Compile Data Set for Download or QSAR

Found 2112 hits with Last Name = 'thomas' and Initial = 's'   

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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50099273 (6-Fluoro-3-(4-fluoro-piperidin-3-yl)-2-phenyl-1H-i...) Show SMILES F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)-c1ccccc1 Show InChI InChI=1S/C19H18F2N2/c20-13-6-7-14-17(10-13)23-19(12-4-2-1-3-5-12)18(14)15-11-22-9-8-16(15)21/h1-7,10,15-16,22-23H,8-9,11H2/t15?,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-ketanserin binding to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 44: 1603-14 (2001) BindingDB Entry DOI: 10.7270/Q27M076K
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50267614 (4-[Hydroxy(diphenyl)methyl]-1-{2-[(phenylmethyl)ox...) Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2 Show InChI InChI=1S/C29H34NO2/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25/h1-15,31H,16-24H2/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Similars	DrugBank Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl scopalamine from human cloned muscarinic M3 receptor expressed in CHO cells coexpressing Gqi5 by scintillation proximity...				J Med Chem 52: 2493-505 (2009) Article DOI: 10.1021/jm801601v BindingDB Entry DOI: 10.7270/Q2H131X8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50099255 (6-Fluoro-2-(4-fluoro-phenyl)-3-piperidin-3-yl-1H-i...) Show SMILES Fc1ccc(cc1)-c1[nH]c2cc(F)ccc2c1C1CCCNC1 Show InChI InChI=1S/C19H18F2N2/c20-14-5-3-12(4-6-14)19-18(13-2-1-9-22-11-13)16-8-7-15(21)10-17(16)23-19/h3-8,10,13,22-23H,1-2,9,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-ketanserin binding to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 44: 1603-14 (2001) BindingDB Entry DOI: 10.7270/Q27M076K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50099275 (6-Fluoro-3-(4-fluoro-piperidin-3-yl)-1H-indole-2-c...) Show SMILES F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)C(=O)Nc1ccccc1 Show InChI InChI=1S/C20H19F2N3O/c21-12-6-7-14-17(10-12)25-19(18(14)15-11-23-9-8-16(15)22)20(26)24-13-4-2-1-3-5-13/h1-7,10,15-16,23,25H,8-9,11H2,(H,24,26)/t15?,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-ketanserin binding to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 44: 1603-14 (2001) BindingDB Entry DOI: 10.7270/Q27M076K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50099259 (6-Fluoro-3-(4-fluoro-piperidin-3-yl)-2-thiophen-3-...) Show SMILES F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)-c1ccsc1 Show InChI InChI=1S/C17H16F2N2S/c18-11-1-2-12-15(7-11)21-17(10-4-6-22-9-10)16(12)13-8-20-5-3-14(13)19/h1-2,4,6-7,9,13-14,20-21H,3,5,8H2/t13?,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-ketanserin binding to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 44: 1603-14 (2001) BindingDB Entry DOI: 10.7270/Q27M076K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50099269 (6-Fluoro-2-(4-fluoro-phenyl)-3-(4-fluoro-piperidin...) Show SMILES F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)-c1ccc(F)cc1 Show InChI InChI=1S/C19H17F3N2/c20-12-3-1-11(2-4-12)19-18(15-10-23-8-7-16(15)22)14-6-5-13(21)9-17(14)24-19/h1-6,9,15-16,23-24H,7-8,10H2/t15?,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-ketanserin binding to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 44: 1603-14 (2001) BindingDB Entry DOI: 10.7270/Q27M076K
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50267573 (4-[Hydroxy(diphenyl)methyl]-1-[3-(phenyloxy)propyl...) Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2 Show InChI InChI=1S/C29H34NO2/c31-29(25-11-4-1-5-12-25,26-13-6-2-7-14-26)28-17-21-30(22-18-28,23-19-28)20-10-24-32-27-15-8-3-9-16-27/h1-9,11-16,31H,10,17-24H2/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl scopalamine from human cloned muscarinic M3 receptor expressed in CHO cells coexpressing Gqi5 by scintillation proximity...				J Med Chem 52: 2493-505 (2009) Article DOI: 10.1021/jm801601v BindingDB Entry DOI: 10.7270/Q2H131X8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50267614 (4-[Hydroxy(diphenyl)methyl]-1-{2-[(phenylmethyl)ox...) Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2 Show InChI InChI=1S/C29H34NO2/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25/h1-15,31H,16-24H2/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl scopalamine from human cloned muscarinic M2 receptor expressed in CHO cells coexpressing Gqi5 by scintillation proximity...				J Med Chem 52: 2493-505 (2009) Article DOI: 10.1021/jm801601v BindingDB Entry DOI: 10.7270/Q2H131X8
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143096 (3-Phenyl-6-(pyridazin-3-ylmethoxy)-[1,2,4]triazolo...) Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1cccnn1 Show InChI InChI=1S/C20H14N6O/c1-2-7-14(8-3-1)18-23-24-19-16-10-4-5-11-17(16)20(25-26(18)19)27-13-15-9-6-12-21-22-15/h1-12H,13H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits in L(tk-) cells				J Med Chem 47: 1807-22 (2004) Article DOI: 10.1021/jm031020p BindingDB Entry DOI: 10.7270/Q2959H0R
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50267614 (4-[Hydroxy(diphenyl)methyl]-1-{2-[(phenylmethyl)ox...) Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2 Show InChI InChI=1S/C29H34NO2/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25/h1-15,31H,16-24H2/q+1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl scopalamine from human cloned muscarinic M1 receptor expressed in CHO cells coexpressing Gqi5 by scintillation proximity...				J Med Chem 52: 2493-505 (2009) Article DOI: 10.1021/jm801601v BindingDB Entry DOI: 10.7270/Q2H131X8
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D] (Homo sapiens (Human))	BDBM15131 (5-indazolyl pyridine 3 | 5-{5-[(2S)-2-amino-3-(1H-...) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r| Show InChI InChI=1S/C24H23N5O/c1-15-22-10-16(6-7-24(22)29-28-15)17-9-20(13-26-11-17)30-14-19(25)8-18-12-27-23-5-3-2-4-21(18)23/h2-7,9-13,19,27H,8,14,25H2,1H3,(H,28,29)/t19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.160	-55.3	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 3740-4 (2006) Article DOI: 10.1016/j.bmcl.2006.04.046 BindingDB Entry DOI: 10.7270/Q2ZP44C9
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143104 (6-(1-Methyl-1H-imidazol-2-ylmethoxy)-3-phenyl-[1,2...) Show SMILES Cn1ccnc1COc1nn2c(nnc2c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C20H16N6O/c1-25-12-11-21-17(25)13-27-20-16-10-6-5-9-15(16)19-23-22-18(26(19)24-20)14-7-3-2-4-8-14/h2-12H,13H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits in L(tk-) cells				J Med Chem 47: 1807-22 (2004) Article DOI: 10.1021/jm031020p BindingDB Entry DOI: 10.7270/Q2959H0R
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50179929 (2'-Fluoro-5'-[8-fluoro-7-(1-hydroxy-1-methyl-ethyl...) Show SMILES CC(C)(O)c1ccn2c(cnc2c1F)-c1ccc(F)c(c1)-c1ccccc1C#N Show InChI InChI=1S/C23H17F2N3O/c1-23(2,29)18-9-10-28-20(13-27-22(28)21(18)25)14-7-8-19(24)17(11-14)16-6-4-3-5-15(16)12-26/h3-11,13,29H,1-2H3	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Displacement of [3H]Ro 15-1788 from human GABA-Aalpha1 receptor plus beta3gamma2 expressed in mouse L(tk-) cells				Bioorg Med Chem Lett 16: 1518-22 (2006) Article DOI: 10.1016/j.bmcl.2005.12.037 BindingDB Entry DOI: 10.7270/Q2HM582K
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143104 (6-(1-Methyl-1H-imidazol-2-ylmethoxy)-3-phenyl-[1,2...) Show SMILES Cn1ccnc1COc1nn2c(nnc2c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C20H16N6O/c1-25-12-11-21-17(25)13-27-20-16-10-6-5-9-15(16)19-23-22-18(26(19)24-20)14-7-3-2-4-8-14/h2-12H,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human GABA-A receptor alpha3-beta3-gamma2 subunits in L(tk-) cells				J Med Chem 47: 1807-22 (2004) Article DOI: 10.1021/jm031020p BindingDB Entry DOI: 10.7270/Q2959H0R
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50099258 (6-Fluoro-3-(4-fluoro-piperidin-3-yl)-2-naphthalen-...) Show SMILES F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)-c1ccc2ccccc2c1 Show InChI InChI=1S/C23H20F2N2/c24-17-7-8-18-21(12-17)27-23(22(18)19-13-26-10-9-20(19)25)16-6-5-14-3-1-2-4-15(14)11-16/h1-8,11-12,19-20,26-27H,9-10,13H2/t19?,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-ketanserin binding to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 44: 1603-14 (2001) BindingDB Entry DOI: 10.7270/Q27M076K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50099268 (2-Cyclohexyl-6-fluoro-3-(4-fluoro-piperidin-3-yl)-...) Show SMILES F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)C1CCCCC1 Show InChI InChI=1S/C19H24F2N2/c20-13-6-7-14-17(10-13)23-19(12-4-2-1-3-5-12)18(14)15-11-22-9-8-16(15)21/h6-7,10,12,15-16,22-23H,1-5,8-9,11H2/t15?,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-ketanserin binding to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 44: 1603-14 (2001) BindingDB Entry DOI: 10.7270/Q27M076K
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50179929 (2'-Fluoro-5'-[8-fluoro-7-(1-hydroxy-1-methyl-ethyl...) Show SMILES CC(C)(O)c1ccn2c(cnc2c1F)-c1ccc(F)c(c1)-c1ccccc1C#N Show InChI InChI=1S/C23H17F2N3O/c1-23(2,29)18-9-10-28-20(13-27-22(28)21(18)25)14-7-8-19(24)17(11-14)16-6-4-3-5-15(16)12-26/h3-11,13,29H,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Displacement of [3H]Ro 15-1788 from human GABA-Aalpha3 receptor plus beta3gamma2 expressed in mouse L(tk-) cells				Bioorg Med Chem Lett 16: 1518-22 (2006) Article DOI: 10.1016/j.bmcl.2005.12.037 BindingDB Entry DOI: 10.7270/Q2HM582K
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143115 (3-Phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3...) Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccccn1 Show InChI InChI=1S/C21H15N5O/c1-2-8-15(9-3-1)19-23-24-20-17-11-4-5-12-18(17)21(25-26(19)20)27-14-16-10-6-7-13-22-16/h1-13H,14H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits in L(tk-) cells				J Med Chem 47: 1807-22 (2004) Article DOI: 10.1021/jm031020p BindingDB Entry DOI: 10.7270/Q2959H0R
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143107 (3-Phenyl-6-(pyridin-4-ylmethoxy)-[1,2,4]triazolo[3...) Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccncc1 Show InChI InChI=1S/C21H15N5O/c1-2-6-16(7-3-1)19-23-24-20-17-8-4-5-9-18(17)21(25-26(19)20)27-14-15-10-12-22-13-11-15/h1-13H,14H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits in L(tk-) cells				J Med Chem 47: 1807-22 (2004) Article DOI: 10.1021/jm031020p BindingDB Entry DOI: 10.7270/Q2959H0R
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50099271 (6-Fluoro-3-(4-fluoro-piperidin-3-yl)-2-naphthalen-...) Show SMILES F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)-c1cccc2ccccc12 Show InChI InChI=1S/C23H20F2N2/c24-15-8-9-18-21(12-15)27-23(22(18)19-13-26-11-10-20(19)25)17-7-3-5-14-4-1-2-6-16(14)17/h1-9,12,19-20,26-27H,10-11,13H2/t19?,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-ketanserin binding to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 44: 1603-14 (2001) BindingDB Entry DOI: 10.7270/Q27M076K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50099276 (6-Fluoro-3-(4-fluoro-piperidin-3-yl)-2-pyridin-3-y...) Show SMILES F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)-c1cccnc1 Show InChI InChI=1S/C18H17F2N3/c19-12-3-4-13-16(8-12)23-18(11-2-1-6-21-9-11)17(13)14-10-22-7-5-15(14)20/h1-4,6,8-9,14-15,22-23H,5,7,10H2/t14?,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-ketanserin binding to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 44: 1603-14 (2001) BindingDB Entry DOI: 10.7270/Q27M076K
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143140 (3-Phenyl-6-(pyrazin-2-ylmethoxy)-[1,2,4]triazolo[3...) Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1cnccn1 Show InChI InChI=1S/C20H14N6O/c1-2-6-14(7-3-1)18-23-24-19-16-8-4-5-9-17(16)20(25-26(18)19)27-13-15-12-21-10-11-22-15/h1-12H,13H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits in L(tk-) cells				J Med Chem 47: 1807-22 (2004) Article DOI: 10.1021/jm031020p BindingDB Entry DOI: 10.7270/Q2959H0R
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143136 (10-Methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]...) Show SMILES Cc1cccc2c(OCc3ccccn3)nn3c(nnc3c12)-c1ccccc1 Show InChI InChI=1S/C22H17N5O/c1-15-8-7-12-18-19(15)21-25-24-20(16-9-3-2-4-10-16)27(21)26-22(18)28-14-17-11-5-6-13-23-17/h2-13H,14H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human GABA-A receptor alpha3-beta3-gamma2 subunits in L(tk-) cells				J Med Chem 47: 1807-22 (2004) Article DOI: 10.1021/jm031020p BindingDB Entry DOI: 10.7270/Q2959H0R
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143096 (3-Phenyl-6-(pyridazin-3-ylmethoxy)-[1,2,4]triazolo...) Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1cccnn1 Show InChI InChI=1S/C20H14N6O/c1-2-7-14(8-3-1)18-23-24-19-16-10-4-5-11-17(16)20(25-26(18)19)27-13-15-9-6-12-21-22-15/h1-12H,13H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human GABA-A receptor alpha3-beta3-gamma2 subunits in L(tk-) cells				J Med Chem 47: 1807-22 (2004) Article DOI: 10.1021/jm031020p BindingDB Entry DOI: 10.7270/Q2959H0R
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143090 (3-Phenyl-6-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahyd...) Show SMILES C(Oc1nn2c(nnc2c2CCCCc12)-c1ccccc1)c1ccccn1 Show InChI InChI=1S/C21H19N5O/c1-2-8-15(9-3-1)19-23-24-20-17-11-4-5-12-18(17)21(25-26(19)20)27-14-16-10-6-7-13-22-16/h1-3,6-10,13H,4-5,11-12,14H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits in L(tk-) cells				J Med Chem 47: 1807-22 (2004) Article DOI: 10.1021/jm031020p BindingDB Entry DOI: 10.7270/Q2959H0R
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50077001 (1-Benzyl-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperi...) Show SMILES Cc1nn(cc1-c1ccccc1)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H25N3/c1-18-22(20-10-6-3-7-11-20)17-25(23-18)21-12-14-24(15-13-21)16-19-8-4-2-5-9-19/h2-11,17,21H,12-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human Dopamine receptor D4 expressed in HEK-293 cells				Bioorg Med Chem Lett 9: 1285-90 (1999) BindingDB Entry DOI: 10.7270/Q2C53K1C
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50067424 ((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...) Show SMILES CCOC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc-21 Show InChI InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits in L(tk-) cells				J Med Chem 47: 1807-22 (2004) Article DOI: 10.1021/jm031020p BindingDB Entry DOI: 10.7270/Q2959H0R
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50099260 (3-(4-Fluoro-piperidin-3-yl)-2-phenyl-1H-indole | C...) Show SMILES F[C@@H]1CCNCC1c1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C19H19FN2/c20-16-10-11-21-12-15(16)18-14-8-4-5-9-17(14)22-19(18)13-6-2-1-3-7-13/h1-9,15-16,21-22H,10-12H2/t15?,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-ketanserin binding to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 44: 1603-14 (2001) BindingDB Entry DOI: 10.7270/Q27M076K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50099265 (7-Fluoro-3-(4-fluoro-piperidin-3-yl)-2-phenyl-1H-i...) Show SMILES F[C@@H]1CCNCC1c1c([nH]c2c(F)cccc12)-c1ccccc1 Show InChI InChI=1S/C19H18F2N2/c20-15-9-10-22-11-14(15)17-13-7-4-8-16(21)19(13)23-18(17)12-5-2-1-3-6-12/h1-8,14-15,22-23H,9-11H2/t14?,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-ketanserin binding to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 44: 1603-14 (2001) BindingDB Entry DOI: 10.7270/Q27M076K
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50179931 (2'-Fluoro-5'-[7-(1-hydroxy-1-methyl-ethyl)-imidazo...) Show SMILES CC(C)(O)c1ccn2c(cnc2n1)-c1ccc(F)c(c1)-c1ccccc1C#N Show InChI InChI=1S/C22H17FN4O/c1-22(2,28)20-9-10-27-19(13-25-21(27)26-20)14-7-8-18(23)17(11-14)16-6-4-3-5-15(16)12-24/h3-11,13,28H,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Displacement of [3H]Ro 15-1788 from human GABA-Aalpha3 receptor plus beta3gamma2 expressed in mouse L(tk-) cells				Bioorg Med Chem Lett 16: 1518-22 (2006) Article DOI: 10.1016/j.bmcl.2005.12.037 BindingDB Entry DOI: 10.7270/Q2HM582K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50095049 (3-(1-Phenethyl-piperidin-4-yl)-2-phenyl-1H-indole ...) Show SMILES C(Cc1ccccc1)N1CCC(CC1)c1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C27H28N2/c1-3-9-21(10-4-1)15-18-29-19-16-22(17-20-29)26-24-13-7-8-14-25(24)28-27(26)23-11-5-2-6-12-23/h1-14,22,28H,15-20H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-ketanserin binding to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 44: 1603-14 (2001) BindingDB Entry DOI: 10.7270/Q27M076K
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143088 (3-Phenyl-6-(pyrimidin-4-ylmethoxy)-[1,2,4]triazolo...) Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccncn1 Show InChI InChI=1S/C20H14N6O/c1-2-6-14(7-3-1)18-23-24-19-16-8-4-5-9-17(16)20(25-26(18)19)27-12-15-10-11-21-13-22-15/h1-11,13H,12H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits in L(tk-) cells				J Med Chem 47: 1807-22 (2004) Article DOI: 10.1021/jm031020p BindingDB Entry DOI: 10.7270/Q2959H0R
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143104 (6-(1-Methyl-1H-imidazol-2-ylmethoxy)-3-phenyl-[1,2...) Show SMILES Cn1ccnc1COc1nn2c(nnc2c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C20H16N6O/c1-25-12-11-21-17(25)13-27-20-16-10-6-5-9-15(16)19-23-22-18(26(19)24-20)14-7-3-2-4-8-14/h2-12H,13H2,1H3	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human GABA-A receptor alpha4-beta3-gamma2 subunits in L(tk-) cells				J Med Chem 47: 1807-22 (2004) Article DOI: 10.1021/jm031020p BindingDB Entry DOI: 10.7270/Q2959H0R
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50099282 (6-Fluoro-3-(4-fluoro-piperidin-3-yl)-2-furan-3-yl-...) Show SMILES F[C@@H]1CCNCC1c1c([nH]c2cc(F)ccc12)-c1ccoc1 Show InChI InChI=1S/C17H16F2N2O/c18-11-1-2-12-15(7-11)21-17(10-4-6-22-9-10)16(12)13-8-20-5-3-14(13)19/h1-2,4,6-7,9,13-14,20-21H,3,5,8H2/t13?,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-ketanserin binding to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 44: 1603-14 (2001) BindingDB Entry DOI: 10.7270/Q27M076K
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143108 (8-Methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]t...) Show SMILES Cc1ccc2c3nnc(-c4ccccc4)n3nc(OCc3ccccn3)c2c1 Show InChI InChI=1S/C22H17N5O/c1-15-10-11-18-19(13-15)22(28-14-17-9-5-6-12-23-17)26-27-20(24-25-21(18)27)16-7-3-2-4-8-16/h2-13H,14H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits in L(tk-) cells				J Med Chem 47: 1807-22 (2004) Article DOI: 10.1021/jm031020p BindingDB Entry DOI: 10.7270/Q2959H0R
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50267573 (4-[Hydroxy(diphenyl)methyl]-1-[3-(phenyloxy)propyl...) Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2 Show InChI InChI=1S/C29H34NO2/c31-29(25-11-4-1-5-12-25,26-13-6-2-7-14-26)28-17-21-30(22-18-28,23-19-28)20-10-24-32-27-15-8-3-9-16-27/h1-9,11-16,31H,10,17-24H2/q+1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl scopalamine from human cloned muscarinic M1 receptor expressed in CHO cells coexpressing Gqi5 by scintillation proximity...				J Med Chem 52: 2493-505 (2009) Article DOI: 10.1021/jm801601v BindingDB Entry DOI: 10.7270/Q2H131X8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50099270 (7-Chloro-3-(4-fluoro-piperidin-3-yl)-2-phenyl-1H-i...) Show SMILES F[C@@H]1CCNCC1c1c([nH]c2c(Cl)cccc12)-c1ccccc1 Show InChI InChI=1S/C19H18ClFN2/c20-15-8-4-7-13-17(14-11-22-10-9-16(14)21)18(23-19(13)15)12-5-2-1-3-6-12/h1-8,14,16,22-23H,9-11H2/t14?,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-ketanserin binding to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 44: 1603-14 (2001) BindingDB Entry DOI: 10.7270/Q27M076K
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143104 (6-(1-Methyl-1H-imidazol-2-ylmethoxy)-3-phenyl-[1,2...) Show SMILES Cn1ccnc1COc1nn2c(nnc2c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C20H16N6O/c1-25-12-11-21-17(25)13-27-20-16-10-6-5-9-15(16)19-23-22-18(26(19)24-20)14-7-3-2-4-8-14/h2-12H,13H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human GABA-A receptor alpha2-beta3-gamma2 subunits in L(tk-) cells				J Med Chem 47: 1807-22 (2004) Article DOI: 10.1021/jm031020p BindingDB Entry DOI: 10.7270/Q2959H0R
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50179931 (2'-Fluoro-5'-[7-(1-hydroxy-1-methyl-ethyl)-imidazo...) Show SMILES CC(C)(O)c1ccn2c(cnc2n1)-c1ccc(F)c(c1)-c1ccccc1C#N Show InChI InChI=1S/C22H17FN4O/c1-22(2,28)20-9-10-27-19(13-25-21(27)26-20)14-7-8-18(23)17(11-14)16-6-4-3-5-15(16)12-24/h3-11,13,28H,1-2H3	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Displacement of [3H]Ro 15-1788 from human GABA-Aalpha1 receptor plus beta3gamma2 expressed in mouse L(tk-) cells				Bioorg Med Chem Lett 16: 1518-22 (2006) Article DOI: 10.1016/j.bmcl.2005.12.037 BindingDB Entry DOI: 10.7270/Q2HM582K
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143115 (3-Phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3...) Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccccn1 Show InChI InChI=1S/C21H15N5O/c1-2-8-15(9-3-1)19-23-24-20-17-11-4-5-12-18(17)21(25-26(19)20)27-14-16-10-6-7-13-22-16/h1-13H,14H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human GABA-A receptor alpha3-beta3-gamma2 subunits in L(tk-) cells				J Med Chem 47: 1807-22 (2004) Article DOI: 10.1021/jm031020p BindingDB Entry DOI: 10.7270/Q2959H0R
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143140 (3-Phenyl-6-(pyrazin-2-ylmethoxy)-[1,2,4]triazolo[3...) Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1cnccn1 Show InChI InChI=1S/C20H14N6O/c1-2-6-14(7-3-1)18-23-24-19-16-8-4-5-9-17(16)20(25-26(18)19)27-13-15-12-21-10-11-22-15/h1-12H,13H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human GABA-A receptor alpha3-beta3-gamma2 subunits in L(tk-) cells				J Med Chem 47: 1807-22 (2004) Article DOI: 10.1021/jm031020p BindingDB Entry DOI: 10.7270/Q2959H0R
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143107 (3-Phenyl-6-(pyridin-4-ylmethoxy)-[1,2,4]triazolo[3...) Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccncc1 Show InChI InChI=1S/C21H15N5O/c1-2-6-16(7-3-1)19-23-24-20-17-8-4-5-9-18(17)21(25-26(19)20)27-14-15-10-12-22-13-11-15/h1-13H,14H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human GABA-A receptor alpha3-beta3-gamma2 subunits in L(tk-) cells				J Med Chem 47: 1807-22 (2004) Article DOI: 10.1021/jm031020p BindingDB Entry DOI: 10.7270/Q2959H0R
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143111 (3-Cyclopropyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triaz...) Show SMILES C(Oc1nn2c(nnc2c2ccccc12)C1CC1)c1ccccn1 Show InChI InChI=1S/C18H15N5O/c1-2-7-15-14(6-1)17-21-20-16(12-8-9-12)23(17)22-18(15)24-11-13-5-3-4-10-19-13/h1-7,10,12H,8-9,11H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits in L(tk-) cells				J Med Chem 47: 1807-22 (2004) Article DOI: 10.1021/jm031020p BindingDB Entry DOI: 10.7270/Q2959H0R
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50300018 (2-(4-(Oxazol-5-yl)phenyl)-1H-benzo[d]imidazole-4-c...) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1cnco1 Show InChI InChI=1S/C17H12N4O2/c18-16(22)12-2-1-3-13-15(12)21-17(20-13)11-6-4-10(5-7-11)14-8-19-9-23-14/h1-9H,(H2,18,22)(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation counting				J Med Chem 52: 6803-13 (2009) Article DOI: 10.1021/jm900697r BindingDB Entry DOI: 10.7270/Q2DN4548
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143096 (3-Phenyl-6-(pyridazin-3-ylmethoxy)-[1,2,4]triazolo...) Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1cccnn1 Show InChI InChI=1S/C20H14N6O/c1-2-7-14(8-3-1)18-23-24-19-16-10-4-5-11-17(16)20(25-26(18)19)27-13-15-9-6-12-21-22-15/h1-12H,13H2	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human GABA-A receptor alpha4-beta3-gamma2 subunits in L(tk-) cells				J Med Chem 47: 1807-22 (2004) Article DOI: 10.1021/jm031020p BindingDB Entry DOI: 10.7270/Q2959H0R
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143136 (10-Methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]...) Show SMILES Cc1cccc2c(OCc3ccccn3)nn3c(nnc3c12)-c1ccccc1 Show InChI InChI=1S/C22H17N5O/c1-15-8-7-12-18-19(15)21-25-24-20(16-9-3-2-4-10-16)27(21)26-22(18)28-14-17-11-5-6-13-23-17/h2-13H,14H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits in L(tk-) cells				J Med Chem 47: 1807-22 (2004) Article DOI: 10.1021/jm031020p BindingDB Entry DOI: 10.7270/Q2959H0R
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143090 (3-Phenyl-6-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahyd...) Show SMILES C(Oc1nn2c(nnc2c2CCCCc12)-c1ccccc1)c1ccccn1 Show InChI InChI=1S/C21H19N5O/c1-2-8-15(9-3-1)19-23-24-20-17-11-4-5-12-18(17)21(25-26(19)20)27-14-16-10-6-7-13-22-16/h1-3,6-10,13H,4-5,11-12,14H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human GABA-A receptor alpha3-beta3-gamma2 subunits in L(tk-) cells				J Med Chem 47: 1807-22 (2004) Article DOI: 10.1021/jm031020p BindingDB Entry DOI: 10.7270/Q2959H0R
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143094 (6-(3-Methyl-pyridin-2-ylmethoxy)-3-phenyl-[1,2,4]t...) Show SMILES Cc1cccnc1COc1nn2c(nnc2c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C22H17N5O/c1-15-8-7-13-23-19(15)14-28-22-18-12-6-5-11-17(18)21-25-24-20(27(21)26-22)16-9-3-2-4-10-16/h2-13H,14H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits in L(tk-) cells				J Med Chem 47: 1807-22 (2004) Article DOI: 10.1021/jm031020p BindingDB Entry DOI: 10.7270/Q2959H0R
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM82247 (8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...) Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r| 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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D1				J Med Chem 34: 2946-53 (1991) BindingDB Entry DOI: 10.7270/Q2H132MN
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143121 (3-Cyclopropyl-6-(6-methyl-pyridin-2-ylmethoxy)-[1,...) Show SMILES Cc1cccc(COc2nn3c(nnc3c3ccccc23)C2CC2)n1 Show InChI InChI=1S/C19H17N5O/c1-12-5-4-6-14(20-12)11-25-19-16-8-3-2-7-15(16)18-22-21-17(13-9-10-13)24(18)23-19/h2-8,13H,9-11H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits in L(tk-) cells				J Med Chem 47: 1807-22 (2004) Article DOI: 10.1021/jm031020p BindingDB Entry DOI: 10.7270/Q2959H0R
					More data for this Ligand-Target Pair

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