Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50002681   

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
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50461578 (CHEMBL4227819) Show SMILES FC(F)(F)c1cccc(c1)-c1cnn2c1[nH]nc(-c1cc[nH]n1)c2=O Show InChI InChI=1S/C15H9F3N6O/c16-15(17,18)9-3-1-2-8(6-9)10-7-20-24-13(10)23-22-12(14(24)25)11-4-5-19-21-11/h1-7,23H,(H,19,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha1/beta2/gamma2 receptor after 90 mins by liquid scintillation counting method				Bioorg Med Chem 26: 2475-2487 (2018) Article DOI: 10.1016/j.bmc.2018.04.011 BindingDB Entry DOI: 10.7270/Q2D79F10
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50461573 (CHEMBL4227473) Show SMILES O=c1c(n[nH]c2c(cnn12)-c1ccccn1)-c1cc[nH]n1 Show InChI InChI=1S/C13H9N7O/c21-13-11(10-4-6-15-17-10)18-19-12-8(7-16-20(12)13)9-3-1-2-5-14-9/h1-7,19H,(H,15,17)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha1/beta2/gamma2 receptor after 90 mins by liquid scintillation counting method				Bioorg Med Chem 26: 2475-2487 (2018) Article DOI: 10.1016/j.bmc.2018.04.011 BindingDB Entry DOI: 10.7270/Q2D79F10
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50461577 (CHEMBL4228914) Show SMILES Brc1cccc(c1)-c1cnn2c1[nH]nc(-c1cc[nH]n1)c2=O Show InChI InChI=1S/C14H9BrN6O/c15-9-3-1-2-8(6-9)10-7-17-21-13(10)20-19-12(14(21)22)11-4-5-16-18-11/h1-7,20H,(H,16,18)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha1/beta2/gamma2 receptor after 90 mins by liquid scintillation counting method				Bioorg Med Chem 26: 2475-2487 (2018) Article DOI: 10.1016/j.bmc.2018.04.011 BindingDB Entry DOI: 10.7270/Q2D79F10
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50461572 (CHEMBL4225762) Show SMILES O=c1c(n[nH]c2c(cnn12)-c1cccnc1)-c1cc[nH]n1 Show InChI InChI=1S/C13H9N7O/c21-13-11(10-3-5-15-17-10)18-19-12-9(7-16-20(12)13)8-2-1-4-14-6-8/h1-7,19H,(H,15,17)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha1/beta2/gamma2 receptor after 90 mins by liquid scintillation counting method				Bioorg Med Chem 26: 2475-2487 (2018) Article DOI: 10.1016/j.bmc.2018.04.011 BindingDB Entry DOI: 10.7270/Q2D79F10
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50461576 (CHEMBL4228076) Show SMILES Clc1cccc(c1)-c1cnn2c1[nH]nc(-c1cc[nH]n1)c2=O Show InChI InChI=1S/C14H9ClN6O/c15-9-3-1-2-8(6-9)10-7-17-21-13(10)20-19-12(14(21)22)11-4-5-16-18-11/h1-7,20H,(H,16,18)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha1/beta2/gamma2 receptor after 90 mins by liquid scintillation counting method				Bioorg Med Chem 26: 2475-2487 (2018) Article DOI: 10.1016/j.bmc.2018.04.011 BindingDB Entry DOI: 10.7270/Q2D79F10
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50461571 (CHEMBL4225681) Show SMILES Fc1ccc(cc1)-c1cnn2c1[nH]nc(-c1cc[nH]n1)c2=O Show InChI InChI=1S/C14H9FN6O/c15-9-3-1-8(2-4-9)10-7-17-21-13(10)20-19-12(14(21)22)11-5-6-16-18-11/h1-7,20H,(H,16,18)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha1/beta2/gamma2 receptor after 90 mins by liquid scintillation counting method				Bioorg Med Chem 26: 2475-2487 (2018) Article DOI: 10.1016/j.bmc.2018.04.011 BindingDB Entry DOI: 10.7270/Q2D79F10
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50461579 (CHEMBL4227285) Show SMILES Fc1cccc(c1)-c1cnn2c1[nH]nc(-c1cc[nH]n1)c2=O Show InChI InChI=1S/C14H9FN6O/c15-9-3-1-2-8(6-9)10-7-17-21-13(10)20-19-12(14(21)22)11-4-5-16-18-11/h1-7,20H,(H,16,18)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha1/beta2/gamma2 receptor after 90 mins by liquid scintillation counting method				Bioorg Med Chem 26: 2475-2487 (2018) Article DOI: 10.1016/j.bmc.2018.04.011 BindingDB Entry DOI: 10.7270/Q2D79F10
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2 (Rattus norvegicus (Rat)-RAT)	BDBM50461578 (CHEMBL4227819) Show SMILES FC(F)(F)c1cccc(c1)-c1cnn2c1[nH]nc(-c1cc[nH]n1)c2=O Show InChI InChI=1S/C15H9F3N6O/c16-15(17,18)9-3-1-2-8(6-9)10-7-20-24-13(10)23-22-12(14(24)25)11-4-5-19-21-11/h1-7,23H,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	144	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha5/beta3/gamma2 receptor after 90 mins by liquid scintillation counting method				Bioorg Med Chem 26: 2475-2487 (2018) Article DOI: 10.1016/j.bmc.2018.04.011 BindingDB Entry DOI: 10.7270/Q2D79F10
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50461580 (CHEMBL4229045) Show SMILES O=c1c(n[nH]c2c(cnn12)-c1cccc2ccccc12)-c1cc[nH]n1 Show InChI InChI=1S/C18H12N6O/c25-18-16(15-8-9-19-21-15)22-23-17-14(10-20-24(17)18)13-7-3-5-11-4-1-2-6-12(11)13/h1-10,23H,(H,19,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha1/beta2/gamma2 receptor after 90 mins by liquid scintillation counting method				Bioorg Med Chem 26: 2475-2487 (2018) Article DOI: 10.1016/j.bmc.2018.04.011 BindingDB Entry DOI: 10.7270/Q2D79F10
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2 (Rattus norvegicus (Rat)-RAT)	BDBM50461580 (CHEMBL4229045) Show SMILES O=c1c(n[nH]c2c(cnn12)-c1cccc2ccccc12)-c1cc[nH]n1 Show InChI InChI=1S/C18H12N6O/c25-18-16(15-8-9-19-21-15)22-23-17-14(10-20-24(17)18)13-7-3-5-11-4-1-2-6-12(11)13/h1-10,23H,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	159	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha5/beta3/gamma2 receptor after 90 mins by liquid scintillation counting method				Bioorg Med Chem 26: 2475-2487 (2018) Article DOI: 10.1016/j.bmc.2018.04.011 BindingDB Entry DOI: 10.7270/Q2D79F10
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50461574 (CHEMBL4228009) Show SMILES O=c1c(n[nH]c2c(cnn12)-c1cccs1)-c1cc[nH]n1 Show InChI InChI=1S/C12H8N6OS/c19-12-10(8-3-4-13-15-8)16-17-11-7(6-14-18(11)12)9-2-1-5-20-9/h1-6,17H,(H,13,15)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	285	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha1/beta2/gamma2 receptor after 90 mins by liquid scintillation counting method				Bioorg Med Chem 26: 2475-2487 (2018) Article DOI: 10.1016/j.bmc.2018.04.011 BindingDB Entry DOI: 10.7270/Q2D79F10
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2 (Rattus norvegicus (Rat)-RAT)	BDBM50461575 (CHEMBL4228455) Show SMILES O=c1c(n[nH]c2c(cnn12)-c1ccccc1)-c1cc[nH]n1 Show InChI InChI=1S/C14H10N6O/c21-14-12(11-6-7-15-17-11)18-19-13-10(8-16-20(13)14)9-4-2-1-3-5-9/h1-8,19H,(H,15,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	408	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha5/beta3/gamma2 receptor after 90 mins by liquid scintillation counting method				Bioorg Med Chem 26: 2475-2487 (2018) Article DOI: 10.1016/j.bmc.2018.04.011 BindingDB Entry DOI: 10.7270/Q2D79F10
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50461575 (CHEMBL4228455) Show SMILES O=c1c(n[nH]c2c(cnn12)-c1ccccc1)-c1cc[nH]n1 Show InChI InChI=1S/C14H10N6O/c21-14-12(11-6-7-15-17-11)18-19-13-10(8-16-20(13)14)9-4-2-1-3-5-9/h1-8,19H,(H,15,17)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha1/beta2/gamma2 receptor after 90 mins by liquid scintillation counting method				Bioorg Med Chem 26: 2475-2487 (2018) Article DOI: 10.1016/j.bmc.2018.04.011 BindingDB Entry DOI: 10.7270/Q2D79F10
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2 (Rattus norvegicus (Rat)-RAT)	BDBM50461574 (CHEMBL4228009) Show SMILES O=c1c(n[nH]c2c(cnn12)-c1cccs1)-c1cc[nH]n1 Show InChI InChI=1S/C12H8N6OS/c19-12-10(8-3-4-13-15-8)16-17-11-7(6-14-18(11)12)9-2-1-5-20-9/h1-6,17H,(H,13,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	662	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha5/beta3/gamma2 receptor after 90 mins by liquid scintillation counting method				Bioorg Med Chem 26: 2475-2487 (2018) Article DOI: 10.1016/j.bmc.2018.04.011 BindingDB Entry DOI: 10.7270/Q2D79F10
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2 (Rattus norvegicus (Rat)-RAT)	BDBM50461571 (CHEMBL4225681) Show SMILES Fc1ccc(cc1)-c1cnn2c1[nH]nc(-c1cc[nH]n1)c2=O Show InChI InChI=1S/C14H9FN6O/c15-9-3-1-8(2-4-9)10-7-17-21-13(10)20-19-12(14(21)22)11-5-6-16-18-11/h1-7,20H,(H,16,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha5/beta3/gamma2 receptor after 90 mins by liquid scintillation counting method				Bioorg Med Chem 26: 2475-2487 (2018) Article DOI: 10.1016/j.bmc.2018.04.011 BindingDB Entry DOI: 10.7270/Q2D79F10
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2 (Rattus norvegicus (Rat)-RAT)	BDBM50461577 (CHEMBL4228914) Show SMILES Brc1cccc(c1)-c1cnn2c1[nH]nc(-c1cc[nH]n1)c2=O Show InChI InChI=1S/C14H9BrN6O/c15-9-3-1-2-8(6-9)10-7-17-21-13(10)20-19-12(14(21)22)11-4-5-16-18-11/h1-7,20H,(H,16,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha5/beta3/gamma2 receptor after 90 mins by liquid scintillation counting method				Bioorg Med Chem 26: 2475-2487 (2018) Article DOI: 10.1016/j.bmc.2018.04.011 BindingDB Entry DOI: 10.7270/Q2D79F10
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2 (Rattus norvegicus (Rat)-RAT)	BDBM50461572 (CHEMBL4225762) Show SMILES O=c1c(n[nH]c2c(cnn12)-c1cccnc1)-c1cc[nH]n1 Show InChI InChI=1S/C13H9N7O/c21-13-11(10-3-5-15-17-10)18-19-12-9(7-16-20(12)13)8-2-1-4-14-6-8/h1-7,19H,(H,15,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha5/beta3/gamma2 receptor after 90 mins by liquid scintillation counting method				Bioorg Med Chem 26: 2475-2487 (2018) Article DOI: 10.1016/j.bmc.2018.04.011 BindingDB Entry DOI: 10.7270/Q2D79F10
					More data for this Ligand-Target Pair