Found 1418 hits with Last Name = 'qian' and Initial = 'l' 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 |
|---|
Metabotropic glutamate receptor 1
(RAT) | BDBM50345941
(9-(2-Methyl-allylamino)-3-p-tolyl-3H-pyrido[3',2':...)Show SMILES CC(=C)CNc1ccnc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12 Show InChI InChI=1S/C20H18N4OS/c1-12(2)10-22-15-8-9-21-19-16(15)17-18(26-19)20(25)24(11-23-17)14-6-4-13(3)5-7-14/h4-9,11H,1,10H2,2-3H3,(H,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at rat mGluR1 |
Bioorg Med Chem Lett 19: 3199-203 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50306314
((R)-N-(4-(7-chloro-8-hydroxy-3-methyl-2,3,4,5-tetr...)Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccc(CN(C2CCC2)C(C)=O)cc1 |r| Show InChI InChI=1S/C24H29ClN2O2/c1-16(28)27(20-4-3-5-20)14-17-6-8-18(9-7-17)22-15-26(2)11-10-19-12-23(25)24(29)13-21(19)22/h6-9,12-13,20,22,29H,3-5,10-11,14-15H2,1-2H3/t22-/m1/s1 | PDB
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PC sid
UniChem
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| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D1 receptor |
Bioorg Med Chem Lett 20: 836-40 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50345942
(3-(4-Methoxy-phenyl)-9-(2-methyl-allylamino)-3H-py...)Show SMILES COc1ccc(cc1)-n1cnc2c(sc3nccc(NCC(C)=C)c23)c1=O Show InChI InChI=1S/C20H18N4O2S/c1-12(2)10-22-15-8-9-21-19-16(15)17-18(27-19)20(25)24(11-23-17)13-4-6-14(26-3)7-5-13/h4-9,11H,1,10H2,2-3H3,(H,21,22) | PDB
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PC sid
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| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at rat mGluR1 |
Bioorg Med Chem Lett 19: 3199-203 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/B
(RAT) | BDBM50231010
(CHEMBL312066)Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(OCC)ccc2[n+]1[O-] Show InChI InChI=1S/C28H26N6O5/c1-3-5-10-22-27(29-25-21(34(22)37)15-16-23(38-4-2)24(25)28(35)36)39-18-13-11-17(12-14-18)19-8-6-7-9-20(19)26-30-32-33-31-26/h6-9,11-16H,3-5,10H2,1-2H3,(H,35,36)(H,30,31,32,33) | PDB
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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity of compound in presence of bovine serum albumin (BSA) at 0% against rat adrenal Angiotensin II receptor, type 1 |
J Med Chem 36: 2335-42 (1993)
Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50306316
((R)-N-(4-(7-chloro-8-hydroxy-3-methyl-2,3,4,5-tetr...)Show SMILES CN(Cc1ccc(cc1)[C@H]1CN(C)CCc2cc(Cl)c(O)cc12)S(C)(=O)=O |r| Show InChI InChI=1S/C20H25ClN2O3S/c1-22-9-8-16-10-19(21)20(24)11-17(16)18(13-22)15-6-4-14(5-7-15)12-23(2)27(3,25)26/h4-7,10-11,18,24H,8-9,12-13H2,1-3H3/t18-/m1/s1 | PDB
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D1 receptor |
Bioorg Med Chem Lett 20: 836-40 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50306315
((R)-N-(4-(7-chloro-8-hydroxy-3-methyl-2,3,4,5-tetr...)Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccc(CN(C2CCC2)S(C)(=O)=O)cc1 |r| Show InChI InChI=1S/C23H29ClN2O3S/c1-25-11-10-18-12-22(24)23(27)13-20(18)21(15-25)17-8-6-16(7-9-17)14-26(30(2,28)29)19-4-3-5-19/h6-9,12-13,19,21,27H,3-5,10-11,14-15H2,1-2H3/t21-/m1/s1 | PDB
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D1 receptor |
Bioorg Med Chem Lett 20: 836-40 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50306322
(CHEMBL597909 | N-((6aS,13bR)-11-chloro-12-hydroxy-...)Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1cc(NS(C)(=O)=O)ccc21 |r| Show InChI InChI=1S/C20H23ClN2O3S/c1-23-8-7-13-10-17(21)19(24)11-16(13)20-15-5-4-14(22-27(2,25)26)9-12(15)3-6-18(20)23/h4-5,9-11,18,20,22,24H,3,6-8H2,1-2H3/t18-,20+/m0/s1 | PDB
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| Article
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D1 receptor |
Bioorg Med Chem Lett 20: 836-40 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50306317
((R)-N-(4-(7-chloro-8-hydroxy-3-methyl-2,3,4,5-tetr...)Show SMILES CN(Cc1ccc(cc1)[C@H]1CN(C)CCc2cc(Cl)c(O)cc12)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C25H27ClN2O3S/c1-27-13-12-20-14-24(26)25(29)15-22(20)23(17-27)19-10-8-18(9-11-19)16-28(2)32(30,31)21-6-4-3-5-7-21/h3-11,14-15,23,29H,12-13,16-17H2,1-2H3/t23-/m1/s1 | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D1 receptor |
Bioorg Med Chem Lett 20: 836-40 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50345947
(3-(4-Chloro-phenyl)-9-prop-2-ynylamino-3H-pyrido[3...)Show SMILES Clc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#C)c23)c1=O Show InChI InChI=1S/C18H11ClN4OS/c1-2-8-20-13-7-9-21-17-14(13)15-16(25-17)18(24)23(10-22-15)12-5-3-11(19)4-6-12/h1,3-7,9-10H,8H2,(H,20,21) | PDB
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| Article
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at rat mGluR1 |
Bioorg Med Chem Lett 19: 3199-203 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50306319
((R)-5-(4-((benzyl(2,4-difluorophenyl)amino)methyl)...)Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccc(CN(Cc2ccccc2)c2ccc(F)cc2F)cc1 |r| Show InChI InChI=1S/C31H29ClF2N2O/c1-35-14-13-24-15-28(32)31(37)17-26(24)27(20-35)23-9-7-22(8-10-23)19-36(18-21-5-3-2-4-6-21)30-12-11-25(33)16-29(30)34/h2-12,15-17,27,37H,13-14,18-20H2,1H3/t27-/m1/s1 | PDB
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PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D1 receptor |
Bioorg Med Chem Lett 20: 836-40 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50345934
(9-Allylamino-3-(4-bromo-phenyl)-3H-pyrido[3',2':4,...)Show SMILES Brc1ccc(cc1)-n1cnc2c(sc3nccc(NCC=C)c23)c1=O Show InChI InChI=1S/C18H13BrN4OS/c1-2-8-20-13-7-9-21-17-14(13)15-16(25-17)18(24)23(10-22-15)12-5-3-11(19)4-6-12/h2-7,9-10H,1,8H2,(H,20,21) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at rat mGluR1 |
Bioorg Med Chem Lett 19: 3199-203 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50306325
(1-((6aS,13bR)-11-chloro-12-hydroxy-7-methyl-6,6a,7...)Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1cc(NC(=O)Nc3c(Cl)cccc3Cl)ccc21 |r| Show InChI InChI=1S/C26H24Cl3N3O2/c1-32-10-9-15-12-21(29)23(33)13-18(15)24-17-7-6-16(11-14(17)5-8-22(24)32)30-26(34)31-25-19(27)3-2-4-20(25)28/h2-4,6-7,11-13,22,24,33H,5,8-10H2,1H3,(H2,30,31,34)/t22-,24+/m0/s1 | PDB
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| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D1 receptor |
Bioorg Med Chem Lett 20: 836-40 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50345950
(3-(4-Bromo-phenyl)-9-prop-2-ynylamino-3H-pyrido[3'...)Show SMILES Brc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#C)c23)c1=O Show InChI InChI=1S/C18H11BrN4OS/c1-2-8-20-13-7-9-21-17-14(13)15-16(25-17)18(24)23(10-22-15)12-5-3-11(19)4-6-12/h1,3-7,9-10H,8H2,(H,20,21) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at rat mGluR1 |
Bioorg Med Chem Lett 19: 3199-203 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50306323
(CHEMBL600986 | N-((6aS,13bR)-11-chloro-12-hydroxy-...)Show SMILES CCS(=O)(=O)Nc1ccc2[C@H]3[C@H](CCc2c1)N(C)CCc1cc(Cl)c(O)cc31 |r| Show InChI InChI=1S/C21H25ClN2O3S/c1-3-28(26,27)23-15-5-6-16-13(10-15)4-7-19-21(16)17-12-20(25)18(22)11-14(17)8-9-24(19)2/h5-6,10-12,19,21,23,25H,3-4,7-9H2,1-2H3/t19-,21+/m0/s1 | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D1 receptor |
Bioorg Med Chem Lett 20: 836-40 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50306313
((R)-8-chloro-5-(4-((cyclobutylamino)methyl)phenyl)...)Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccc(CNC2CCC2)cc1 |r| Show InChI InChI=1S/C22H27ClN2O/c1-25-10-9-17-11-21(23)22(26)12-19(17)20(14-25)16-7-5-15(6-8-16)13-24-18-3-2-4-18/h5-8,11-12,18,20,24,26H,2-4,9-10,13-14H2,1H3/t20-/m1/s1 | PDB
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D1 receptor |
Bioorg Med Chem Lett 20: 836-40 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50186790
(4-(1-benzyl-piperidin-4-yl)-4-(3'-cyano-biphenyl-4...)Show SMILES Fc1ccc(NC(=O)CCC(C2CCN(Cc3ccccc3)CC2)c2ccc(cc2)-c2cccc(c2)C#N)cc1F Show InChI InChI=1S/C35H33F2N3O/c36-33-15-13-31(22-34(33)37)39-35(41)16-14-32(29-17-19-40(20-18-29)24-25-5-2-1-3-6-25)28-11-9-27(10-12-28)30-8-4-7-26(21-30)23-38/h1-13,15,21-22,29,32H,14,16-20,24H2,(H,39,41) | Reactome pathway
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay |
Bioorg Med Chem Lett 16: 3668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50345931
(9-Allylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':...)Show SMILES COc1ccc(cc1)-n1cnc2c(sc3nccc(NCC=C)c23)c1=O Show InChI InChI=1S/C19H16N4O2S/c1-3-9-20-14-8-10-21-18-15(14)16-17(26-18)19(24)23(11-22-16)12-4-6-13(25-2)7-5-12/h3-8,10-11H,1,9H2,2H3,(H,20,21) | PDB
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PC sid
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| Article
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at rat mGluR1 |
Bioorg Med Chem Lett 19: 3199-203 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50345933
(9-Allylamino-3-(4-chloro-phenyl)-3H-pyrido[3',2':4...)Show SMILES Clc1ccc(cc1)-n1cnc2c(sc3nccc(NCC=C)c23)c1=O Show InChI InChI=1S/C18H13ClN4OS/c1-2-8-20-13-7-9-21-17-14(13)15-16(25-17)18(24)23(10-22-15)12-5-3-11(19)4-6-12/h2-7,9-10H,1,8H2,(H,20,21) | PDB
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UniChem
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| Article
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at rat mGluR1 |
Bioorg Med Chem Lett 19: 3199-203 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50186811
(4a-(3'-cyano-biphenyl-4-yl)-N-(3,4-difluoro-phenyl...)Show SMILES Fc1ccc(NC(=O)CCC(C2CCNCC2)c2ccc(cc2)-c2cccc(c2)C#N)cc1F Show InChI InChI=1S/C28H27F2N3O/c29-26-10-8-24(17-27(26)30)33-28(34)11-9-25(22-12-14-32-15-13-22)21-6-4-20(5-7-21)23-3-1-2-19(16-23)18-31/h1-8,10,16-17,22,25,32H,9,11-15H2,(H,33,34) | Reactome pathway
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay |
Bioorg Med Chem Lett 16: 3668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50345940
(3-(4-Chloro-phenyl)-9-(2-methyl-allylamino)-3H-pyr...)Show SMILES CC(=C)CNc1ccnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12 Show InChI InChI=1S/C19H15ClN4OS/c1-11(2)9-22-14-7-8-21-18-15(14)16-17(26-18)19(25)24(10-23-16)13-5-3-12(20)4-6-13/h3-8,10H,1,9H2,2H3,(H,21,22) | PDB
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at rat mGluR1 |
Bioorg Med Chem Lett 19: 3199-203 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ |
More data for this
Ligand-Target Pair | |
D(1B) dopamine receptor
(Homo sapiens (Human)) | BDBM50306317
((R)-N-(4-(7-chloro-8-hydroxy-3-methyl-2,3,4,5-tetr...)Show SMILES CN(Cc1ccc(cc1)[C@H]1CN(C)CCc2cc(Cl)c(O)cc12)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C25H27ClN2O3S/c1-27-13-12-20-14-24(26)25(29)15-22(20)23(17-27)19-10-8-18(9-11-19)16-28(2)32(30,31)21-6-4-3-5-7-21/h3-11,14-15,23,29H,12-13,16-17H2,1-2H3/t23-/m1/s1 | PDB
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D5 receptor |
Bioorg Med Chem Lett 20: 836-40 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50004823
((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1ccccc21 Show InChI InChI=1S/C19H20ClNO/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21/h2-5,10-11,17,19,22H,6-9H2,1H3/t17-,19+/m0/s1 | PDB
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D1 receptor |
Bioorg Med Chem Lett 20: 836-40 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50306334
((6aS,13bR)-11-chloro-7-methyl-2-((4-(pyridin-2-yl)...)Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1ccc(CN3CCN(CC3)c3ccccn3)cc21 |r| Show InChI InChI=1S/C29H33ClN4O/c1-32-11-9-22-17-25(30)27(35)18-24(22)29-23-16-20(5-6-21(23)7-8-26(29)32)19-33-12-14-34(15-13-33)28-4-2-3-10-31-28/h2-6,10,16-18,26,29,35H,7-9,11-15,19H2,1H3/t26-,29+/m0/s1 | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D2 receptor |
Bioorg Med Chem Lett 20: 836-40 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/B
(RAT) | BDBM50231010
(CHEMBL312066)Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(OCC)ccc2[n+]1[O-] Show InChI InChI=1S/C28H26N6O5/c1-3-5-10-22-27(29-25-21(34(22)37)15-16-23(38-4-2)24(25)28(35)36)39-18-13-11-17(12-14-18)19-8-6-7-9-20(19)26-30-32-33-31-26/h6-9,11-16H,3-5,10H2,1-2H3,(H,35,36)(H,30,31,32,33) | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II |
J Med Chem 36: 2335-42 (1993)
Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/B
(RAT) | BDBM50231010
(CHEMBL312066)Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(OCC)ccc2[n+]1[O-] Show InChI InChI=1S/C28H26N6O5/c1-3-5-10-22-27(29-25-21(34(22)37)15-16-23(38-4-2)24(25)28(35)36)39-18-13-11-17(12-14-18)19-8-6-7-9-20(19)26-30-32-33-31-26/h6-9,11-16H,3-5,10H2,1-2H3,(H,35,36)(H,30,31,32,33) | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity of compound in presence of bovine serum albumin (BSA) at 0.01% against rat adrenal Angiotensin II receptor, type 1 |
J Med Chem 36: 2335-42 (1993)
Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM82247
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1 | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D1 receptor |
Bioorg Med Chem Lett 20: 836-40 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50306326
(CHEMBL603485 | ethyl(6aS,13bR)-11-chloro-12-hydrox...)Show SMILES CCOC(=O)Nc1ccc2[C@H]3[C@H](CCc2c1)N(C)CCc1cc(Cl)c(O)cc31 |r| Show InChI InChI=1S/C22H25ClN2O3/c1-3-28-22(27)24-15-5-6-16-13(10-15)4-7-19-21(16)17-12-20(26)18(23)11-14(17)8-9-25(19)2/h5-6,10-12,19,21,26H,3-4,7-9H2,1-2H3,(H,24,27)/t19-,21+/m0/s1 | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D1 receptor |
Bioorg Med Chem Lett 20: 836-40 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50306324
(1-((6aS,13bR)-11-chloro-12-hydroxy-7-methyl-6,6a,7...)Show SMILES CCNC(=O)Nc1ccc2[C@H]3[C@H](CCc2c1)N(C)CCc1cc(Cl)c(O)cc31 |r| Show InChI InChI=1S/C22H26ClN3O2/c1-3-24-22(28)25-15-5-6-16-13(10-15)4-7-19-21(16)17-12-20(27)18(23)11-14(17)8-9-26(19)2/h5-6,10-12,19,21,27H,3-4,7-9H2,1-2H3,(H2,24,25,28)/t19-,21+/m0/s1 | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D1 receptor |
Bioorg Med Chem Lett 20: 836-40 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50345943
(3-(4-Bromo-phenyl)-9-(2-methyl-allylamino)-3H-pyri...)Show SMILES CC(=C)CNc1ccnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12 Show InChI InChI=1S/C19H15BrN4OS/c1-11(2)9-22-14-7-8-21-18-15(14)16-17(26-18)19(25)24(10-23-16)13-5-3-12(20)4-6-13/h3-8,10H,1,9H2,2H3,(H,21,22) | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at rat mGluR1 |
Bioorg Med Chem Lett 19: 3199-203 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192623
(3-((1R,4R,6R)-4-((5,6-dichloro-1H-benzo[d]imidazol...)Show SMILES CS(=O)(=O)N1CCC(CN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(c2)C#N)c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 Show InChI InChI=1S/C28H31Cl2N5O2S/c1-38(36,37)34-9-6-18(7-10-34)17-35(27-32-25-13-23(29)24(30)14-26(25)33-27)22-5-8-28(15-21(28)12-22)20-4-2-3-19(11-20)16-31/h2-4,11,13-14,18,21-22H,5-10,12,15,17H2,1H3,(H,32,33)/t21-,22+,28+/m0/s1 | Reactome pathway
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding activity against human MCH-R1 |
Bioorg Med Chem Lett 16: 5427-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.058
BindingDB Entry DOI: 10.7270/Q228076K |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50345948
(9-Prop-2-ynylamino-3-p-tolyl-3H-pyrido[3',2':4,5]t...)Show InChI InChI=1S/C19H14N4OS/c1-3-9-20-14-8-10-21-18-15(14)16-17(25-18)19(24)23(11-22-16)13-6-4-12(2)5-7-13/h1,4-8,10-11H,9H2,2H3,(H,20,21) | PDB
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at rat mGluR1 |
Bioorg Med Chem Lett 19: 3199-203 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50306318
((R)-8-chloro-3-methyl-5-(4-((phenylamino)methyl)ph...)Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccc(CNc2ccccc2)cc1 |r| Show InChI InChI=1S/C24H25ClN2O/c1-27-12-11-19-13-23(25)24(28)14-21(19)22(16-27)18-9-7-17(8-10-18)15-26-20-5-3-2-4-6-20/h2-10,13-14,22,26,28H,11-12,15-16H2,1H3/t22-/m1/s1 | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D1 receptor |
Bioorg Med Chem Lett 20: 836-40 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT |
More data for this
Ligand-Target Pair | |
D(1B) dopamine receptor
(Homo sapiens (Human)) | BDBM50004823
((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1ccccc21 Show InChI InChI=1S/C19H20ClNO/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21/h2-5,10-11,17,19,22H,6-9H2,1H3/t17-,19+/m0/s1 | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D5 receptor |
Bioorg Med Chem Lett 20: 836-40 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50186806
(2-[4-(3'-cyano-biphenyl-4-yl)-1-cyclopentyl-piperi...)Show SMILES Clc1cc(Cl)cc(NC(=O)COC2(CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)c1 Show InChI InChI=1S/C31H31Cl2N3O2/c32-26-17-27(33)19-28(18-26)35-30(37)21-38-31(12-14-36(15-13-31)29-6-1-2-7-29)25-10-8-23(9-11-25)24-5-3-4-22(16-24)20-34/h3-5,8-11,16-19,29H,1-2,6-7,12-15,21H2,(H,35,37) | Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay |
Bioorg Med Chem Lett 16: 3668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192637
(3-((1R,4R,6R)-4-((5,6-dichloro-1H-benzo[d]imidazol...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(c2)C#N)c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 Show InChI InChI=1S/C29H34Cl2N6/c1-35-10-12-36(13-11-35)8-3-9-37(28-33-26-16-24(30)25(31)17-27(26)34-28)23-6-7-29(18-22(29)15-23)21-5-2-4-20(14-21)19-32/h2,4-5,14,16-17,22-23H,3,6-13,15,18H2,1H3,(H,33,34)/t22-,23+,29+/m0/s1 | Reactome pathway
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding activity against human MCH-R1 |
Bioorg Med Chem Lett 16: 5427-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.058
BindingDB Entry DOI: 10.7270/Q228076K |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50345955
(3-(4-Chloro-phenyl)-9-(2-methyl-allylamino)-3H-thi...)Show SMILES CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12 Show InChI InChI=1S/C18H14ClN5OS/c1-10(2)7-20-16-13-14-15(26-17(13)22-8-21-16)18(25)24(9-23-14)12-5-3-11(19)4-6-12/h3-6,8-9H,1,7H2,2H3,(H,20,21,22) | PDB
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at rat mGluR1 |
Bioorg Med Chem Lett 19: 3199-203 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50345966
(3-Benzo[b]thiophen-5-yl-9-(2-methyl-allylamino)-3H...)Show SMILES CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc5sccc5c4)c3=O)c12 Show InChI InChI=1S/C20H15N5OS2/c1-11(2)8-21-18-15-16-17(28-19(15)23-9-22-18)20(26)25(10-24-16)13-3-4-14-12(7-13)5-6-27-14/h3-7,9-10H,1,8H2,2H3,(H,21,22,23) | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at rat mGluR1 |
Bioorg Med Chem Lett 19: 3199-203 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50306321
(CHEMBL598516 | N-((6aS,13bR)-11-chloro-12-hydroxy-...)Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1cc(NC(=O)C3CC3)ccc21 |r| Show InChI InChI=1S/C23H25ClN2O2/c1-26-9-8-15-11-19(24)21(27)12-18(15)22-17-6-5-16(25-23(28)13-2-3-13)10-14(17)4-7-20(22)26/h5-6,10-13,20,22,27H,2-4,7-9H2,1H3,(H,25,28)/t20-,22+/m0/s1 | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D1 receptor |
Bioorg Med Chem Lett 20: 836-40 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50306333
(CHEMBL601634 | N-((6aS,13bS)-11-chloro-12-hydroxy-...)Show SMILES CCC(=O)Nc1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31 |r| Show InChI InChI=1S/C22H25ClN2O2/c1-3-21(27)24-18-6-4-5-15-14(18)7-8-19-22(15)16-12-20(26)17(23)11-13(16)9-10-25(19)2/h4-6,11-12,19,22,26H,3,7-10H2,1-2H3,(H,24,27)/t19-,22+/m0/s1 | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D1 receptor |
Bioorg Med Chem Lett 20: 836-40 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50306331
(1-((6aS,13bS)-11-chloro-12-hydroxy-7-methyl-6,6a,7...)Show SMILES CCNC(=O)Nc1cccc2[C@H]3[C@H](CCc12)N(C)CCc1cc(Cl)c(O)cc31 |r| Show InChI InChI=1S/C22H26ClN3O2/c1-3-24-22(28)25-18-6-4-5-15-14(18)7-8-19-21(15)16-12-20(27)17(23)11-13(16)9-10-26(19)2/h4-6,11-12,19,21,27H,3,7-10H2,1-2H3,(H2,24,25,28)/t19-,21+/m0/s1 | PDB
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| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D1 receptor |
Bioorg Med Chem Lett 20: 836-40 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50192633
(3-((1R,4R,6R)-4-((5,6-dichloro-1H-benzo[d]imidazol...)Show SMILES Clc1cc2nc([nH]c2cc1Cl)N(CN1CCCCC1)[C@@H]1CC[C@@]2(C[C@@H]2C1)c1cccc(c1)C#N Show InChI InChI=1S/C27H29Cl2N5/c28-22-13-24-25(14-23(22)29)32-26(31-24)34(17-33-9-2-1-3-10-33)21-7-8-27(15-20(27)12-21)19-6-4-5-18(11-19)16-30/h4-6,11,13-14,20-21H,1-3,7-10,12,15,17H2,(H,31,32)/t20-,21+,27+/m0/s1 | Reactome pathway
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding activity against human MCH-R1 |
Bioorg Med Chem Lett 16: 5427-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.058
BindingDB Entry DOI: 10.7270/Q228076K |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50169389
(1-[4-(3'-Cyano-biphenyl-4-yl)-1-cyclopentyl-piperi...)Show SMILES Clc1cc(Cl)cc(NC(=O)NCC2(CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)c1 Show InChI InChI=1S/C31H32Cl2N4O/c32-26-17-27(33)19-28(18-26)36-30(38)35-21-31(12-14-37(15-13-31)29-6-1-2-7-29)25-10-8-23(9-11-25)24-5-3-4-22(16-24)20-34/h3-5,8-11,16-19,29H,1-2,6-7,12-15,21H2,(H2,35,36,38) | Reactome pathway
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay |
Bioorg Med Chem Lett 16: 3668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50345932
(9-Allylamino-3-p-tolyl-3H-pyrido[3',2':4,5]thieno[...)Show InChI InChI=1S/C19H16N4OS/c1-3-9-20-14-8-10-21-18-15(14)16-17(25-18)19(24)23(11-22-16)13-6-4-12(2)5-7-13/h3-8,10-11H,1,9H2,2H3,(H,20,21) | PDB
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| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at rat mGluR1 |
Bioorg Med Chem Lett 19: 3199-203 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50306327
((6aS,13bS)-4-amino-11-chloro-7-methyl-6,6a,7,8,9,1...)Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(N)cccc21 |r| Show InChI InChI=1S/C19H21ClN2O/c1-22-8-7-11-9-15(20)18(23)10-14(11)19-13-3-2-4-16(21)12(13)5-6-17(19)22/h2-4,9-10,17,19,23H,5-8,21H2,1H3/t17-,19+/m0/s1 | PDB
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| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D1 receptor |
Bioorg Med Chem Lett 20: 836-40 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT |
More data for this
Ligand-Target Pair | |
D(1B) dopamine receptor
(Homo sapiens (Human)) | BDBM82247
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1 | PDB
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| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D5 receptor |
Bioorg Med Chem Lett 20: 836-40 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50345956
(9-(2-Methyl-allylamino)-3-p-tolyl-3H-thieno[2,3-d:...)Show SMILES CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12 Show InChI InChI=1S/C19H17N5OS/c1-11(2)8-20-17-14-15-16(26-18(14)22-9-21-17)19(25)24(10-23-15)13-6-4-12(3)5-7-13/h4-7,9-10H,1,8H2,2-3H3,(H,20,21,22) | PDB
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| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at rat mGluR1 |
Bioorg Med Chem Lett 19: 3199-203 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50186801
(2-[4-(3'-cyano-biphenyl-4-yl)-1-cyclopentyl-piperi...)Show SMILES Clc1cc(Cl)cc(NC(=O)CNC2(CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)c1 Show InChI InChI=1S/C31H32Cl2N4O/c32-26-17-27(33)19-28(18-26)36-30(38)21-35-31(12-14-37(15-13-31)29-6-1-2-7-29)25-10-8-23(9-11-25)24-5-3-4-22(16-24)20-34/h3-5,8-11,16-19,29,35H,1-2,6-7,12-15,21H2,(H,36,38) | Reactome pathway
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay |
Bioorg Med Chem Lett 16: 3668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50186792
(CHEMBL210715 | N-(3-chloro-4-fluoro-phenyl)-2-[4-(...)Show SMILES Fc1ccc(NC(=O)CNC2(CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)cc1Cl Show InChI InChI=1S/C31H32ClFN4O/c32-28-19-26(12-13-29(28)33)36-30(38)21-35-31(14-16-37(17-15-31)27-6-1-2-7-27)25-10-8-23(9-11-25)24-5-3-4-22(18-24)20-34/h3-5,8-13,18-19,27,35H,1-2,6-7,14-17,21H2,(H,36,38) | Reactome pathway
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay |
Bioorg Med Chem Lett 16: 3668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50186770
(2-[4-(3'-cyano-biphenyl-4-yl)-1-cyclopentyl-piperi...)Show SMILES Fc1cc(F)cc(NC(=O)CNC2(CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)c1 Show InChI InChI=1S/C31H32F2N4O/c32-26-17-27(33)19-28(18-26)36-30(38)21-35-31(12-14-37(15-13-31)29-6-1-2-7-29)25-10-8-23(9-11-25)24-5-3-4-22(16-24)20-34/h3-5,8-11,16-19,29,35H,1-2,6-7,12-15,21H2,(H,36,38) | Reactome pathway
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay |
Bioorg Med Chem Lett 16: 3668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(RAT) | BDBM50345939
(9-(Allyl-methyl-amino)-3-(4-bromo-phenyl)-3H-pyrid...)Show SMILES CN(CC=C)c1ccnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12 Show InChI InChI=1S/C19H15BrN4OS/c1-3-10-23(2)14-8-9-21-18-15(14)16-17(26-18)19(25)24(11-22-16)13-6-4-12(20)5-7-13/h3-9,11H,1,10H2,2H3 | PDB
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| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at rat mGluR1 |
Bioorg Med Chem Lett 19: 3199-203 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ |
More data for this
Ligand-Target Pair | |
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