Compile Data Set for Download or QSAR

Found 327 hits with Last Name = 'seabrook' and Initial = 'gr'   

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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM82569 (CAS_18426-20-5 | NSC_131212 | R(-)NPA) Show SMILES CCCN1CCc2cc(F)cc-3c2C1Cc1ccc(O)c(O)c-31 Show InChI InChI=1S/C19H20FNO2/c1-2-6-21-7-5-12-8-13(20)10-14-17(12)15(21)9-11-3-4-16(22)19(23)18(11)14/h3-4,8,10,15,22-23H,2,5-7,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Neuroscience Research Centre Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 417-26 (1994) BindingDB Entry DOI: 10.7270/Q2C827SR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50020217 ((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...) Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 417-26 (1994) BindingDB Entry DOI: 10.7270/Q2C827SR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM82569 (CAS_18426-20-5 | NSC_131212 | R(-)NPA) Show SMILES CCCN1CCc2cc(F)cc-3c2C1Cc1ccc(O)c(O)c-31 Show InChI InChI=1S/C19H20FNO2/c1-2-6-21-7-5-12-8-13(20)10-14-17(12)15(21)9-11-3-4-16(22)19(23)18(11)14/h3-4,8,10,15,22-23H,2,5-7,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 417-26 (1994) BindingDB Entry DOI: 10.7270/Q2C827SR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50010289 ((R)6-(Phenethyl-propyl-amino)-5,6,7,8-tetrahydro-n...) Show SMILES CCCN(CCc1ccccc1)C1CCc2c(O)cccc2C1 Show InChI InChI=1S/C21H27NO/c1-2-14-22(15-13-17-7-4-3-5-8-17)19-11-12-20-18(16-19)9-6-10-21(20)23/h3-10,19,23H,2,11-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 417-26 (1994) BindingDB Entry DOI: 10.7270/Q2C827SR
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143105 (6-(6-Methyl-pyridin-2-ylmethoxy)-3-phenyl-[1,2,4]t...) Show SMILES Cc1cccc(COc2nn3c(nnc3c3ccccc23)-c2ccccc2)n1 Show InChI InChI=1S/C22H17N5O/c1-15-8-7-11-17(23-15)14-28-22-19-13-6-5-12-18(19)21-25-24-20(27(21)26-22)16-9-3-2-4-10-16/h2-13H,14H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 towards human gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50334150 (1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)...) Show SMILES Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1 Show InChI InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 417-26 (1994) BindingDB Entry DOI: 10.7270/Q2C827SR
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM86054 (5'-IODORESINIFERATOXIN | I-RTX) Show SMILES COc1cc(CC(=O)OCC2=CC[C@H]3[C@@H](C=C(C)C3=O)[C@]34O[C@]5(Cc6ccccc6)O[C@H]([C@H]23)[C@](C[C@H]4C)(O5)C(C)=C)cc(I)c1O |t:10,15,THB:37:22:32:35.34.33,23:22:32:35.34.33| Show InChI InChI=1S/C37H39IO8/c1-20(2)35-17-22(4)37-27-13-21(3)32(40)26(27)12-11-25(19-43-30(39)16-24-14-28(38)33(41)29(15-24)42-5)31(37)34(35)44-36(45-35,46-37)18-23-9-7-6-8-10-23/h6-11,13-15,22,26-27,31,34,41H,1,12,16-19H2,2-5H3/t22-,26+,27-,31+,34-,35-,36-,37+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by PDSP Ki Database									J Pharmacol Exp Ther 303: 1052-60 (2002) Article DOI: 10.1124/jpet.102.040394 BindingDB Entry DOI: 10.7270/Q279437S
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50149423 (5,6-dimethyl-2-pyridyl[6-(3-methyl-1,2,4-oxadiazol...) Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccc(C)c(C)n3)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.92,1.94,;-2.92,.4,;-1.59,-.37,;-1.3,.72,;-2.09,1.52,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;2.46,-8.83,;3.79,-6.51,;5.12,-7.26,;3.78,-4.98,;2.43,.41,;2.43,1.96,)| Show InChI InChI=1S/C22H23N7O2/c1-11-4-9-16(23-12(11)2)10-30-21-18-15-7-5-14(6-8-15)17(18)19-25-26-20(29(19)27-21)22-24-13(3)28-31-22/h4,9,14-15H,5-8,10H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article 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 Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50334150 (1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)...) Show SMILES Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1 Show InChI InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 417-26 (1994) BindingDB Entry DOI: 10.7270/Q2C827SR
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50149428 (2-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,7,8-tetra...) Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccc3C#N)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.92,1.94,;-2.92,.4,;-1.59,-.37,;-1.3,.72,;-2.09,1.52,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;3.79,-6.51,;3.78,-4.98,;5.09,-4.18,;6.42,-3.41,;2.43,.41,;2.43,1.96,)| Show InChI InChI=1S/C22H19N7O2/c1-12-24-22(31-28-12)20-26-25-19-17-13-6-8-14(9-7-13)18(17)21(27-29(19)20)30-11-16-5-3-2-4-15(16)10-23/h2-5,13-14H,6-9,11H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.440	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 towards human alpha5-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50008735 ((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...) Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34 Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 417-26 (1994) BindingDB Entry DOI: 10.7270/Q2C827SR
					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	0.450	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 towards human alpha5-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50110705 (3-(2-Hydroxy-ethylsulfanyl)-6,6-dimethyl-1-pyridin...) Show SMILES CC1(C)Cc2c(sc(SCCO)c2C(=O)C1)-c1ccccn1 Show InChI InChI=1S/C17H19NO2S2/c1-17(2)9-11-14(13(20)10-17)16(21-8-7-19)22-15(11)12-5-3-4-6-18-12/h3-6,19H,7-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha5-beta3-gamma2 subunits				J Med Chem 45: 1176-9 (2002) BindingDB Entry DOI: 10.7270/Q26Q1WKG
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50241107 (1-(3-(4-(5-chloro-2-oxo-2,3-dihydrobenzo[d]imidazo...) Show SMILES Clc1ccc2n(C3CCN(CCCn4c5ccccc5[nH]c4=O)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 417-26 (1994) BindingDB Entry DOI: 10.7270/Q2C827SR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM81993 (BROMOCRIPTINE | Bromocriptine+ (GTP+) | Bromocript...) Show SMILES CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C |r,c:28| Show InChI InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank PDB PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 417-26 (1994) BindingDB Entry DOI: 10.7270/Q2C827SR
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(3) dopamine receptor (Homo sapiens (Human))	BDBM85091 ((+/-)-2-DIPROPYLAMINO- 6,7-DIHYDROXY-1,2,3,4-TETRA...) Show SMILES CCCN(CCC)C1CCc2cc(O)c(O)cc2C1 Show InChI InChI=1S/C16H25NO2/c1-3-7-17(8-4-2)14-6-5-12-10-15(18)16(19)11-13(12)9-14/h10-11,14,18-19H,3-9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 417-26 (1994) BindingDB Entry DOI: 10.7270/Q2C827SR
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50149416 (3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...) Show SMILES Cc1cc(no1)-c1nnc2c3CCCCc3c(OCc3ccccn3)nn12 Show InChI InChI=1S/C19H18N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h4-6,9-10H,2-3,7-8,11H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.75	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 Inhibition of [3H]-Ro-15-1788 binding to human alpha5-beta3-gamma2 GABA-A receptor expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50149414 (3-methyl-5-[9-(2-pyridylmethoxy)-4,5,7,8-tetraazat...) Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccn3)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.09,1.52,;-1.3,.72,;-1.59,-.37,;-2.92,.4,;-2.92,1.94,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;3.79,-6.51,;3.78,-4.98,;2.43,.41,;2.43,1.96,)| Show InChI InChI=1S/C20H19N7O2/c1-11-22-20(29-26-11)18-24-23-17-15-12-5-7-13(8-6-12)16(15)19(25-27(17)18)28-10-14-4-2-3-9-21-14/h2-4,9,12-13H,5-8,10H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.770	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 towards human alpha5-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50144860 (3-(5-Methyl-isoxazol-3-yl)-6-(6-methyl-pyridin-2-y...) Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cccc(C)n3)nn12 Show InChI InChI=1S/C20H16N6O2/c1-12-6-5-7-14(21-12)11-27-20-16-9-4-3-8-15(16)18-22-23-19(26(18)24-20)17-10-13(2)28-25-17/h3-10H,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.790	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 towards human alpha5-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50144861 (3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...) Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12 Show InChI InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	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 towards human alpha5-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50144860 (3-(5-Methyl-isoxazol-3-yl)-6-(6-methyl-pyridin-2-y...) Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cccc(C)n3)nn12 Show InChI InChI=1S/C20H16N6O2/c1-12-6-5-7-14(21-12)11-27-20-16-9-4-3-8-15(16)18-22-23-19(26(18)24-20)17-10-13(2)28-25-17/h3-10H,11H2,1-2H3	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 towards human alpha1-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50149426 (3-isoquinolyl[6-(3-methyl-1,2,4-oxadiazol-5-yl)-4,...) Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cc4ccccc4cn3)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.42,;1.41,4.26,;1.08,2.74,;-.25,1.95,;-1.59,2.72,;-2.09,1.52,;-1.3,.72,;-1.59,-.37,;-2.92,.4,;-2.92,1.94,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;3.78,-4.98,;3.79,-6.51,;5.12,-7.26,;5.14,-8.8,;3.8,-9.59,;2.46,-8.83,;2.46,-7.29,;1.1,-6.52,;1.1,-4.98,;2.43,.41,;2.43,1.96,)| Show InChI InChI=1S/C24H21N7O2/c1-13-26-24(33-30-13)22-28-27-21-19-14-6-8-15(9-7-14)20(19)23(29-31(21)22)32-12-18-10-16-4-2-3-5-17(16)11-25-18/h2-5,10-11,14-15H,6-9,12H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.910	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 towards human alpha5-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50149412 (3-methyl-5-[9-(3-pyridylmethoxy)-4,5,7,8-tetraazat...) Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccnc3)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.09,1.52,;-1.3,.72,;-1.59,-.37,;-2.92,.4,;-2.92,1.94,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;3.79,-6.51,;3.78,-4.98,;2.43,.41,;2.43,1.96,)| Show InChI InChI=1S/C20H19N7O2/c1-11-22-20(29-26-11)18-24-23-17-15-13-4-6-14(7-5-13)16(15)19(25-27(17)18)28-10-12-3-2-8-21-9-12/h2-3,8-9,13-14H,4-7,10H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.930	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 towards human alpha5-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143105 (6-(6-Methyl-pyridin-2-ylmethoxy)-3-phenyl-[1,2,4]t...) Show SMILES Cc1cccc(COc2nn3c(nnc3c3ccccc23)-c2ccccc2)n1 Show InChI InChI=1S/C22H17N5O/c1-15-8-7-11-17(23-15)14-28-22-19-13-6-5-12-18(19)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 Patents Similars	Article PubMed	1	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 towards human gamma-aminobutyric-acid A receptor alpha2-beta3-gamma2 using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50149420 (2-bromobenzyl 6-(3-methyl-1,2,4-oxadiazol-5-yl)-4,...) Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccc3Br)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.92,1.94,;-2.92,.4,;-1.59,-.37,;-1.3,.72,;-2.09,1.52,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;3.79,-6.51,;3.78,-4.98,;5.11,-4.2,;2.43,.41,;2.43,1.96,)| Show InChI InChI=1S/C21H19BrN6O2/c1-11-23-21(30-27-11)19-25-24-18-16-12-6-8-13(9-7-12)17(16)20(26-28(18)19)29-10-14-4-2-3-5-15(14)22/h2-5,12-13H,6-10H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	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 towards human alpha5-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50026957 ((cis) 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-yli...) Show SMILES OCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 417-26 (1994) BindingDB Entry DOI: 10.7270/Q2C827SR
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50144860 (3-(5-Methyl-isoxazol-3-yl)-6-(6-methyl-pyridin-2-y...) Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cccc(C)n3)nn12 Show InChI InChI=1S/C20H16N6O2/c1-12-6-5-7-14(21-12)11-27-20-16-9-4-3-8-15(16)18-22-23-19(26(18)24-20)17-10-13(2)28-25-17/h3-10H,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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 towards human gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143105 (6-(6-Methyl-pyridin-2-ylmethoxy)-3-phenyl-[1,2,4]t...) Show SMILES Cc1cccc(COc2nn3c(nnc3c3ccccc23)-c2ccccc2)n1 Show InChI InChI=1S/C22H17N5O/c1-15-8-7-11-17(23-15)14-28-22-19-13-6-5-12-18(19)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 Patents Similars	Article PubMed	1.30	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 towards human alpha5-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50144861 (3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...) Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12 Show InChI InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	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 towards human alpha1-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50110708 (6,6-Dimethyl-1-(1H-pyrazol-3-yl)-3-(thiazol-2-yldi...) Show SMILES CC1(C)Cc2c(sc(SSc3nccs3)c2C(=O)C1)-c1ccn[nH]1 Show InChI InChI=1S/C16H15N3OS4/c1-16(2)7-9-12(11(20)8-16)14(23-24-15-17-5-6-21-15)22-13(9)10-3-4-18-19-10/h3-6H,7-8H2,1-2H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha5-beta3-gamma2 subunits				J Med Chem 45: 1176-9 (2002) BindingDB Entry DOI: 10.7270/Q26Q1WKG
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50144861 (3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...) Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12 Show InChI InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	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 towards human gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50144865 (3-methyl-5-[9-(6-methyl-2-pyridylmethoxy)-4,5,7,8-...) Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12 |(6.84,-9.64,;5.81,-8.5,;6.12,-6.98,;4.79,-6.23,;3.65,-7.26,;4.28,-8.66,;2.13,-6.94,;1.5,-5.54,;-.02,-5.7,;-.34,-7.22,;-1.67,-7.99,;-3,-7.22,;-3.78,-8.55,;-2.24,-8.96,;-3,-10.3,;-4.33,-9.53,;-4.33,-7.99,;-1.67,-9.53,;-.34,-10.3,;-.34,-11.84,;.99,-12.61,;.99,-14.15,;-.34,-14.91,;-.34,-16.45,;.99,-17.22,;2.32,-16.43,;3.66,-17.2,;2.32,-14.91,;.99,-9.53,;.99,-7.99,)| Show InChI InChI=1S/C21H21N7O2/c1-11-4-3-5-15(22-11)10-29-20-17-14-8-6-13(7-9-14)16(17)18-24-25-19(28(18)26-20)21-23-12(2)27-30-21/h3-5,13-14H,6-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	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 towards human alpha5-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 417-26 (1994) BindingDB Entry DOI: 10.7270/Q2C827SR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM82567 (ADTN DIMETHYL 6,7) Show SMILES Cc1ccc2CCC(N)Cc2c1C Show InChI InChI=1S/C12H17N/c1-8-3-4-10-5-6-11(13)7-12(10)9(8)2/h3-4,11H,5-7,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 417-26 (1994) BindingDB Entry DOI: 10.7270/Q2C827SR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50026957 ((cis) 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-yli...) Show SMILES OCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 417-26 (1994) BindingDB Entry DOI: 10.7270/Q2C827SR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50020222 ((+/-)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthal...) Show SMILES CCCN(CCC)C1CCc2ccc(O)cc2C1 Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 417-26 (1994) BindingDB Entry DOI: 10.7270/Q2C827SR
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50144860 (3-(5-Methyl-isoxazol-3-yl)-6-(6-methyl-pyridin-2-y...) Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cccc(C)n3)nn12 Show InChI InChI=1S/C20H16N6O2/c1-12-6-5-7-14(21-12)11-27-20-16-9-4-3-8-15(16)18-22-23-19(26(18)24-20)17-10-13(2)28-25-17/h3-10H,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	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 towards human gamma-aminobutyric-acid A receptor alpha2-beta3-gamma2 using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50149416 (3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...) Show SMILES Cc1cc(no1)-c1nnc2c3CCCCc3c(OCc3ccccn3)nn12 Show InChI InChI=1S/C19H18N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h4-6,9-10H,2-3,7-8,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	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 towards human gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50110704 (3-(2-Hydroxy-ethylsulfanyl)-6,6-dimethyl-1-thiazol...) Show SMILES CC1(C)Cc2c(sc(SCCO)c2C(=O)C1)-c1nccs1 Show InChI InChI=1S/C15H17NO2S3/c1-15(2)7-9-11(10(18)8-15)14(20-6-4-17)21-12(9)13-16-3-5-19-13/h3,5,17H,4,6-8H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha5-beta3-gamma2 subunits				J Med Chem 45: 1176-9 (2002) BindingDB Entry DOI: 10.7270/Q26Q1WKG
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50110713 (3-Ethylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-yl)-6...) Show SMILES CCSc1sc(-c2cc[nH]n2)c2CC(C)(C)CC(=O)c12 Show InChI InChI=1S/C15H18N2OS2/c1-4-19-14-12-9(7-15(2,3)8-11(12)18)13(20-14)10-5-6-16-17-10/h5-6H,4,7-8H2,1-3H3,(H,16,17)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha5-beta3-gamma2 subunits				J Med Chem 45: 1176-9 (2002) BindingDB Entry DOI: 10.7270/Q26Q1WKG
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50110706 (6,6-Dimethyl-3-methylsulfanyl-1-pyridin-2-yl-6,7-d...) Show SMILES CSc1sc(c2CC(C)(C)CC(=O)c12)-c1ccccn1 Show InChI InChI=1S/C16H17NOS2/c1-16(2)8-10-13(12(18)9-16)15(19-3)20-14(10)11-6-4-5-7-17-11/h4-7H,8-9H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha5-beta3-gamma2 subunits				J Med Chem 45: 1176-9 (2002) BindingDB Entry DOI: 10.7270/Q26Q1WKG
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM82566 (ADTN 6,7) Show SMILES NC1CCc2ccc(OC(=O)c3ccccc3)c(OC(=O)c3ccccc3)c2C1 Show InChI InChI=1S/C24H21NO4/c25-19-13-11-16-12-14-21(28-23(26)17-7-3-1-4-8-17)22(20(16)15-19)29-24(27)18-9-5-2-6-10-18/h1-10,12,14,19H,11,13,15,25H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 417-26 (1994) BindingDB Entry DOI: 10.7270/Q2C827SR
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50149428 (2-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,7,8-tetra...) Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccc3C#N)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.92,1.94,;-2.92,.4,;-1.59,-.37,;-1.3,.72,;-2.09,1.52,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;3.79,-6.51,;3.78,-4.98,;5.09,-4.18,;6.42,-3.41,;2.43,.41,;2.43,1.96,)| Show InChI InChI=1S/C22H19N7O2/c1-12-24-22(31-28-12)20-26-25-19-17-13-6-8-14(9-7-13)18(17)21(27-29(19)20)30-11-16-5-3-2-4-15(16)10-23/h2-5,13-14H,6-9,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	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 towards human gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50149418 (6-methyl-2-pyridyl[6-(2-pyrazinyl)-4,5,7,8-tetraaz...) Show SMILES Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2cnccn2)n1 |(2.03,-7.1,;.68,-6.35,;-.65,-7.12,;-1.98,-6.35,;-1.98,-4.81,;-.65,-4.04,;-.65,-2.5,;-2,-1.73,;-2,-.21,;-.65,.58,;-.67,2.12,;.49,3.17,;-.16,4.59,;-1.7,4.43,;-2.02,2.91,;-3.35,2.12,;-4.68,2.89,;-5.2,1.68,;-4.39,.88,;-4.68,-.21,;-6.01,.56,;-6.01,2.1,;-3.34,.55,;1.98,2.85,;2.45,1.39,;3.94,1.07,;4.97,2.22,;4.49,3.68,;2.99,3.98,;.68,-4.81,)| Show InChI InChI=1S/C22H21N7O/c1-13-3-2-4-16(25-13)12-30-22-19-15-7-5-14(6-8-15)18(19)21-27-26-20(29(21)28-22)17-11-23-9-10-24-17/h2-4,9-11,14-15H,5-8,12H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.80	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 towards human alpha5-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143105 (6-(6-Methyl-pyridin-2-ylmethoxy)-3-phenyl-[1,2,4]t...) Show SMILES Cc1cccc(COc2nn3c(nnc3c3ccccc23)-c2ccccc2)n1 Show InChI InChI=1S/C22H17N5O/c1-15-8-7-11-17(23-15)14-28-22-19-13-6-5-12-18(19)21-25-24-20(27(21)26-22)16-9-3-2-4-10-16/h2-13H,14H2,1H3	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	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 towards human alpha1-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50110711 (3-Isopropylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-y...) Show SMILES CC(C)Sc1sc(-c2cc[nH]n2)c2CC(C)(C)CC(=O)c12 Show InChI InChI=1S/C16H20N2OS2/c1-9(2)20-15-13-10(7-16(3,4)8-12(13)19)14(21-15)11-5-6-17-18-11/h5-6,9H,7-8H2,1-4H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha5-beta3-gamma2 subunits				J Med Chem 45: 1176-9 (2002) BindingDB Entry DOI: 10.7270/Q26Q1WKG
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50149417 (5-[9-(6-methyl-2-pyridylmethoxy)-4,5,7,8-tetraazat...) Show SMILES Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2nc(no2)-c2ccncc2)n1 |(2.03,-7.1,;.68,-6.35,;-.65,-7.12,;-1.98,-6.35,;-1.98,-4.81,;-.65,-4.04,;-.65,-2.5,;-2,-1.73,;-2,-.21,;-.65,.58,;-.67,2.12,;.49,3.17,;-.16,4.59,;-1.7,4.43,;-2.02,2.91,;-3.35,2.12,;-4.68,2.89,;-5.2,1.68,;-4.39,.88,;-4.68,-.21,;-6.01,.56,;-6.01,2.1,;-3.34,.55,;1.98,2.85,;3.13,3.89,;4.46,3.1,;4.14,1.6,;2.61,1.44,;5.86,3.73,;7.12,2.82,;8.52,3.45,;8.68,4.99,;7.43,5.9,;6.03,5.27,;.68,-4.81,)| Show InChI InChI=1S/C25H22N8O2/c1-14-3-2-4-18(27-14)13-34-24-20-16-7-5-15(6-8-16)19(20)22-29-30-23(33(22)31-24)25-28-21(32-35-25)17-9-11-26-12-10-17/h2-4,9-12,15-16H,5-8,13H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.10	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 towards human alpha5-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50008735 ((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...) Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34 Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 417-26 (1994) BindingDB Entry DOI: 10.7270/Q2C827SR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM81993 (BROMOCRIPTINE | Bromocriptine+ (GTP+) | Bromocript...) Show SMILES CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C |r,c:28| Show InChI InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 417-26 (1994) BindingDB Entry DOI: 10.7270/Q2C827SR
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50065229 (4-Ethyl-6,7-dimethoxy-9H-beta-carboline-3-carboxyl...) Show SMILES CCc1c([nH]cc2nc3cc(OC)c(OC)cc3c12)C(=O)OC Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,18H,5H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha5-beta3-gamma2 subunits				J Med Chem 45: 1176-9 (2002) BindingDB Entry DOI: 10.7270/Q26Q1WKG
					More data for this Ligand-Target Pair

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