Found 783 hits with Last Name = 'aparicio' and Initial = 'a' 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)) | BDBM50207882
(4'-(2,4-dioxo-1-phenyl-3-m-tolyl-1,3,8-triaza-spir...)Show SMILES Cc1cccc(c1)N1C(=O)N(c2ccccc2)C2(CCN(Cc3ccc(cc3)-c3cccc(c3)C#N)CC2)C1=O Show InChI InChI=1S/C34H30N4O2/c1-25-7-5-12-31(21-25)37-32(39)34(38(33(37)40)30-10-3-2-4-11-30)17-19-36(20-18-34)24-26-13-15-28(16-14-26)29-9-6-8-27(22-29)23-35/h2-16,21-22H,17-20,24H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| 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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207875
(4'-[3-(3-methoxy-phenyl)-2,4-dioxo-1-phenyl-1,3,8-...)Show SMILES COc1cccc(c1)N1C(=O)N(c2ccccc2)C2(CCN(Cc3ccc(cc3)-c3cccc(c3)C#N)CC2)C1=O Show InChI InChI=1S/C34H30N4O3/c1-41-31-12-6-11-30(22-31)37-32(39)34(38(33(37)40)29-9-3-2-4-10-29)17-19-36(20-18-34)24-25-13-15-27(16-14-25)28-8-5-7-26(21-28)23-35/h2-16,21-22H,17-20,24H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| 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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207867
(1-(2-fluoro-benzyl)-3-(3-methoxy-phenyl)-8-[4-(4-m...)Show SMILES COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3cnccc3OC)CC2)C1=O Show InChI InChI=1S/C34H33FN4O4/c1-42-28-8-5-7-27(20-28)39-32(40)34(38(33(39)41)23-26-6-3-4-9-30(26)35)15-18-37(19-16-34)22-24-10-12-25(13-11-24)29-21-36-17-14-31(29)43-2/h3-14,17,20-21H,15-16,18-19,22-23H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207891
(5-chloro-4'-(2,4-dioxo-1-phenyl-1,3,8-triaza-spiro...)Show SMILES Clc1cc(cc(c1)-c1ccc(CN2CCC3(CC2)N(C(=O)NC3=O)c2ccccc2)cc1)C#N Show InChI InChI=1S/C27H23ClN4O2/c28-23-15-20(17-29)14-22(16-23)21-8-6-19(7-9-21)18-31-12-10-27(11-13-31)25(33)30-26(34)32(27)24-4-2-1-3-5-24/h1-9,14-16H,10-13,18H2,(H,30,33,34) | Reactome pathway
KEGG
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
| 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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207885
(5-{4-[1-(2-fluoro-benzyl)-3-(3-methoxy-phenyl)-2,4...)Show SMILES COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3cncc(c3)C#N)CC2)C1=O Show InChI InChI=1S/C34H30FN5O3/c1-43-30-7-4-6-29(18-30)40-32(41)34(39(33(40)42)23-27-5-2-3-8-31(27)35)13-15-38(16-14-34)22-24-9-11-26(12-10-24)28-17-25(19-36)20-37-21-28/h2-12,17-18,20-21H,13-16,22-23H2,1H3 | Reactome pathway
KEGG
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PC cid
PC sid
UniChem
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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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207864
(4'-[1-cyclohexyl-3-(3-methoxy-phenyl)-2,4-dioxo-1,...)Show SMILES COc1cccc(c1)N1C(=O)N(C2CCCCC2)C2(CCN(Cc3ccc(cc3)-c3cccc(c3)C#N)CC2)C1=O Show InChI InChI=1S/C34H36N4O3/c1-41-31-12-6-11-30(22-31)37-32(39)34(38(33(37)40)29-9-3-2-4-10-29)17-19-36(20-18-34)24-25-13-15-27(16-14-25)28-8-5-7-26(21-28)23-35/h5-8,11-16,21-22,29H,2-4,9-10,17-20,24H2,1H3 | Reactome pathway
KEGG
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PC cid
PC sid
UniChem
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| 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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207884
(1-(2-fluoro-benzyl)-3-(3-methoxy-phenyl)-8-[4-(5-m...)Show SMILES COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3cncc(OC)c3)CC2)C1=O Show InChI InChI=1S/C34H33FN4O4/c1-42-29-8-5-7-28(19-29)39-32(40)34(38(33(39)41)23-26-6-3-4-9-31(26)35)14-16-37(17-15-34)22-24-10-12-25(13-11-24)27-18-30(43-2)21-36-20-27/h3-13,18-21H,14-17,22-23H2,1-2H3 | Reactome pathway
KEGG
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| Article
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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207886
(4'-[1-cyclohexylmethyl-3-(3-methoxy-phenyl)-2,4-di...)Show SMILES COc1cccc(c1)N1C(=O)N(CC2CCCCC2)C2(CCN(Cc3ccc(cc3)-c3cccc(c3)C#N)CC2)C1=O Show InChI InChI=1S/C35H38N4O3/c1-42-32-12-6-11-31(22-32)39-33(40)35(38(34(39)41)25-26-7-3-2-4-8-26)17-19-37(20-18-35)24-27-13-15-29(16-14-27)30-10-5-9-28(21-30)23-36/h5-6,9-16,21-22,26H,2-4,7-8,17-20,24-25H2,1H3 | Reactome pathway
KEGG
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PC cid
PC sid
UniChem
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| 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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207874
(3-({4'-[1-(2-fluoro-benzyl)-3-(3-methoxy-phenyl)-2...)Show SMILES COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3cccc(c3)N(C)CCC#N)CC2)C1=O Show InChI InChI=1S/C38H38FN5O3/c1-41(21-7-20-40)32-10-5-9-30(24-32)29-16-14-28(15-17-29)26-42-22-18-38(19-23-42)36(45)44(33-11-6-12-34(25-33)47-2)37(46)43(38)27-31-8-3-4-13-35(31)39/h3-6,8-17,24-25H,7,18-19,21-23,26-27H2,1-2H3 | Reactome pathway
KEGG
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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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207876
(8-[4-(6-amino-pyridin-3-yl)-benzyl]-1-(2-fluoro-be...)Show SMILES COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3ccc(N)nc3)CC2)C1=O Show InChI InChI=1S/C33H32FN5O3/c1-42-28-7-4-6-27(19-28)39-31(40)33(38(32(39)41)22-26-5-2-3-8-29(26)34)15-17-37(18-16-33)21-23-9-11-24(12-10-23)25-13-14-30(35)36-20-25/h2-14,19-20H,15-18,21-22H2,1H3,(H2,35,36) | Reactome pathway
KEGG
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PC cid
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UniChem
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| Article
PubMed
| 20 | 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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207873
(4'-[1-(2-fluoro-benzyl)-3-(3-methoxy-phenyl)-2,4-d...)Show SMILES COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3cccc(c3)C#N)CC2)C1=O Show InChI InChI=1S/C35H31FN4O3/c1-43-31-10-5-9-30(21-31)40-33(41)35(39(34(40)42)24-29-7-2-3-11-32(29)36)16-18-38(19-17-35)23-25-12-14-27(15-13-25)28-8-4-6-26(20-28)22-37/h2-15,20-21H,16-19,23-24H2,1H3 | Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20 | 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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207871
(1-(2-fluoro-benzyl)-8-(4-imidazol-1-yl-benzyl)-3-n...)Show SMILES Fc1ccccc1CN1C(=O)N(C(=O)C11CCN(Cc2ccc(cc2)-n2ccnc2)CC1)c1cccc2ccccc12 Show InChI InChI=1S/C34H30FN5O2/c35-30-10-4-2-7-27(30)23-39-33(42)40(31-11-5-8-26-6-1-3-9-29(26)31)32(41)34(39)16-19-37(20-17-34)22-25-12-14-28(15-13-25)38-21-18-36-24-38/h1-15,18,21,24H,16-17,19-20,22-23H2 | Reactome pathway
KEGG
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Similars
| Article
PubMed
| 25 | 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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207890
(1-(2-fluoro-benzyl)-3-(3-methoxy-phenyl)-8-(4-pyri...)Show SMILES COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3ccncc3)CC2)C1=O Show InChI InChI=1S/C33H31FN4O3/c1-41-29-7-4-6-28(21-29)38-31(39)33(37(32(38)40)23-27-5-2-3-8-30(27)34)15-19-36(20-16-33)22-24-9-11-25(12-10-24)26-13-17-35-18-14-26/h2-14,17-18,21H,15-16,19-20,22-23H2,1H3 | Reactome pathway
KEGG
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PC cid
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UniChem
Similars
| Article
PubMed
| 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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207898
(4'-(2,4-dioxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-...)Show SMILES O=C1NC(=O)C2(CCN(Cc3ccc(cc3)-c3cccc(c3)C#N)CC2)N1c1ccccc1 Show InChI InChI=1S/C27H24N4O2/c28-18-21-5-4-6-23(17-21)22-11-9-20(10-12-22)19-30-15-13-27(14-16-30)25(32)29-26(33)31(27)24-7-2-1-3-8-24/h1-12,17H,13-16,19H2,(H,29,32,33) | Reactome pathway
KEGG
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PubMed
| 45 | 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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207872
(1-(2-fluoro-benzyl)-8-(4-imidazol-1-yl-benzyl)-3-(...)Show SMILES COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-n3ccnc3)CC2)C1=O Show InChI InChI=1S/C31H30FN5O3/c1-40-27-7-4-6-26(19-27)37-29(38)31(36(30(37)39)21-24-5-2-3-8-28(24)32)13-16-34(17-14-31)20-23-9-11-25(12-10-23)35-18-15-33-22-35/h2-12,15,18-19,22H,13-14,16-17,20-21H2,1H3 | Reactome pathway
KEGG
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PubMed
| 50 | 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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207878
(4'-[1-cyclopropylmethyl-3-(3-methoxy-phenyl)-2,4-d...)Show SMILES COc1cccc(c1)N1C(=O)N(CC2CC2)C2(CCN(Cc3ccc(cc3)-c3cccc(c3)C#N)CC2)C1=O Show InChI InChI=1S/C32H32N4O3/c1-39-29-7-3-6-28(19-29)36-30(37)32(35(31(36)38)22-24-8-9-24)14-16-34(17-15-32)21-23-10-12-26(13-11-23)27-5-2-4-25(18-27)20-33/h2-7,10-13,18-19,24H,8-9,14-17,21-22H2,1H3 | Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 84 | 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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207895
(1-(2-fluoro-benzyl)-3-(3-methoxy-phenyl)-8-(4-pyri...)Show SMILES COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3cccnc3)CC2)C1=O Show InChI InChI=1S/C33H31FN4O3/c1-41-29-9-4-8-28(20-29)38-31(39)33(37(32(38)40)23-27-6-2-3-10-30(27)34)15-18-36(19-16-33)22-24-11-13-25(14-12-24)26-7-5-17-35-21-26/h2-14,17,20-21H,15-16,18-19,22-23H2,1H3 | Reactome pathway
KEGG
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UniChem
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| Article
PubMed
| 89 | 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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207887
(8-(3'-acetyl-biphenyl-4-ylmethyl)-1-(2-fluoro-benz...)Show SMILES COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3cccc(c3)C(C)=O)CC2)C1=O Show InChI InChI=1S/C36H34FN3O4/c1-25(41)28-8-5-9-29(21-28)27-15-13-26(14-16-27)23-38-19-17-36(18-20-38)34(42)40(31-10-6-11-32(22-31)44-2)35(43)39(36)24-30-7-3-4-12-33(30)37/h3-16,21-22H,17-20,23-24H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 92 | 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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207903
(4'-[1-cyclopropyl-3-(3-methoxy-phenyl)-2,4-dioxo-1...)Show SMILES COc1cccc(c1)N1C(=O)N(C2CC2)C2(CCN(Cc3ccc(cc3)-c3cccc(c3)C#N)CC2)C1=O Show InChI InChI=1S/C31H30N4O3/c1-38-28-7-3-6-27(19-28)34-29(36)31(35(30(34)37)26-12-13-26)14-16-33(17-15-31)21-22-8-10-24(11-9-22)25-5-2-4-23(18-25)20-32/h2-11,18-19,26H,12-17,21H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 100 | 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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207896
(1-(2-fluoro-benzyl)-8-(4-imidazol-1-yl-benzyl)-3-p...)Show SMILES Fc1ccccc1CN1C(=O)N(C(=O)C11CCN(Cc2ccc(cc2)-n2ccnc2)CC1)c1ccccc1 Show InChI InChI=1S/C30H28FN5O2/c31-27-9-5-4-6-24(27)21-35-29(38)36(26-7-2-1-3-8-26)28(37)30(35)14-17-33(18-15-30)20-23-10-12-25(13-11-23)34-19-16-32-22-34/h1-13,16,19,22H,14-15,17-18,20-21H2 | Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 115 | 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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207905
(CHEMBL389811 | N-{4'-[1-(2-fluoro-benzyl)-3-(3-met...)Show SMILES COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3cccc(NC(C)=O)c3)CC2)C1=O Show InChI InChI=1S/C36H35FN4O4/c1-25(42)38-30-9-5-8-28(21-30)27-15-13-26(14-16-27)23-39-19-17-36(18-20-39)34(43)41(31-10-6-11-32(22-31)45-2)35(44)40(36)24-29-7-3-4-12-33(29)37/h3-16,21-22H,17-20,23-24H2,1-2H3,(H,38,42) | Reactome pathway
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| 150 | 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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207897
(3-benzyl-1-(2-fluoro-benzyl)-8-(4-imidazol-1-yl-be...)Show SMILES Fc1ccccc1CN1C(=O)N(Cc2ccccc2)C(=O)C11CCN(Cc2ccc(cc2)-n2ccnc2)CC1 Show InChI InChI=1S/C31H30FN5O2/c32-28-9-5-4-8-26(28)22-37-30(39)36(21-24-6-2-1-3-7-24)29(38)31(37)14-17-34(18-15-31)20-25-10-12-27(13-11-25)35-19-16-33-23-35/h1-13,16,19,23H,14-15,17-18,20-22H2 | Reactome pathway
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| 150 | 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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207883
(4'-[3-(3-methoxy-phenyl)-1-methyl-2,4-dioxo-1,3,8-...)Show SMILES COc1cccc(c1)N1C(=O)N(C)C2(CCN(Cc3ccc(cc3)-c3cccc(c3)C#N)CC2)C1=O Show InChI InChI=1S/C29H28N4O3/c1-31-28(35)33(25-7-4-8-26(18-25)36-2)27(34)29(31)13-15-32(16-14-29)20-21-9-11-23(12-10-21)24-6-3-5-22(17-24)19-30/h3-12,17-18H,13-16,20H2,1-2H3 | Reactome pathway
KEGG
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PC sid
UniChem
Similars
| 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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207877
(3-butyl-1-(2-fluoro-benzyl)-8-(4-imidazol-1-yl-ben...)Show SMILES CCCCN1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-n3ccnc3)CC2)C1=O Show InChI InChI=1S/C28H32FN5O2/c1-2-3-15-33-26(35)28(34(27(33)36)20-23-6-4-5-7-25(23)29)12-16-31(17-13-28)19-22-8-10-24(11-9-22)32-18-14-30-21-32/h4-11,14,18,21H,2-3,12-13,15-17,19-20H2,1H3 | Reactome pathway
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| 200 | 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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207888
(4'-[1-(2-fluoro-benzyl)-3-(3-methoxy-phenyl)-2,4-d...)Show SMILES COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3ccc(cc3)C#N)CC2)C1=O Show InChI InChI=1S/C35H31FN4O3/c1-43-31-7-4-6-30(21-31)40-33(41)35(39(34(40)42)24-29-5-2-3-8-32(29)36)17-19-38(20-18-35)23-26-11-15-28(16-12-26)27-13-9-25(22-37)10-14-27/h2-16,21H,17-20,23-24H2,1H3 | Reactome pathway
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| 210 | 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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207865
(8-[4-(4-chloro-pyridin-3-yl)-benzyl]-1-(2-fluoro-b...)Show SMILES COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3cnccc3Cl)CC2)C1=O Show InChI InChI=1S/C33H30ClFN4O3/c1-42-27-7-4-6-26(19-27)39-31(40)33(38(32(39)41)22-25-5-2-3-8-30(25)35)14-17-37(18-15-33)21-23-9-11-24(12-10-23)28-20-36-16-13-29(28)34/h2-13,16,19-20H,14-15,17-18,21-22H2,1H3 | Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 230 | 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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207869
(4'-[3-(3-methoxy-phenyl)-2,4-dioxo-1,3,8-triaza-sp...)Show SMILES COc1cccc(c1)N1C(=O)NC2(CCN(Cc3ccc(cc3)-c3cccc(c3)C#N)CC2)C1=O Show InChI InChI=1S/C28H26N4O3/c1-35-25-7-3-6-24(17-25)32-26(33)28(30-27(32)34)12-14-31(15-13-28)19-20-8-10-22(11-9-20)23-5-2-4-21(16-23)18-29/h2-11,16-17H,12-15,19H2,1H3,(H,30,34) | Reactome pathway
KEGG
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UniChem
Similars
| Article
PubMed
| 280 | 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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207881
(1-(2-fluoro-benzyl)-3-(3-methoxy-phenyl)-8-[4-(2-m...)Show SMILES COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-n3ccnc3C)CC2)C1=O Show InChI InChI=1S/C32H32FN5O3/c1-23-34-16-19-36(23)26-12-10-24(11-13-26)21-35-17-14-32(15-18-35)30(39)38(27-7-5-8-28(20-27)41-2)31(40)37(32)22-25-6-3-4-9-29(25)33/h3-13,16,19-20H,14-15,17-18,21-22H2,1-2H3 | Reactome pathway
KEGG
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UniChem
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| Article
PubMed
| 300 | 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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207893
(1-(2-fluoro-benzyl)-3-(3-methoxy-phenyl)-8-[4-(6-m...)Show SMILES COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3ccc(OC)nc3)CC2)C1=O Show InChI InChI=1S/C34H33FN4O4/c1-42-29-8-5-7-28(20-29)39-32(40)34(38(33(39)41)23-27-6-3-4-9-30(27)35)16-18-37(19-17-34)22-24-10-12-25(13-11-24)26-14-15-31(43-2)36-21-26/h3-15,20-21H,16-19,22-23H2,1-2H3 | Reactome pathway
KEGG
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UniChem
Similars
| Article
PubMed
| 315 | 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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207900
(1-(2-fluoro-benzyl)-3-(3-methoxy-phenyl)-8-(4-pyri...)Show SMILES COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3cncnc3)CC2)C1=O Show InChI InChI=1S/C32H30FN5O3/c1-41-28-7-4-6-27(17-28)38-30(39)32(37(31(38)40)21-25-5-2-3-8-29(25)33)13-15-36(16-14-32)20-23-9-11-24(12-10-23)26-18-34-22-35-19-26/h2-12,17-19,22H,13-16,20-21H2,1H3 | Reactome pathway
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| 330 | 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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207868
(3-cyclohexyl-1-(2-fluoro-benzyl)-8-(4-imidazol-1-y...)Show SMILES Fc1ccccc1CN1C(=O)N(C2CCCCC2)C(=O)C11CCN(Cc2ccc(cc2)-n2ccnc2)CC1 Show InChI InChI=1S/C30H34FN5O2/c31-27-9-5-4-6-24(27)21-35-29(38)36(26-7-2-1-3-8-26)28(37)30(35)14-17-33(18-15-30)20-23-10-12-25(13-11-23)34-19-16-32-22-34/h4-6,9-13,16,19,22,26H,1-3,7-8,14-15,17-18,20-21H2 | Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 340 | 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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207866
(1-(2-fluoro-benzyl)-8-(4-imidazol-1-yl-benzyl)-3-(...)Show SMILES Fc1ccccc1CN1C(=O)N(C2CCCc3ccccc23)C(=O)C11CCN(Cc2ccc(cc2)-n2ccnc2)CC1 |w:12.12| Show InChI InChI=1S/C34H34FN5O2/c35-30-10-4-2-7-27(30)23-39-33(42)40(31-11-5-8-26-6-1-3-9-29(26)31)32(41)34(39)16-19-37(20-17-34)22-25-12-14-28(15-13-25)38-21-18-36-24-38/h1-4,6-7,9-10,12-15,18,21,24,31H,5,8,11,16-17,19-20,22-23H2 | Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 340 | 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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207902
(1-(2-fluoro-benzyl)-8-(4-imidazol-1-yl-benzyl)-3-p...)Show SMILES Fc1ccccc1CN1C(=O)N(CCc2ccccc2)C(=O)C11CCN(Cc2ccc(cc2)-n2ccnc2)CC1 Show InChI InChI=1S/C32H32FN5O2/c33-29-9-5-4-8-27(29)23-38-31(40)37(18-14-25-6-2-1-3-7-25)30(39)32(38)15-19-35(20-16-32)22-26-10-12-28(13-11-26)36-21-17-34-24-36/h1-13,17,21,24H,14-16,18-20,22-23H2 | Reactome pathway
KEGG
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PC cid
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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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207899
(1-(2-fluoro-benzyl)-8-(3'-methoxy-biphenyl-4-ylmet...)Show SMILES COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3cccc(OC)c3)CC2)C1=O Show InChI InChI=1S/C35H34FN3O4/c1-42-30-10-5-8-27(21-30)26-15-13-25(14-16-26)23-37-19-17-35(18-20-37)33(40)39(29-9-6-11-31(22-29)43-2)34(41)38(35)24-28-7-3-4-12-32(28)36/h3-16,21-22H,17-20,23-24H2,1-2H3 | Reactome pathway
KEGG
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PubMed
| 620 | 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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207870
(1-(2-fluoro-benzyl)-3-(3-methoxy-phenyl)-8-[4-(6-m...)Show SMILES COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3ccc(C)nc3)CC2)C1=O Show InChI InChI=1S/C34H33FN4O3/c1-24-10-13-27(21-36-24)26-14-11-25(12-15-26)22-37-18-16-34(17-19-37)32(40)39(29-7-5-8-30(20-29)42-2)33(41)38(34)23-28-6-3-4-9-31(28)35/h3-15,20-21H,16-19,22-23H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207889
(3-ethyl-1-(2-fluoro-benzyl)-8-(4-imidazol-1-yl-ben...)Show SMILES CCN1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-n3ccnc3)CC2)C1=O Show InChI InChI=1S/C26H28FN5O2/c1-2-31-24(33)26(32(25(31)34)18-21-5-3-4-6-23(21)27)11-14-29(15-12-26)17-20-7-9-22(10-8-20)30-16-13-28-19-30/h3-10,13,16,19H,2,11-12,14-15,17-18H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10E+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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207879
(1-(2-fluoro-benzyl)-3-(3-methoxy-phenyl)-8-(4-pyrr...)Show SMILES COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-n3cccc3)CC2)C1=O Show InChI InChI=1S/C32H31FN4O3/c1-40-28-9-6-8-27(21-28)37-30(38)32(36(31(37)39)23-25-7-2-3-10-29(25)33)15-19-34(20-16-32)22-24-11-13-26(14-12-24)35-17-4-5-18-35/h2-14,17-18,21H,15-16,19-20,22-23H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.50E+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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207892
(1-(2-fluoro-benzyl)-8-(4-imidazol-1-yl-benzyl)-1,3...)Show SMILES Fc1ccccc1CN1C(=O)NC(=O)C11CCN(Cc2ccc(cc2)-n2ccnc2)CC1 Show InChI InChI=1S/C24H24FN5O2/c25-21-4-2-1-3-19(21)16-30-23(32)27-22(31)24(30)9-12-28(13-10-24)15-18-5-7-20(8-6-18)29-14-11-26-17-29/h1-8,11,14,17H,9-10,12-13,15-16H2,(H,27,31,32) | Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.10E+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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207904
(1-(2-fluoro-benzyl)-8-(3'-hydroxy-biphenyl-4-ylmet...)Show SMILES COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3cccc(O)c3)CC2)C1=O Show InChI InChI=1S/C34H32FN3O4/c1-42-30-10-5-8-28(21-30)38-32(40)34(37(33(38)41)23-27-6-2-3-11-31(27)35)16-18-36(19-17-34)22-24-12-14-25(15-13-24)26-7-4-9-29(39)20-26/h2-15,20-21,39H,16-19,22-23H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90E+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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207901
(CHEMBL412007 | N-{4'-[1-(2-fluoro-benzyl)-3-(3-met...)Show SMILES COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3cccc(NS(C)(=O)=O)c3)CC2)C1=O Show InChI InChI=1S/C35H35FN4O5S/c1-45-31-11-6-10-30(22-31)40-33(41)35(39(34(40)42)24-28-7-3-4-12-32(28)36)17-19-38(20-18-35)23-25-13-15-26(16-14-25)27-8-5-9-29(21-27)37-46(2,43)44/h3-16,21-22,37H,17-20,23-24H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.00E+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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207880
(8-biphenyl-4-ylmethyl-1-(2-fluoro-benzyl)-3-(3-met...)Show SMILES COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3ccccc3)CC2)C1=O Show InChI InChI=1S/C34H32FN3O3/c1-41-30-12-7-11-29(22-30)38-32(39)34(37(33(38)40)24-28-10-5-6-13-31(28)35)18-20-36(21-19-34)23-25-14-16-27(17-15-25)26-8-3-2-4-9-26/h2-17,22H,18-21,23-24H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.30E+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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50207894
(4'-[1-(2-fluoro-benzyl)-3-(3-methoxy-phenyl)-2,4-d...)Show SMILES COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3ccccc3C#N)CC2)C1=O Show InChI InChI=1S/C35H31FN4O3/c1-43-30-10-6-9-29(21-30)40-33(41)35(39(34(40)42)24-28-8-3-5-12-32(28)36)17-19-38(20-18-35)23-25-13-15-26(16-14-25)31-11-4-2-7-27(31)22-37/h2-16,21H,17-20,23-24H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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] from human MCH-R1 expressed in HEK 293 cells |
Bioorg Med Chem Lett 17: 2171-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.104
BindingDB Entry DOI: 10.7270/Q20C4VF3 |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50508703
(CHEMBL4563316)Show SMILES CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CCC(CF)CC2)cc1)c1cccc(O)c1 |t:1| Show InChI InChI=1S/C30H32FNO4/c1-20-27-18-25(34)7-10-28(27)36-30(29(20)23-3-2-4-24(33)17-23)22-5-8-26(9-6-22)35-16-15-32-13-11-21(19-31)12-14-32/h2-10,17-18,21,30,33-34H,11-16,19H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Seragon Pharmaceuticals
Curated by ChEMBL
| Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay |
ACS Med Chem Lett 10: 50-55 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00414
BindingDB Entry DOI: 10.7270/Q29P34ZN |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM368203
(US10227334, Example (S)-3-(3-Hydroxyphenyl)-4-meth...)Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC[C@@H](C)C1 |c:22| Show InChI InChI=1S/C30H33NO4/c1-19-13-14-31(17-19)20(2)18-34-26-10-7-22(8-11-26)30-29(23-5-4-6-24(32)15-23)21(3)27-16-25(33)9-12-28(27)35-30/h4-12,15-16,19-20,30,32-33H,13-14,17-18H2,1-3H3/t19-,20+,30+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Seragon Pharmaceuticals
Curated by ChEMBL
| Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay |
ACS Med Chem Lett 10: 50-55 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00414
BindingDB Entry DOI: 10.7270/Q29P34ZN |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM368203
(US10227334, Example (S)-3-(3-Hydroxyphenyl)-4-meth...)Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC[C@@H](C)C1 |c:22| Show InChI InChI=1S/C30H33NO4/c1-19-13-14-31(17-19)20(2)18-34-26-10-7-22(8-11-26)30-29(23-5-4-6-24(32)15-23)21(3)27-16-25(33)9-12-28(27)35-30/h4-12,15-16,19-20,30,32-33H,13-14,17-18H2,1-3H3/t19-,20+,30+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Induction of ERalpha degradation in human MCF7 cells in phenol red free RPMI medium containing 5% charcoal dextran-treated FBS incubated for 4 hrs by... |
J Med Chem 61: 7917-7928 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00921
BindingDB Entry DOI: 10.7270/Q2MP55SC |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50508708
(CHEMBL4438260)Show SMILES CC1=C([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccc(F)cc1 |r,t:1| Show InChI InChI=1S/C28H27F2NO3/c1-18-25-14-23(32)8-11-26(25)34-28(27(18)20-2-6-22(30)7-3-20)21-4-9-24(10-5-21)33-13-12-31-16-19(15-29)17-31/h2-11,14,19,28,32H,12-13,15-17H2,1H3/t28-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Seragon Pharmaceuticals
Curated by ChEMBL
| Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay |
ACS Med Chem Lett 10: 50-55 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00414
BindingDB Entry DOI: 10.7270/Q29P34ZN |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50368807
(CHEMBL4164869)Show SMILES C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1ccc(O)cc1)N1CC[C@@H](C)C1 |r,c:22| Show InChI InChI=1S/C30H33NO4/c1-19-14-15-31(17-19)20(2)18-34-26-11-6-23(7-12-26)30-29(22-4-8-24(32)9-5-22)21(3)27-16-25(33)10-13-28(27)35-30/h4-13,16,19-20,30,32-33H,14-15,17-18H2,1-3H3/t19-,20+,30?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Induction of ERalpha degradation in human MCF7 cells in phenol red free RPMI medium containing 5% charcoal dextran-treated FBS incubated for 4 hrs by... |
J Med Chem 61: 7917-7928 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00921
BindingDB Entry DOI: 10.7270/Q2MP55SC |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM368199
((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...)Show SMILES CC1=C([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1cccc(O)c1 |r,t:1| Show InChI InChI=1S/C28H28FNO4/c1-18-25-14-23(32)7-10-26(25)34-28(27(18)21-3-2-4-22(31)13-21)20-5-8-24(9-6-20)33-12-11-30-16-19(15-29)17-30/h2-10,13-14,19,28,31-32H,11-12,15-17H2,1H3/t28-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Seragon Pharmaceuticals
Curated by ChEMBL
| Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay |
ACS Med Chem Lett 10: 50-55 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00414
BindingDB Entry DOI: 10.7270/Q29P34ZN |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50508700
(CHEMBL4453442)Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC[C@@H](CF)C1 |r,c:22| Show InChI InChI=1S/C30H32FNO4/c1-19(32-13-12-21(16-31)17-32)18-35-26-9-6-22(7-10-26)30-29(23-4-3-5-24(33)14-23)20(2)27-15-25(34)8-11-28(27)36-30/h3-11,14-15,19,21,30,33-34H,12-13,16-18H2,1-2H3/t19-,21-,30-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Seragon Pharmaceuticals
Curated by ChEMBL
| Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay |
ACS Med Chem Lett 10: 50-55 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00414
BindingDB Entry DOI: 10.7270/Q29P34ZN |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50508704
(CHEMBL4435067)Show SMILES CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CC[C@@H](CF)C2)cc1)c1cccc(O)c1 |r,t:1| Show InChI InChI=1S/C29H30FNO4/c1-19-26-16-24(33)7-10-27(26)35-29(28(19)22-3-2-4-23(32)15-22)21-5-8-25(9-6-21)34-14-13-31-12-11-20(17-30)18-31/h2-10,15-16,20,29,32-33H,11-14,17-18H2,1H3/t20-,29?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Seragon Pharmaceuticals
Curated by ChEMBL
| Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay |
ACS Med Chem Lett 10: 50-55 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00414
BindingDB Entry DOI: 10.7270/Q29P34ZN |
More data for this
Ligand-Target Pair | |
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