Compile Data Set for Download or QSAR

Found 1982 hits with Last Name = 'moore' and Initial = 'k'   

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
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117772 (CHEMBL10921 | N-(2-Diethylamino-ethyl)-2-[2-(4-flu...) Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C38H40F4N6O2S/c1-4-46(5-2)18-19-47(23-27-6-10-30(11-7-27)31-12-14-33(15-13-31)38(40,41)42)35(49)25-48-24-32(20-29-21-43-45(3)22-29)36(50)44-37(48)51-26-28-8-16-34(39)17-9-28/h6-17,21-22,24H,4-5,18-20,23,25-26H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Steady state and transient kinetics to a freely reversible, non-covalently bound, human recombinant Phospholipase A2 (rhLp-PLA2) was determined				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185513 (7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3...) Show SMILES Cn1ncnc1COc1nn2c(nncc2c1-c1ccsc1)-c1ccccc1F Show InChI InChI=1S/C19H14FN7OS/c1-26-16(21-11-23-26)9-28-19-17(12-6-7-29-10-12)15-8-22-24-18(27(15)25-19)13-4-2-3-5-14(13)20/h2-8,10-11H,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	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]Ro15-1788 binding to human recombinant GABA-Aalpha3 plus beta3gamma2 receptor expressed in L(tk-) cells				Bioorg Med Chem Lett 16: 3550-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.081 BindingDB Entry DOI: 10.7270/Q21J99CH
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185495 (7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3...) Show SMILES Cn1ncnc1COc1nn2c(nncc2c1-c1cccs1)-c1ccccc1F Show InChI InChI=1S/C19H14FN7OS/c1-26-16(21-11-23-26)10-28-19-17(15-7-4-8-29-15)14-9-22-24-18(27(14)25-19)12-5-2-3-6-13(12)20/h2-9,11H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	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]Ro15-1788 binding to human recombinant GABA-Aalpha3 plus beta3gamma2 receptor expressed in L(tk-) cells				Bioorg Med Chem Lett 16: 3550-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.081 BindingDB Entry DOI: 10.7270/Q21J99CH
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50125265 (CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...) Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human Lp-PLA2				Bioorg Med Chem Lett 13: 1067-70 (2003) BindingDB Entry DOI: 10.7270/Q2S75FPD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185506 (7-(2-fluorophenyl)-3-(furan-2-yl)-2-((2-methyl-2H-...) Show SMILES Cn1ncnc1COc1nn2c(nncc2c1-c1ccco1)-c1ccccc1F Show InChI InChI=1S/C19H14FN7O2/c1-26-16(21-11-23-26)10-29-19-17(15-7-4-8-28-15)14-9-22-24-18(27(14)25-19)12-5-2-3-6-13(12)20/h2-9,11H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.110	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]Ro15-1788 binding to human recombinant GABA-Aalpha3 plus beta3gamma2 receptor expressed in L(tk-) cells				Bioorg Med Chem Lett 16: 3550-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.081 BindingDB Entry DOI: 10.7270/Q21J99CH
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50176773 (7-tert-butyl-6-(2-methyl-2H-1,2,4-trizol-3-ylmetho...) Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1ccccc1 Show InChI InChI=1S/C19H21N7O/c1-19(2,3)14-10-15-22-23-17(13-8-6-5-7-9-13)26(15)24-18(14)27-11-16-20-12-21-25(16)4/h5-10,12H,11H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.140	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]Ro 15-1788 from human recombinant GABAA alpha3beta3gamma2 receptor expressed in L(tk-) cells				J Med Chem 48: 7089-92 (2005) Article DOI: 10.1021/jm058034a BindingDB Entry DOI: 10.7270/Q2WH2PJ2
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185512 (7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3...) Show SMILES Cn1ncnc1COc1nn2c(nncc2c1-c1ccncc1)-c1ccccc1F Show InChI InChI=1S/C20H15FN8O/c1-28-17(23-12-25-28)11-30-20-18(13-6-8-22-9-7-13)16-10-24-26-19(29(16)27-20)14-4-2-3-5-15(14)21/h2-10,12H,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	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]Ro15-1788 binding to human recombinant GABA-Aalpha3 plus beta3gamma2 receptor expressed in L(tk-) cells				Bioorg Med Chem Lett 16: 3550-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.081 BindingDB Entry DOI: 10.7270/Q21J99CH
					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
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50176776 (7-cyclobutyl-6-(2-methyl-2H-1,2,4-trizol-3-ylmetho...) Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C1CCC1)-c1ccccc1 Show InChI InChI=1S/C19H19N7O/c1-25-17(20-12-21-25)11-27-19-15(13-8-5-9-13)10-16-22-23-18(26(16)24-19)14-6-3-2-4-7-14/h2-4,6-7,10,12-13H,5,8-9,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha3beta3gamma2 receptor expressed in L(tk-) cells				J Med Chem 48: 7089-92 (2005) Article DOI: 10.1021/jm058034a BindingDB Entry DOI: 10.7270/Q2WH2PJ2
					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
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281656 (US10022461, Compound 126) Show SMILES Nc1cc2cc(ncc2cc1I)-n1ccc2ccncc12 Show InChI InChI=1S/C16H11IN4/c17-13-5-12-8-20-16(7-11(12)6-14(13)18)21-4-2-10-1-3-19-9-15(10)21/h1-9H,18H2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.180	-55.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148325 (2-(4-Chloro-phenyl)-8-pyridin-4-ylmethyl-2,5,5a,6,...) Show SMILES Clc1ccc(cc1)-n1[nH]c2C3CN(Cc4ccncc4)CCC3N=Cc2c1=O |c:26| Show InChI InChI=1S/C21H20ClN5O/c22-15-1-3-16(4-2-15)27-21(28)17-11-24-19-7-10-26(13-18(19)20(17)25-27)12-14-5-8-23-9-6-14/h1-6,8-9,11,18-19,25H,7,10,12-13H2	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	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 In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148320 (2-(4-Chloro-phenyl)-2,5,6,7,8,9-hexahydro-pyrazolo...) Show SMILES Clc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O Show InChI InChI=1S/C16H14ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h5-9,19H,1-4H2	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.190	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 In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50162192 (6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...) Show SMILES CCCn1ncnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-4.6,-4.94,;-3.14,-5.42,;-2,-4.39,;-.53,-4.86,;-.05,-6.31,;1.49,-6.33,;1.96,-4.81,;.72,-3.95,;.72,-2.41,;-.61,-1.64,;-.61,-.12,;.72,.65,;.72,2.2,;1.89,3.26,;1.22,4.62,;-.28,4.48,;-.61,2.97,;-1.95,2.19,;-3.29,2.87,;-4.6,2.19,;-4.6,.65,;-3.27,-.12,;-4.2,1.42,;-2.64,1.42,;-1.95,.65,;3.39,2.96,;3.86,1.51,;5.39,1.21,;6.38,2.36,;5.89,3.82,;4.39,4.13,)| Show InChI InChI=1S/C23H25N7O/c1-2-12-29-18(24-14-25-29)13-31-23-20-16-10-8-15(9-11-16)19(20)22-27-26-21(30(22)28-23)17-6-4-3-5-7-17/h3-7,14-16H,2,8-13H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.190	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 Inhibition of [3H]-Ro-15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 subtype expressed in L (tk-) cells				J Med Chem 48: 1367-83 (2005) Article DOI: 10.1021/jm040883v BindingDB Entry DOI: 10.7270/Q2ZW1KD2
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50176771 (7-(1,1-dimethyleth-1-yl)-3-(2-fluoro-phenyl)-6-(2-...) Show SMILES CCn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1ccccc1F Show InChI InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha3beta3gamma2 receptor expressed in L(tk-) cells				J Med Chem 48: 7089-92 (2005) Article DOI: 10.1021/jm058034a BindingDB Entry DOI: 10.7270/Q2WH2PJ2
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185508 (3-(2,5-difluorophenyl)-7-(2-fluorophenyl)-2-((2-me...) Show SMILES Cn1ncnc1COc1nn2c(nncc2c1-c1cc(F)ccc1F)-c1ccccc1F |(12.48,-5.03,;10.96,-4.81,;9.89,-5.92,;8.5,-5.24,;8.72,-3.71,;10.25,-3.44,;11.02,-2.11,;10.26,-.78,;11.03,.56,;12.57,.71,;12.89,2.22,;14.24,2.99,;14.23,4.54,;12.89,5.31,;11.56,4.53,;11.56,3,;10.41,1.97,;9.07,2.73,;9.08,4.27,;7.74,5.03,;7.74,6.57,;6.41,4.26,;6.42,2.71,;7.76,1.95,;7.77,.41,;15.57,2.22,;15.57,.68,;16.9,-.09,;18.24,.68,;18.23,2.23,;16.9,2.99,;16.89,4.53,)| Show InChI InChI=1S/C21H14F3N7O/c1-30-18(25-11-27-30)10-32-21-19(14-8-12(22)6-7-16(14)24)17-9-26-28-20(31(17)29-21)13-4-2-3-5-15(13)23/h2-9,11H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia 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 Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]Ro15-1788 binding to human recombinant GABA-Aalpha3 plus beta3gamma2 receptor expressed in L(tk-) cells				Bioorg Med Chem Lett 16: 3550-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.081 BindingDB Entry DOI: 10.7270/Q21J99CH
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50162207 (3,5-dimethyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazate...) Show SMILES Cc1cnc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)c(C)c1 |(.42,-8.41,;.42,-6.87,;1.75,-6.1,;1.74,-4.56,;.42,-3.81,;.42,-2.27,;-.9,-1.5,;-.9,.04,;.4,.79,;.4,2.35,;1.57,3.4,;.94,4.76,;-.58,4.6,;-.9,3.11,;-2.24,2.33,;-3.59,3.03,;-2.94,1.58,;-4.52,1.58,;-3.56,.02,;-4.9,.79,;-4.9,2.33,;-2.24,.79,;3.09,3.1,;3.58,1.65,;5.09,1.35,;6.1,2.51,;5.6,3.96,;4.09,4.26,;-.9,-4.56,;-2.24,-3.81,;-.9,-6.1,)| Show InChI InChI=1S/C25H25N5O/c1-15-12-16(2)20(26-13-15)14-31-25-22-18-10-8-17(9-11-18)21(22)24-28-27-23(30(24)29-25)19-6-4-3-5-7-19/h3-7,12-13,17-18H,8-11,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia 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 & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-Ro-15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 subtype expressed in L (tk-) cells				J Med Chem 48: 1367-83 (2005) Article DOI: 10.1021/jm040883v BindingDB Entry DOI: 10.7270/Q2ZW1KD2
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50162183 (1-benzyl-1H-2-imidazolyl[6-phenyl-4,5,7,8-tetraaza...) Show SMILES C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1nccn1Cc1ccccc1 |(-.27,-2.33,;-1.61,-1.56,;-1.61,-.03,;-.3,.72,;-.3,2.28,;.89,3.33,;.23,4.71,;-1.28,4.55,;-1.61,3.03,;-2.94,2.26,;-4.29,2.96,;-5.6,2.26,;-5.6,.72,;-4.26,-.05,;-5.2,1.49,;-3.63,1.49,;-2.94,.72,;2.39,3.03,;3.39,4.2,;4.9,3.89,;5.4,2.43,;4.39,1.28,;2.87,1.59,;1.05,-1.56,;1.22,-.03,;2.71,.3,;3.5,-1.05,;2.46,-2.2,;2.78,-3.69,;1.64,-4.71,;.19,-4.25,;-.95,-5.3,;-.63,-6.79,;.85,-7.26,;1.97,-6.23,)| Show InChI InChI=1S/C28H26N6O/c1-3-7-19(8-4-1)17-33-16-15-29-23(33)18-35-28-25-21-13-11-20(12-14-21)24(25)27-31-30-26(34(27)32-28)22-9-5-2-6-10-22/h1-10,15-16,20-21H,11-14,17-18H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.210	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 Inhibition of [3H]-Ro-15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 subtype expressed in L (tk-) cells				J Med Chem 48: 1367-83 (2005) Article DOI: 10.1021/jm040883v BindingDB Entry DOI: 10.7270/Q2ZW1KD2
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281558 (US10022461, Compound 9) Show SMILES Fc1ccc2cnc(cc2c1)-n1ccc2ccncc12 Show InChI InChI=1S/C16H10FN3/c17-14-2-1-12-9-19-16(8-13(12)7-14)20-6-4-11-3-5-18-10-15(11)20/h1-10H	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	0.220	-55.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					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
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281645 (US10022461, Compound 115) Show SMILES Nc1cc(F)cc2cnc(cc12)-n1ccc2ccncc12 Show InChI InChI=1S/C16H11FN4/c17-12-5-11-8-20-16(7-13(11)14(18)6-12)21-4-2-10-1-3-19-9-15(10)21/h1-9H,18H2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.224	-55.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50176776 (7-cyclobutyl-6-(2-methyl-2H-1,2,4-trizol-3-ylmetho...) Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C1CCC1)-c1ccccc1 Show InChI InChI=1S/C19H19N7O/c1-25-17(20-12-21-25)11-27-19-15(13-8-5-9-13)10-16-22-23-18(26(16)24-19)14-6-3-2-4-7-14/h2-4,6-7,10,12-13H,5,8-9,11H2,1H3	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.230	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]Ro 15-1788 from human recombinant GABAA alpha1beta3gamma2 receptor expressed in L(tk-) cells				J Med Chem 48: 7089-92 (2005) Article DOI: 10.1021/jm058034a BindingDB Entry DOI: 10.7270/Q2WH2PJ2
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50176776 (7-cyclobutyl-6-(2-methyl-2H-1,2,4-trizol-3-ylmetho...) Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C1CCC1)-c1ccccc1 Show InChI InChI=1S/C19H19N7O/c1-25-17(20-12-21-25)11-27-19-15(13-8-5-9-13)10-16-22-23-18(26(16)24-19)14-6-3-2-4-7-14/h2-4,6-7,10,12-13H,5,8-9,11H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.25	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]Ro 15-1788 from human recombinant GABAA alpha2beta3gamma2 receptor expressed in L(tk-) cells				J Med Chem 48: 7089-92 (2005) Article DOI: 10.1021/jm058034a BindingDB Entry DOI: 10.7270/Q2WH2PJ2
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50162232 (3,5-dimethyl-1H-1-pyrazolyl[6-phenyl-4,5,7,8-tetra...) Show SMILES Cc1cc(C)n(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)n1 |(5.02,-2.5,;3.48,-2.33,;2.71,-1,;1.2,-1.33,;1.2,.21,;1.05,-2.85,;-.3,-3.62,;-1.63,-2.85,;-1.63,-1.33,;-.3,-.56,;-.3,.98,;.87,2.05,;.23,3.41,;-1.3,3.26,;-1.63,1.77,;-2.96,.98,;-4.29,1.66,;-5.62,.98,;-5.62,-.56,;-4.29,-1.33,;-5.22,.21,;-3.66,.21,;-2.96,-.56,;2.39,1.77,;3.38,2.91,;4.88,2.61,;5.39,1.14,;4.37,-.01,;2.87,.3,;2.46,-3.46,)| Show InChI InChI=1S/C23H24N6O/c1-14-12-15(2)28(26-14)13-30-23-20-17-10-8-16(9-11-17)19(20)22-25-24-21(29(22)27-23)18-6-4-3-5-7-18/h3-7,12,16-17H,8-11,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	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 Inhibition of [3H]-Ro-15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 subtype expressed in L (tk-) cells				J Med Chem 48: 1367-83 (2005) Article DOI: 10.1021/jm040883v BindingDB Entry DOI: 10.7270/Q2ZW1KD2
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50176771 (7-(1,1-dimethyleth-1-yl)-3-(2-fluoro-phenyl)-6-(2-...) Show SMILES CCn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1ccccc1F Show InChI InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.270	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]Ro 15-1788 from human recombinant GABAA alpha1beta3gamma2 receptor expressed in L(tk-) cells				J Med Chem 48: 7089-92 (2005) Article DOI: 10.1021/jm058034a BindingDB Entry DOI: 10.7270/Q2WH2PJ2
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185522 (7-(2-fluorophenyl)-3-(3-fluorophenyl)-2-((2-methyl...) Show SMILES Cn1ncnc1COc1nn2c(nncc2c1-c1cccc(F)c1)-c1ccccc1F Show InChI InChI=1S/C21H15F2N7O/c1-29-18(24-12-26-29)11-31-21-19(13-5-4-6-14(22)9-13)17-10-25-27-20(30(17)28-21)15-7-2-3-8-16(15)23/h2-10,12H,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	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]Ro15-1788 binding to human recombinant GABA-Aalpha3 plus beta3gamma2 receptor expressed in L(tk-) cells				Bioorg Med Chem Lett 16: 3550-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.081 BindingDB Entry DOI: 10.7270/Q21J99CH
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50162184 (1-ethyl-1H-2-imidazolylmethyl 6-phenyl-4,5,7,8-tet...) Show SMILES CCn1ccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(1.69,-5.72,;2.83,-4.7,;2.5,-3.18,;3.53,-2.04,;2.76,-.71,;1.24,-1.03,;1.1,-2.57,;-.23,-3.34,;-1.56,-2.57,;-1.56,-1.03,;-.25,-.26,;-.25,1.28,;.92,2.35,;.29,3.7,;-1.24,3.55,;-1.56,2.05,;-2.89,1.28,;-4.24,1.95,;-5.55,1.28,;-5.55,-.26,;-4.22,-1.03,;-5.17,.51,;-3.59,.51,;-2.89,-.26,;2.43,2.05,;2.92,.58,;4.44,.28,;5.44,1.44,;4.95,2.91,;3.44,3.2,)| Show InChI InChI=1S/C23H24N6O/c1-2-28-13-12-24-18(28)14-30-23-20-16-10-8-15(9-11-16)19(20)22-26-25-21(29(22)27-23)17-6-4-3-5-7-17/h3-7,12-13,15-16H,2,8-11,14H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.290	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 Inhibition of [3H]-Ro-15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 subtype expressed in L (tk-) cells				J Med Chem 48: 1367-83 (2005) Article DOI: 10.1021/jm040883v BindingDB Entry DOI: 10.7270/Q2ZW1KD2
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281560 (US10022461, Compound 12) Show SMILES Nc1ccc2cc(ncc2c1)-n1ccc2ccncc12 Show InChI InChI=1S/C16H12N4/c17-14-2-1-12-8-16(19-9-13(12)7-14)20-6-4-11-3-5-18-10-15(11)20/h1-10H,17H2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	0.290	-54.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148330 (2-(4-Fluoro-phenyl)-2,5,6,7,8,9-hexahydro-pyrazolo...) Show SMILES Fc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O Show InChI InChI=1S/C16H14FN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h5-9,19H,1-4H2	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.290	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 In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281561 (US10022461, Compound 13) Show SMILES COc1ccc2cc(ncc2c1)-n1ccc2ccncc12 Show InChI InChI=1S/C17H13N3O/c1-21-15-3-2-13-9-17(19-10-14(13)8-15)20-7-5-12-4-6-18-11-16(12)20/h2-11H,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	0.290	-54.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50176771 (7-(1,1-dimethyleth-1-yl)-3-(2-fluoro-phenyl)-6-(2-...) Show SMILES CCn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1ccccc1F Show InChI InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.310	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]Ro 15-1788 from human recombinant GABAA alpha2beta3gamma2 receptor expressed in L(tk-) cells				J Med Chem 48: 7089-92 (2005) Article DOI: 10.1021/jm058034a BindingDB Entry DOI: 10.7270/Q2WH2PJ2
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148323 (2-(4-Methoxy-phenyl)-2,5,6,7,8,9-hexahydro-pyrazol...) Show SMILES COc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O Show InChI InChI=1S/C17H17N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h6-10,19H,2-5H2,1H3	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.310	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 In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281633 (US10022461, Compound 103) Show SMILES COc1cccc2cc(ncc12)-n1ccc2ccncc12 Show InChI InChI=1S/C17H13N3O/c1-21-16-4-2-3-13-9-17(19-10-14(13)16)20-8-6-12-5-7-18-11-15(12)20/h2-11H,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.320	-54.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50079161 (5-Methyl-1-[1-(3-methyl-benzyl)-piperidin-4-yl]-4-...) Show SMILES Cc1c([nH]c(=O)n1C1CCN(Cc2cccc(C)c2)CC1)-c1ccccc1 Show InChI InChI=1S/C23H27N3O/c1-17-7-6-8-19(15-17)16-25-13-11-21(12-14-25)26-18(2)22(24-23(26)27)20-9-4-3-5-10-20/h3-10,15,21H,11-14,16H2,1-2H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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 Affinity to displace [3H]-spiperone from cloned human Dopamine receptor D4 stably expressed in HEK-393 cell lines				J Med Chem 42: 2706-15 (1999) Article DOI: 10.1021/jm991029k BindingDB Entry DOI: 10.7270/Q2P55MPV
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281563 (US10022461, Compound 14-1) Show SMILES CNc1ccc2cnc(cc2c1)-n1ccc2ccncc12 Show InChI InChI=1S/C17H14N4/c1-18-15-3-2-13-10-20-17(9-14(13)8-15)21-7-5-12-4-6-19-11-16(12)21/h2-11,18H,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.330	-54.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281609 (US10022461, Compound 59) Show SMILES Nc1cccc2cc(ncc12)-n1ccc2ccncc12 Show InChI InChI=1S/C16H12N4/c17-14-3-1-2-12-8-16(19-9-13(12)14)20-7-5-11-4-6-18-10-15(11)20/h1-10H,17H2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.330	-54.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					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
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
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
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50176772 (7-cyclopentyl-6-(2-methyl-2H-1,2,4-trizol-3-ylmeth...) Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C1CCCC1)-c1ccccc1 Show InChI InChI=1S/C20H21N7O/c1-26-18(21-13-22-26)12-28-20-16(14-7-5-6-8-14)11-17-23-24-19(27(17)25-20)15-9-3-2-4-10-15/h2-4,9-11,13-14H,5-8,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.340	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]Ro 15-1788 from human recombinant GABAA alpha3beta3gamma2 receptor expressed in L(tk-) cells				J Med Chem 48: 7089-92 (2005) Article DOI: 10.1021/jm058034a BindingDB Entry DOI: 10.7270/Q2WH2PJ2
					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
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50162180 (9-(3-ethoxy-2-pyridyloxy)-6-phenyl-4,5,7,8-tetraaz...) Show SMILES CCOc1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-3.36,-6.04,;-3.36,-4.5,;-2,-3.74,;-.67,-4.51,;-.67,-6.04,;.66,-6.81,;2,-6.04,;1.97,-4.51,;.66,-3.75,;.66,-2.22,;-.67,-1.45,;-.67,.09,;.64,.86,;.64,2.41,;1.81,3.48,;1.18,4.83,;-.34,4.69,;-.67,3.18,;-2,2.4,;-3.36,3.09,;-2.7,1.64,;-4.29,1.64,;-3.34,.09,;-4.67,.86,;-4.67,2.4,;-2,.86,;3.33,3.17,;4.33,4.34,;5.85,4.04,;6.34,2.57,;5.34,1.42,;3.82,1.72,)| Show InChI InChI=1S/C25H25N5O2/c1-2-31-20-9-6-14-26-19(20)15-32-25-22-17-12-10-16(11-13-17)21(22)24-28-27-23(30(24)29-25)18-7-4-3-5-8-18/h3-9,14,16-17H,2,10-13,15H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.360	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 Inhibition of [3H]-Ro-15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 subtype expressed in L (tk-) cells				J Med Chem 48: 1367-83 (2005) Article DOI: 10.1021/jm040883v BindingDB Entry DOI: 10.7270/Q2ZW1KD2
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185514 (7-cyclopropyl-3-(2-fluorophenyl)-2-((2-methyl-2H-1...) Show SMILES Cn1ncnc1COc1nn2c(nncc2c1-c1ccccc1F)C1CC1 |(25.8,-32.62,;24.27,-32.39,;23.2,-33.5,;21.82,-32.82,;22.03,-31.3,;23.56,-31.03,;24.33,-29.7,;23.57,-28.36,;24.34,-27.03,;25.88,-26.87,;26.21,-25.37,;27.55,-24.59,;27.54,-23.04,;26.2,-22.28,;24.88,-23.05,;24.87,-24.59,;23.72,-25.62,;22.39,-24.85,;22.39,-23.32,;21.06,-22.55,;19.72,-23.33,;19.73,-24.87,;21.07,-25.63,;21.08,-27.17,;28.88,-25.36,;29.65,-26.69,;30.42,-25.35,)| Show InChI InChI=1S/C18H16FN7O/c1-25-15(20-10-22-25)9-27-18-16(12-4-2-3-5-13(12)19)14-8-21-23-17(11-6-7-11)26(14)24-18/h2-5,8,10-11H,6-7,9H2,1H3	PDB 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 Inhibition of [3H]Ro15-1788 binding to human recombinant GABA-Aalpha3 plus beta3gamma2 receptor expressed in L(tk-) cells				Bioorg Med Chem Lett 16: 3550-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.081 BindingDB Entry DOI: 10.7270/Q21J99CH
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50176773 (7-tert-butyl-6-(2-methyl-2H-1,2,4-trizol-3-ylmetho...) Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1ccccc1 Show InChI InChI=1S/C19H21N7O/c1-19(2,3)14-10-15-22-23-17(13-8-6-5-7-9-13)26(15)24-18(14)27-11-16-20-12-21-25(16)4/h5-10,12H,11H2,1-4H3	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha1beta3gamma2 receptor expressed in L(tk-) cells				J Med Chem 48: 7089-92 (2005) Article DOI: 10.1021/jm058034a BindingDB Entry DOI: 10.7270/Q2WH2PJ2
					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
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-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50176772 (7-cyclopentyl-6-(2-methyl-2H-1,2,4-trizol-3-ylmeth...) Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C1CCCC1)-c1ccccc1 Show InChI InChI=1S/C20H21N7O/c1-26-18(21-13-22-26)12-28-20-16(14-7-5-6-8-14)11-17-23-24-19(27(17)25-20)15-9-3-2-4-10-15/h2-4,9-11,13-14H,5-8,12H2,1H3	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 Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha1beta3gamma2 receptor expressed in L(tk-) cells				J Med Chem 48: 7089-92 (2005) Article DOI: 10.1021/jm058034a BindingDB Entry DOI: 10.7270/Q2WH2PJ2
					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
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148331 (2-(4-Difluoromethoxy-phenyl)-5,5a,6,7,9,9a-hexahyd...) Show SMILES FC(F)Oc1ccc(cc1)-n1[nH]c2C3CSCCC3N=Cc2c1=O |c:21| Show InChI InChI=1S/C16H15F2N3O2S/c17-16(18)23-10-3-1-9(2-4-10)21-15(22)11-7-19-13-5-6-24-8-12(13)14(11)20-21/h1-4,7,12-13,16,20H,5-6,8H2	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	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 In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM281635 (US10022461, Compound 105) Show SMILES Nc1cc2cnc(cc2cc1F)-n1ccc2ccncc12 Show InChI InChI=1S/C16H11FN4/c17-13-5-11-7-16(20-8-12(11)6-14(13)18)21-4-2-10-1-3-19-9-15(10)21/h1-9H,18H2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.383	-53.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
					More data for this Ligand-Target Pair

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