m1/s1 | Reactome pathway
KEGG
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PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190303
(4'-trifluoromethyl-biphenyl-4-carboxylic acid [(S)...)Show SMILES CN(CCC(C)(C)c1ccc(Cl)cc1)[C@@H]1CCN(C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C36H42ClF3N4O2/c1-35(2,28-13-15-30(37)16-14-28)19-22-41(3)31-17-20-43(23-31)34(46)44-21-18-32(24-44)42(4)33(45)27-7-5-25(6-8-27)26-9-11-29(12-10-26)36(38,39)40/h5-16,31-32H,17-24H2,1-4H3/t31-,32+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190290
(4'-trifluoromethyl-biphenyl-4-carboxylic acid ((S)...)Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NCCC(C)(C)c1ccc(Cl)cc1)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C35H40ClF3N4O2/c1-34(2,27-12-14-29(36)15-13-27)18-19-40-30-16-20-42(22-30)33(45)43-21-17-31(23-43)41(3)32(44)26-6-4-24(5-7-26)25-8-10-28(11-9-25)35(37,38)39/h4-15,30-31,40H,16-23H2,1-3H3/t30-,31+/m1/s1 | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190274
(4'-trifluoromethyl-biphenyl-4-carboxylic acid meth...)Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NCCCC(F)(F)F)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H32F6N4O2/c1-36(25(39)21-5-3-19(4-6-21)20-7-9-22(10-8-20)28(32,33)34)24-12-16-38(18-24)26(40)37-15-11-23(17-37)35-14-2-13-27(29,30)31/h3-10,23-24,35H,2,11-18H2,1H3/t23-,24+/m1/s1 | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190291
(4'-trifluoromethyl-biphenyl-4-carboxylic acid meth...)Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NCCc1ccccc1)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C32H35F3N4O2/c1-37(30(40)26-9-7-24(8-10-26)25-11-13-27(14-12-25)32(33,34)35)29-17-20-39(22-29)31(41)38-19-16-28(21-38)36-18-15-23-5-3-2-4-6-23/h2-14,28-29,36H,15-22H2,1H3/t28-,29+/m1/s1 | Reactome pathway
KEGG
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UniChem
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190297
(4'-trifluoromethyl-biphenyl-4-carboxylic acid ((S)...)Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NCCOc1ccc(F)cc1)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C32H34F4N4O3/c1-38(30(41)24-4-2-22(3-5-24)23-6-8-25(9-7-23)32(34,35)36)28-15-18-40(21-28)31(42)39-17-14-27(20-39)37-16-19-43-29-12-10-26(33)11-13-29/h2-13,27-28,37H,14-21H2,1H3/t27-,28+/m1/s1 | Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190272
(4'-fluoro-biphenyl-4-carboxylic acid methyl-{(S)-1...)Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@@H](C1)NCCCc1ccccc1)C(=O)c1ccc(cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C32H37FN4O2/c1-35(31(38)27-11-9-25(10-12-27)26-13-15-28(33)16-14-26)30-18-21-37(23-30)32(39)36-20-17-29(22-36)34-19-5-8-24-6-3-2-4-7-24/h2-4,6-7,9-16,29-30,34H,5,8,17-23H2,1H3/t29-,30-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190302
(4'-trifluoromethyl-biphenyl-4-carboxylic acid {(S)...)Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NC1CCN(CC1)C(C)=O)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C31H38F3N5O3/c1-21(40)37-15-11-26(12-16-37)35-27-13-17-38(19-27)30(42)39-18-14-28(20-39)36(2)29(41)24-5-3-22(4-6-24)23-7-9-25(10-8-23)31(32,33)34/h3-10,26-28,35H,11-20H2,1-2H3/t27-,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 |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190266
(4'-trifluoromethyl-biphenyl-4-carboxylic acid ((S)...)Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@@H](C1)NCCC(C)(C)c1ccc(Cl)cc1)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C35H40ClF3N4O2/c1-34(2,27-12-14-29(36)15-13-27)18-19-40-30-16-20-42(22-30)33(45)43-21-17-31(23-43)41(3)32(44)26-6-4-24(5-7-26)25-8-10-28(11-9-25)35(37,38)39/h4-15,30-31,40H,16-23H2,1-3H3/t30-,31-/m0/s1 | Reactome pathway
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| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190265
(4'-trifluoromethyl-biphenyl-4-carboxylic acid {(S)...)Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NCCCC1CCCCC1)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C33H43F3N4O2/c1-38(31(41)27-11-9-25(10-12-27)26-13-15-28(16-14-26)33(34,35)36)30-18-21-40(23-30)32(42)39-20-17-29(22-39)37-19-5-8-24-6-3-2-4-7-24/h9-16,24,29-30,37H,2-8,17-23H2,1H3/t29-,30+/m1/s1 | Reactome pathway
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| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190298
(4'-trifluoromethyl-biphenyl-4-carboxylic acid {(S)...)Show SMILES CN(CC1CCCCC1)[C@@H]1CCN(C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C32H41F3N4O2/c1-36(20-23-6-4-3-5-7-23)28-16-18-38(21-28)31(41)39-19-17-29(22-39)37(2)30(40)26-10-8-24(9-11-26)25-12-14-27(15-13-25)32(33,34)35/h8-15,23,28-29H,3-7,16-22H2,1-2H3/t28-,29+/m1/s1 | Reactome pathway
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190278
(4'-trifluoromethyl-biphenyl-4-carboxylic acid ((S)...)Show SMILES CN(CCCC1CCCCC1)[C@@H]1CCN(C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C34H45F3N4O2/c1-38(20-6-9-25-7-4-3-5-8-25)30-18-21-40(23-30)33(43)41-22-19-31(24-41)39(2)32(42)28-12-10-26(11-13-28)27-14-16-29(17-15-27)34(35,36)37/h10-17,25,30-31H,3-9,18-24H2,1-2H3/t30-,31+/m1/s1 | Reactome pathway
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190277
(4'-trifluoromethyl-biphenyl-4-carboxylic acid [(S)...)Show SMILES CCN(CCC(C)(C)c1ccc(Cl)cc1)[C@@H]1CCN(C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C37H44ClF3N4O2/c1-5-43(23-20-36(2,3)29-14-16-31(38)17-15-29)33-19-22-45(25-33)35(47)44-21-18-32(24-44)42(4)34(46)28-8-6-26(7-9-28)27-10-12-30(13-11-27)37(39,40)41/h6-17,32-33H,5,18-25H2,1-4H3/t32-,33+/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 |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190289
(4'-trifluoromethyl-biphenyl-4-carboxylic acid {(S)...)Show SMILES CN(CC1CC1)[C@@H]1CCN(C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H35F3N4O2/c1-33(17-20-3-4-20)25-13-15-35(18-25)28(38)36-16-14-26(19-36)34(2)27(37)23-7-5-21(6-8-23)22-9-11-24(12-10-22)29(30,31)32/h5-12,20,25-26H,3-4,13-19H2,1-2H3/t25-,26+/m1/s1 | Reactome pathway
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| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190270
(4'-trifluoromethyl-biphenyl-4-carboxylic acid meth...)Show SMILES CC1CCC(CC1)N(C)[C@@H]1CCN(C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F |wU:19.23,wD:9.9,(25.43,-11.56,;23.89,-11.62,;23.17,-12.99,;21.64,-13.05,;20.82,-11.75,;21.52,-10.38,;23.06,-10.32,;19.28,-11.82,;18.54,-13.17,;18.18,-10.74,;16.93,-11.63,;15.69,-10.71,;16.19,-9.26,;17.73,-9.27,;15.38,-7.95,;16.11,-6.61,;13.84,-8,;12.9,-6.8,;11.45,-7.31,;11.5,-8.85,;12.97,-9.28,;10.17,-9.63,;10.18,-11.17,;8.83,-8.86,;8.82,-7.32,;7.51,-9.64,;7.51,-11.18,;6.18,-11.96,;4.85,-11.19,;4.83,-9.66,;6.16,-8.88,;3.52,-11.96,;3.53,-13.52,;2.18,-14.29,;.85,-13.52,;.86,-11.97,;2.18,-11.2,;-.48,-14.28,;-1.82,-15.04,;.28,-15.62,;-1.25,-12.95,)| Show InChI InChI=1S/C32H41F3N4O2/c1-22-4-14-27(15-5-22)36(2)28-16-18-38(20-28)31(41)39-19-17-29(21-39)37(3)30(40)25-8-6-23(7-9-25)24-10-12-26(13-11-24)32(33,34)35/h6-13,22,27-29H,4-5,14-21H2,1-3H3/t22?,27?,28-,29+/m1/s1 | Reactome pathway
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| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190282
(4'-trifluoromethyl-biphenyl-4-carboxylic acid ((S)...)Show SMILES CN([C@@H]1CCN(C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C1CCN(CC1)C(C)=O Show InChI InChI=1S/C32H40F3N5O3/c1-22(41)38-16-12-27(13-17-38)36(2)28-14-18-39(20-28)31(43)40-19-15-29(21-40)37(3)30(42)25-6-4-23(5-7-25)24-8-10-26(11-9-24)32(33,34)35/h4-11,27-29H,12-21H2,1-3H3/t28-,29+/m1/s1 | Reactome pathway
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| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190301
(4'-trifluoromethyl-biphenyl-4-carboxylic acid [(S)...)Show SMILES CN(C)[C@@H]1CCN(C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C26H31F3N4O2/c1-30(2)22-12-14-32(16-22)25(35)33-15-13-23(17-33)31(3)24(34)20-6-4-18(5-7-20)19-8-10-21(11-9-19)26(27,28)29/h4-11,22-23H,12-17H2,1-3H3/t22-,23+/m1/s1 | Reactome pathway
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| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190264
(4'-trifluoromethyl-biphenyl-4-carboxylic acid {(S)...)Show SMILES CC(C)CN(C)[C@@H]1CCN(C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H37F3N4O2/c1-20(2)17-33(3)25-13-15-35(18-25)28(38)36-16-14-26(19-36)34(4)27(37)23-7-5-21(6-8-23)22-9-11-24(12-10-22)29(30,31)32/h5-12,20,25-26H,13-19H2,1-4H3/t25-,26+/m1/s1 | Reactome pathway
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| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190271
(4'-trifluoromethyl-biphenyl-4-carboxylic acid meth...)Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NCCn1cccc1)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C30H34F3N5O2/c1-35(28(39)24-6-4-22(5-7-24)23-8-10-25(11-9-23)30(31,32)33)27-13-18-38(21-27)29(40)37-17-12-26(20-37)34-14-19-36-15-2-3-16-36/h2-11,15-16,26-27,34H,12-14,17-21H2,1H3/t26-,27+/m1/s1 | Reactome pathway
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| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190294
(4'-trifluoromethyl-biphenyl-4-carboxylic acid {(S)...)Show SMILES CN(CC1CCC1)[C@@H]1CCN(C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C30H37F3N4O2/c1-34(18-21-4-3-5-21)26-14-16-36(19-26)29(39)37-17-15-27(20-37)35(2)28(38)24-8-6-22(7-9-24)23-10-12-25(13-11-23)30(31,32)33/h6-13,21,26-27H,3-5,14-20H2,1-2H3/t26-,27+/m1/s1 | Reactome pathway
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| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190283
(4-(6-methoxy-pyridin-3-yl)-N-methyl-N-{(S)-1-[(S)-...)Show SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@@H](C1)NCCCc1ccccc1 Show InChI InChI=1S/C32H39N5O3/c1-35(31(38)26-12-10-25(11-13-26)27-14-15-30(40-2)34-21-27)29-17-20-37(23-29)32(39)36-19-16-28(22-36)33-18-6-9-24-7-4-3-5-8-24/h3-5,7-8,10-15,21,28-29,33H,6,9,16-20,22-23H2,1-2H3/t28-,29-/m0/s1 | Reactome pathway
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| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190262
(4'-trifluoromethyl-biphenyl-4-carboxylic acid [(S)...)Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@H](C1)N(CCC(C)(C)c1ccc(Cl)cc1)C(C)=O)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C37H42ClF3N4O3/c1-25(46)45(22-19-36(2,3)29-13-15-31(38)16-14-29)33-18-21-44(24-33)35(48)43-20-17-32(23-43)42(4)34(47)28-7-5-26(6-8-28)27-9-11-30(12-10-27)37(39,40)41/h5-16,32-33H,17-24H2,1-4H3/t32-,33+/m0/s1 | Reactome pathway
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| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190273
(4'-cyano-biphenyl-4-carboxylic acid methyl-{(S)-1-...)Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@@H](C1)NCCCc1ccccc1)C(=O)c1ccc(cc1)-c1ccc(cc1)C#N Show InChI InChI=1S/C33H37N5O2/c1-36(32(39)29-15-13-28(14-16-29)27-11-9-26(22-34)10-12-27)31-18-21-38(24-31)33(40)37-20-17-30(23-37)35-19-5-8-25-6-3-2-4-7-25/h2-4,6-7,9-16,30-31,35H,5,8,17-21,23-24H2,1H3/t30-,31-/m0/s1 | Reactome pathway
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PC sid
UniChem
Similars
| Article
PubMed
| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190260
(4'-trifluoromethyl-biphenyl-4-carboxylic acid [(S)...)Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@@H](N)C1)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C24H27F3N4O2/c1-29(21-11-13-31(15-21)23(33)30-12-10-20(28)14-30)22(32)18-4-2-16(3-5-18)17-6-8-19(9-7-17)24(25,26)27/h2-9,20-21H,10-15,28H2,1H3/t20-,21+/m1/s1 | Reactome pathway
KEGG
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PC sid
UniChem
Patents
Similars
| Article
PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190287
(4'-trifluoromethyl-biphenyl-4-carboxylic acid meth...)Show SMILES CN([C@@H]1CCN(C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C1CCOCC1 Show InChI InChI=1S/C30H37F3N4O3/c1-34(25-13-17-40-18-14-25)26-11-15-36(19-26)29(39)37-16-12-27(20-37)35(2)28(38)23-5-3-21(4-6-23)22-7-9-24(10-8-22)30(31,32)33/h3-10,25-27H,11-20H2,1-2H3/t26-,27+/m1/s1 | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190295
(4'-trifluoromethyl-biphenyl-4-carboxylic acid meth...)Show SMILES CN[C@@H]1CCN(C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C25H29F3N4O2/c1-29-21-11-13-31(15-21)24(34)32-14-12-22(16-32)30(2)23(33)19-5-3-17(4-6-19)18-7-9-20(10-8-18)25(26,27)28/h3-10,21-22,29H,11-16H2,1-2H3/t21-,22+/m1/s1 | Reactome pathway
KEGG
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PC sid
UniChem
Patents
Similars
| Article
PubMed
| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190258
(4'-trifluoromethyl-biphenyl-4-carboxylic acid {(S)...)Show SMILES CCN(C)[C@@H]1CCN(C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H33F3N4O2/c1-4-31(2)23-13-15-33(17-23)26(36)34-16-14-24(18-34)32(3)25(35)21-7-5-19(6-8-21)20-9-11-22(12-10-20)27(28,29)30/h5-12,23-24H,4,13-18H2,1-3H3/t23-,24+/m1/s1 | Reactome pathway
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190275
(4'-(methyl-{(S)-1-[(S)-3-(3-phenyl-propylamino)-py...)Show SMILES COC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@@H](C1)NCCCc1ccccc1 Show InChI InChI=1S/C34H40N4O4/c1-36(32(39)28-14-10-26(11-15-28)27-12-16-29(17-13-27)33(40)42-2)31-19-22-38(24-31)34(41)37-21-18-30(23-37)35-20-6-9-25-7-4-3-5-8-25/h3-5,7-8,10-17,30-31,35H,6,9,18-24H2,1-2H3/t30-,31-/m0/s1 | Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190292
(4'-trifluoromethyl-biphenyl-4-carboxylic acid meth...)Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NCc1ccc(C)o1)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C30H33F3N4O3/c1-20-3-12-27(40-20)17-34-25-13-15-36(18-25)29(39)37-16-14-26(19-37)35(2)28(38)23-6-4-21(5-7-23)22-8-10-24(11-9-22)30(31,32)33/h3-12,25-26,34H,13-19H2,1-2H3/t25-,26+/m1/s1 | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190288
(4'-trifluoromethyl-biphenyl-4-carboxylic acid meth...)Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NCc1ccccn1)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C30H32F3N5O2/c1-36(28(39)23-7-5-21(6-8-23)22-9-11-24(12-10-22)30(31,32)33)27-14-17-38(20-27)29(40)37-16-13-26(19-37)35-18-25-4-2-3-15-34-25/h2-12,15,26-27,35H,13-14,16-20H2,1H3/t26-,27+/m1/s1 | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190286
(CHEMBL213465 | N-methyl-N-{(S)-1-[(S)-3-(3-phenyl-...)Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@@H](C1)NCCCc1ccccc1)C(=O)c1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C31H37N5O2/c1-34(30(37)26-13-11-25(12-14-26)27-10-6-17-32-21-27)29-16-20-36(23-29)31(38)35-19-15-28(22-35)33-18-5-9-24-7-3-2-4-8-24/h2-4,6-8,10-14,17,21,28-29,33H,5,9,15-16,18-20,22-23H2,1H3/t28-,29-/m0/s1 | Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190284
(CHEMBL214946 | biphenyl-4,4'-dicarboxylic acid 4-a...)Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@@H](C1)NCCCc1ccccc1)C(=O)c1ccc(cc1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C33H39N5O3/c1-36(32(40)28-15-11-26(12-16-28)25-9-13-27(14-10-25)31(34)39)30-18-21-38(23-30)33(41)37-20-17-29(22-37)35-19-5-8-24-6-3-2-4-7-24/h2-4,6-7,9-16,29-30,35H,5,8,17-23H2,1H3,(H2,34,39)/t29-,30-/m0/s1 | Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190276
(CHEMBL379395 | N-methyl-N-{(S)-1-[(S)-3-(3-phenyl-...)Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@@H](C1)NCCCc1ccccc1)C(=O)c1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C31H37N5O2/c1-34(30(37)27-11-9-25(10-12-27)26-13-18-32-19-14-26)29-16-21-36(23-29)31(38)35-20-15-28(22-35)33-17-5-8-24-6-3-2-4-7-24/h2-4,6-7,9-14,18-19,28-29,33H,5,8,15-17,20-23H2,1H3/t28-,29-/m0/s1 | Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190299
(4-(5-methoxy-pyridin-3-yl)-N-methyl-N-{(S)-1-[(S)-...)Show SMILES COc1cncc(c1)-c1ccc(cc1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@@H](C1)NCCCc1ccccc1 Show InChI InChI=1S/C32H39N5O3/c1-35(31(38)26-12-10-25(11-13-26)27-19-30(40-2)21-33-20-27)29-15-18-37(23-29)32(39)36-17-14-28(22-36)34-16-6-9-24-7-4-3-5-8-24/h3-5,7-8,10-13,19-21,28-29,34H,6,9,14-18,22-23H2,1-2H3/t28-,29-/m0/s1 | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190269
(4'-acetylamino-biphenyl-4-carboxylic acid methyl-{...)Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@@H](C1)NCCCc1ccccc1)C(=O)c1ccc(cc1)-c1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C34H41N5O3/c1-25(40)36-30-16-14-28(15-17-30)27-10-12-29(13-11-27)33(41)37(2)32-19-22-39(24-32)34(42)38-21-18-31(23-38)35-20-6-9-26-7-4-3-5-8-26/h3-5,7-8,10-17,31-32,35H,6,9,18-24H2,1-2H3,(H,36,40)/t31-,32-/m0/s1 | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190259
(CHEMBL212829 | N-methyl-N-{(S)-1-[(S)-3-(3-phenyl-...)Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@@H](C1)NCCCc1ccccc1)C(=O)c1ccc(cc1)-c1cncnc1 Show InChI InChI=1S/C30H36N6O2/c1-34(29(37)25-11-9-24(10-12-25)26-18-31-22-32-19-26)28-14-17-36(21-28)30(38)35-16-13-27(20-35)33-15-5-8-23-6-3-2-4-7-23/h2-4,6-7,9-12,18-19,22,27-28,33H,5,8,13-17,20-21H2,1H3/t27-,28-/m0/s1 | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190285
(4'-methanesulfonylamino-biphenyl-4-carboxylic acid...)Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@@H](C1)NCCCc1ccccc1)C(=O)c1ccc(cc1)-c1ccc(NS(C)(=O)=O)cc1 Show InChI InChI=1S/C33H41N5O4S/c1-36(32(39)28-12-10-26(11-13-28)27-14-16-29(17-15-27)35-43(2,41)42)31-19-22-38(24-31)33(40)37-21-18-30(23-37)34-20-6-9-25-7-4-3-5-8-25/h3-5,7-8,10-17,30-31,34-35H,6,9,18-24H2,1-2H3/t30-,31-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50190268
(4'-methylsulfanyl-biphenyl-4-carboxylic acid methy...)Show SMILES CSc1ccc(cc1)-c1ccc(cc1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@@H](C1)NCCCc1ccccc1 Show InChI InChI=1S/C33H40N4O2S/c1-35(32(38)28-12-10-26(11-13-28)27-14-16-31(40-2)17-15-27)30-19-22-37(24-30)33(39)36-21-18-29(23-36)34-20-6-9-25-7-4-3-5-8-25/h3-5,7-8,10-17,29-30,34H,6,9,18-24H2,1-2H3/t29-,30-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells assessed by inhibition of MCH-stimulated G protein-GTPgamma35S binding |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50190261
(4'-trifluoromethyl-biphenyl-4-carboxylic acid meth...)Show SMILES CC1CCC(CC1)N[C@@H]1CCN(C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F |wU:18.22,wD:8.8,(35.05,-22.48,;35.8,-21.14,;35.02,-19.81,;35.76,-18.47,;37.3,-18.45,;38.1,-19.76,;37.34,-21.11,;38.04,-17.1,;36.94,-16.03,;35.69,-16.92,;34.45,-16,;34.95,-14.55,;36.49,-14.56,;34.14,-13.24,;34.87,-11.88,;32.6,-13.29,;31.65,-12.07,;30.21,-12.59,;30.26,-14.13,;31.73,-14.56,;28.93,-14.91,;28.94,-16.45,;27.59,-14.15,;27.58,-12.61,;26.26,-14.93,;26.27,-16.47,;24.94,-17.24,;23.61,-16.47,;23.59,-14.94,;24.92,-14.16,;22.28,-17.25,;22.29,-18.8,;20.94,-19.57,;19.61,-18.8,;19.62,-17.26,;20.94,-16.49,;18.28,-19.57,;16.94,-20.33,;19.04,-20.91,;17.51,-18.23,)| Show InChI InChI=1S/C31H39F3N4O2/c1-21-3-13-26(14-4-21)35-27-15-17-37(19-27)30(40)38-18-16-28(20-38)36(2)29(39)24-7-5-22(6-8-24)23-9-11-25(12-10-23)31(32,33)34/h5-12,21,26-28,35H,3-4,13-20H2,1-2H3/t21?,26?,27-,28+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50190300
((S)-3-[methyl-(4'-trifluoromethyl-biphenyl-4-carbo...)Show SMILES CN([C@@H]1CCN(CCCc2ccc(Cl)cc2)C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C34H38ClF3N4O2/c1-39(32(43)27-9-7-25(8-10-27)26-11-13-28(14-12-26)34(36,37)38)31-18-21-42(23-31)33(44)40(2)30-17-20-41(22-30)19-3-4-24-5-15-29(35)16-6-24/h5-16,30-31H,3-4,17-23H2,1-2H3/t30-,31+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HERG potassium channel expressed in HEK cells by whole cell patch clamp method |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50190296
(4'-trifluoromethyl-biphenyl-4-carboxylic acid meth...)Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NCCCc1ccccc1)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C33H37F3N4O2/c1-38(31(41)27-11-9-25(10-12-27)26-13-15-28(16-14-26)33(34,35)36)30-18-21-40(23-30)32(42)39-20-17-29(22-39)37-19-5-8-24-6-3-2-4-7-24/h2-4,6-7,9-16,29-30,37H,5,8,17-23H2,1H3/t29-,30+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50190290
(4'-trifluoromethyl-biphenyl-4-carboxylic acid ((S)...)Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NCCC(C)(C)c1ccc(Cl)cc1)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C35H40ClF3N4O2/c1-34(2,27-12-14-29(36)15-13-27)18-19-40-30-16-20-42(22-30)33(45)43-21-17-31(23-43)41(3)32(44)26-6-4-24(5-7-26)25-8-10-28(11-9-25)35(37,38)39/h4-15,30-31,40H,16-23H2,1-3H3/t30-,31+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HERG potassium channel expressed in HEK cells by whole cell patch clamp method |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50190290
(4'-trifluoromethyl-biphenyl-4-carboxylic acid ((S)...)Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NCCC(C)(C)c1ccc(Cl)cc1)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C35H40ClF3N4O2/c1-34(2,27-12-14-29(36)15-13-27)18-19-40-30-16-20-42(22-30)33(45)43-21-17-31(23-43)41(3)32(44)26-6-4-24(5-7-26)25-8-10-28(11-9-25)35(37,38)39/h4-15,30-31,40H,16-23H2,1-3H3/t30-,31+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 16: 4450-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC |
More data for this
Ligand-Target Pair | |
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