Compile Data Set for Download or QSAR

Found 42 hits of ic50 data for polymerid = 49000543,50001801,5521   

Target (Institution)	Ligand	Target Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50337263 (3-(2-chlorobenzyloxy)-2-(2-fluorophenyl)-2H-pyrazo...) Show SMILES Fc1ccccc1-n1nc2c(cnc3ccccc23)c1OCc1ccccc1Cl Show InChI InChI=1S/C23H15ClFN3O/c24-18-9-3-1-7-15(18)14-29-23-17-13-26-20-11-5-2-8-16(20)22(17)27-28(23)21-12-6-4-10-19(21)25/h1-13H,14H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Citation and Details
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM84957 (CGS 9896 | CHEMBL20042) Show SMILES Clc1ccc(cc1)-n1[nH]c2c(cnc3ccccc23)c1=O Show InChI InChI=1S/C16H10ClN3O/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/h1-9,19H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Citation and Details
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM98558 (US8492408, 7a) Show SMILES COc1ncccc1-c1cc(ccn1)-n1cnc2cc(ccc12)C(C)(C)O Show InChI InChI=1S/C21H20N4O2/c1-21(2,26)14-6-7-19-18(11-14)24-13-25(19)15-8-10-22-17(12-15)16-5-4-9-23-20(16)27-3/h4-13,26H,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem AffyNet	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Aniona APS US Patent					Assay Description In vitro inhibition assay using GABA receptor.				US Patent US8492408 (2013)
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM98560 (US8492408, 7c) Show SMILES CC(C)(O)c1ccc2n(cnc2c1)-c1ccnc(c1)-c1ccncc1F Show InChI InChI=1S/C20H17FN4O/c1-20(2,26)13-3-4-19-18(9-13)24-12-25(19)14-5-8-23-17(10-14)15-6-7-22-11-16(15)21/h3-12,26H,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem AffyNet	US Patent	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Aniona APS US Patent					Assay Description In vitro inhibition assay using GABA receptor.				US Patent US8492408 (2013)
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars AffyNet	Article	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]-Flumazenil binding to recombinant GABA-A receptor alpha-1 subunit in cerebellum				Citation and Details
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM98561 (US8492408, 7d) Show SMILES CC(C)(O)c1ccc2n(cnc2c1)-c1ccnc(c1)-c1ccncc1C#N Show InChI InChI=1S/C21H17N5O/c1-21(2,27)15-3-4-20-19(9-15)25-13-26(20)16-5-8-24-18(10-16)17-6-7-23-12-14(17)11-22/h3-10,12-13,27H,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem AffyNet	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Aniona APS US Patent					Assay Description In vitro inhibition assay using GABA receptor.				US Patent US8492408 (2013)
					More data for this Ligand-Target Pair
GABA A receptor alpha-4/beta-3/gamma-2 (Homo sapiens)	BDBM50106148 (5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]...) Show SMILES Nc1c(c(nn1-c1c(Cl)cc(cc1Cl)C(F)(F)F)C#N)S(=O)C(F)(F)F Show InChI InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents AffyNet	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of [3H]-EBOB binding to drosophila GABA-A receptor (range 1-28)				Bioorg Med Chem Lett 11: 2979-81 (2001)
					More data for this Ligand-Target Pair
GABA A receptor alpha-4/beta-3/gamma-2 (Homo sapiens)	BDBM50106149 (1-(2,6-Dichloro-4-trifluoromethyl-phenyl)-4-(3-tri...) Show SMILES Show InChI InChI=1S/C12H4Cl2F6N4/c13-7-1-5(11(15,16)17)2-8(14)9(7)24-4-6(3-21-24)10(22-23-10)12(18,19)20/h1-4H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem AffyNet	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of [3H]-EBOB binding to drosophila GABA-A receptor (range 1-28)				Bioorg Med Chem Lett 11: 2979-81 (2001)
					More data for this Ligand-Target Pair
GABA A receptor alpha-4/beta-3/gamma-2 (Homo sapiens)	BDBM50106148 (5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]...) Show SMILES Nc1c(c(nn1-c1c(Cl)cc(cc1Cl)C(F)(F)F)C#N)S(=O)C(F)(F)F Show InChI InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents AffyNet	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of [3H]-EBOB binding to human GABA-A receptor beta3 subunit (range 1-28)				Bioorg Med Chem Lett 11: 2979-81 (2001)
					More data for this Ligand-Target Pair
GABA A receptor alpha-4/beta-3/gamma-2 (Homo sapiens)	BDBM50106149 (1-(2,6-Dichloro-4-trifluoromethyl-phenyl)-4-(3-tri...) Show SMILES Show InChI InChI=1S/C12H4Cl2F6N4/c13-7-1-5(11(15,16)17)2-8(14)9(7)24-4-6(3-21-24)10(22-23-10)12(18,19)20/h1-4H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem AffyNet	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of [3H]-EBOB binding to human GABA-A receptor beta3 subunit (range 1-28)				Bioorg Med Chem Lett 11: 2979-81 (2001)
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM98559 (US8492408, 7b) Show SMILES CC(C)(O)c1ccc2n(cnc2c1)-c1ccnc(c1)-c1cccnc1Cl Show InChI InChI=1S/C20H17ClN4O/c1-20(2,26)13-5-6-18-17(10-13)24-12-25(18)14-7-9-22-16(11-14)15-4-3-8-23-19(15)21/h3-12,26H,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem AffyNet	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Aniona APS US Patent					Assay Description In vitro inhibition assay using GABA receptor.				US Patent US8492408 (2013)
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50337265 (3-(2-chlorobenzyloxy)-2-(4-chlorophenyl)-6,7,8,9-t...) Show SMILES Clc1ccc(cc1)-n1nc2c3CCCCc3ncc2c1OCc1ccccc1Cl Show InChI InChI=1S/C23H19Cl2N3O/c24-16-9-11-17(12-10-16)28-23(29-14-15-5-1-3-7-20(15)25)19-13-26-21-8-4-2-6-18(21)22(19)27-28/h1,3,5,7,9-13H,2,4,6,8,14H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Citation and Details
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50337271 (2-(4-chlorophenyl)-3-(4-fluorobenzyloxy)-6,7,8,9-t...) Show SMILES Fc1ccc(COc2n(nc3c4CCCCc4ncc23)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C23H19ClFN3O/c24-16-7-11-18(12-8-16)28-23(29-14-15-5-9-17(25)10-6-15)20-13-26-21-4-2-1-3-19(21)22(20)27-28/h5-13H,1-4,14H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Citation and Details
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50337264 (2-(benzo[d][1,3]dioxol-5-yl)-3-(2-chlorobenzyloxy)...) Show SMILES Clc1ccccc1COc1n(nc2c1cnc1ccccc21)-c1ccc2OCOc2c1 Show InChI InChI=1S/C24H16ClN3O3/c25-19-7-3-1-5-15(19)13-29-24-18-12-26-20-8-4-2-6-17(20)23(18)27-28(24)16-9-10-21-22(11-16)31-14-30-21/h1-12H,13-14H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Citation and Details
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50337274 (3-(2-chlorobenzyloxy)-2-(4-chlorophenyl)-2H-pyrazo...) Show SMILES Clc1ccc(cc1)-n1nc2c(cnc3ccccc23)c1OCc1ccccc1Cl Show InChI InChI=1S/C23H15Cl2N3O/c24-16-9-11-17(12-10-16)28-23(29-14-15-5-1-3-7-20(15)25)19-13-26-21-8-4-2-6-18(21)22(19)27-28/h1-13H,14H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Citation and Details
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50337270 (2-(4-chlorophenyl)-3-(2-fluorobenzyloxy)-6,7,8,9-t...) Show SMILES Fc1ccccc1COc1n(nc2c3CCCCc3ncc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H19ClFN3O/c24-16-9-11-17(12-10-16)28-23(29-14-15-5-1-3-7-20(15)25)19-13-26-21-8-4-2-6-18(21)22(19)27-28/h1,3,5,7,9-13H,2,4,6,8,14H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Citation and Details
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50337268 (3-(2-chlorobenzyloxy)-2-(4-chlorophenyl)-8,8-dimet...) Show SMILES CC1(C)CCc2ncc3c(OCc4ccccc4Cl)n(nc3c2C1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H23Cl2N3O/c1-25(2)12-11-22-19(13-25)23-20(14-28-22)24(31-15-16-5-3-4-6-21(16)27)30(29-23)18-9-7-17(26)8-10-18/h3-10,14H,11-13,15H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Citation and Details
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50337272 (2-(4-chlorophenyl)-3-(cyclopropylmethoxy)-2H-pyraz...) Show SMILES Clc1ccc(cc1)-n1nc2c(cnc3ccccc23)c1OCC1CC1 Show InChI InChI=1S/C20H16ClN3O/c21-14-7-9-15(10-8-14)24-20(25-12-13-5-6-13)17-11-22-18-4-2-1-3-16(18)19(17)23-24/h1-4,7-11,13H,5-6,12H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Citation and Details
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50337275 (2-(4-chlorophenyl)-3-(cyclopropylmethoxy)-6,7,8,9-...) Show SMILES Clc1ccc(cc1)-n1nc2c3CCCCc3ncc2c1OCC1CC1 Show InChI InChI=1S/C20H20ClN3O/c21-14-7-9-15(10-8-14)24-20(25-12-13-5-6-13)17-11-22-18-4-2-1-3-16(18)19(17)23-24/h7-11,13H,1-6,12H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Citation and Details
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars AffyNet	Article	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]flumazenil binding to recombinant GABA-A receptor alpha-1 subunit in spinal cord				Citation and Details
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50337277 (2-(4-chlorophenyl)-3-(cyclopropylmethoxy)-8-(1H-im...) Show SMILES Clc1ccc(cc1)-n1nc2c(cnc3ccc(cc23)-n2ccnc2)c1OCC1CC1 Show InChI InChI=1S/C23H18ClN5O/c24-16-3-5-17(6-4-16)29-23(30-13-15-1-2-15)20-12-26-21-8-7-18(28-10-9-25-14-28)11-19(21)22(20)27-29/h3-12,14-15H,1-2,13H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Citation and Details
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50097413 (CHEMBL3586473) Show SMILES COc1cccc(F)c1C1=NCc2cnc(Nc3ccc(cc3)C(O)=O)nc2-c2ccc(Cl)cc12 Show InChI InChI=1S/C26H18ClFN4O3/c1-35-21-4-2-3-20(28)22(21)24-19-11-16(27)7-10-18(19)23-15(12-29-24)13-30-26(32-23)31-17-8-5-14(6-9-17)25(33)34/h2-11,13H,12H2,1H3,(H,33,34)(H,30,31,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem AffyNet	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceuticals International Co. , 40 Landsdowne Street, Cambridge, Massachusetts 02139, United States. Curated by ChEMBL					Assay Description Binding affinity to GABAA alpha-1 benzodiazepine binding site (unknown origin)				Citation and Details
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50337269 (3-(4-chlorobenzyloxy)-2-(4-chlorophenyl)-6,7,8,9-t...) Show SMILES Clc1ccc(COc2n(nc3c4CCCCc4ncc23)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C23H19Cl2N3O/c24-16-7-5-15(6-8-16)14-29-23-20-13-26-21-4-2-1-3-19(21)22(20)27-28(23)18-11-9-17(25)10-12-18/h5-13H,1-4,14H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	157	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Citation and Details
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50337266 (3-(2-chlorobenzyloxy)-2-(4-chlorophenyl)-2,6,7,8,9...) Show SMILES Clc1ccc(cc1)-n1nc2c3CCCCCc3ncc2c1OCc1ccccc1Cl Show InChI InChI=1S/C24H21Cl2N3O/c25-17-10-12-18(13-11-17)29-24(30-15-16-6-4-5-8-21(16)26)20-14-27-22-9-3-1-2-7-19(22)23(20)28-29/h4-6,8,10-14H,1-3,7,9,15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	242	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Citation and Details
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM31093 (4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...) Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceuticals International Co. , 40 Landsdowne Street, Cambridge, Massachusetts 02139, United States. Curated by ChEMBL					Assay Description Binding affinity to GABAA alpha-1 benzodiazepine binding site (unknown origin)				Citation and Details
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50244157 (CHEMBL458317 | N-(4-chlorophenyl)-5-(2-(methylthio...) Show SMILES CSc1nccc(n1)-c1ccc(s1)S(=O)(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C15H12ClN3O2S3/c1-22-15-17-9-8-12(18-15)13-6-7-14(23-13)24(20,21)19-11-4-2-10(16)3-5-11/h2-9,19H,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem AffyNet	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Moltech Corporation Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-4513 from GABAA alpha-1-beta-2-gamma-2 receptor expressed in Sf9 baculovirus system				Citation and Details
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50277545 (4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[...) Show SMILES COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O Show InChI InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceuticals International Co. , 40 Landsdowne Street, Cambridge, Massachusetts 02139, United States. Curated by ChEMBL					Assay Description Binding affinity to GABAA alpha-1 benzodiazepine binding site (unknown origin)				Citation and Details
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50244155 (1-(4-chlorobenzoyl)-3-(methylthio)-hexahydrobenzo[...) Show SMILES CSC1SC(C2CCCC(=O)C12)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C16H17ClO2S2/c1-20-16-13-11(3-2-4-12(13)18)15(21-16)14(19)9-5-7-10(17)8-6-9/h5-8,11,13,15-16H,2-4H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Moltech Corporation Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-4513 from GABAA alpha-1-beta-2-gamma-2 receptor expressed in Sf9 baculovirus system				Citation and Details
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50244154 (1-(4-chlorobenzoyl)-6,6-dimethyl-3-(methylthio)-he...) Show SMILES CSC1SC(C2CC(C)(C)CC(=O)C12)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H21ClO2S2/c1-18(2)8-12-14(13(20)9-18)17(22-3)23-16(12)15(21)10-4-6-11(19)7-5-10/h4-7,12,14,16-17H,8-9H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Moltech Corporation Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-4513 from GABAA alpha-1-beta-2-gamma-2 receptor expressed in Sf9 baculovirus system				Citation and Details
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50244192 ((3-aminobenzo[b]thiophen-2-yl)(4-chlorophenyl)meth...) Show SMILES Nc1c(sc2ccccc12)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H10ClNOS/c16-10-7-5-9(6-8-10)14(18)15-13(17)11-3-1-2-4-12(11)19-15/h1-8H,17H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem AffyNet	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Moltech Corporation Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-4513 from GABAA alpha-1-beta-2-gamma-2 receptor expressed in Sf9 baculovirus system				Citation and Details
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50337276 (3-(2-chlorophenoxy)-2-(4-chlorophenyl)-6,7,8,9-tet...) Show SMILES Clc1ccc(cc1)-n1nc2c3CCCCc3ncc2c1Oc1ccccc1Cl Show InChI InChI=1S/C22H17Cl2N3O/c23-14-9-11-15(12-10-14)27-22(28-20-8-4-2-6-18(20)24)17-13-25-19-7-3-1-5-16(19)21(17)26-27/h2,4,6,8-13H,1,3,5,7H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Citation and Details
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50395121 (CHEMBL2163548) Show SMILES CN1C(=O)NC(=O)[C@](CC=C)(C1=O)c1cccc(c1)C1(N=N1)C(F)(F)F Show InChI InChI=1S/C16H13F3N4O3/c1-3-7-14(11(24)20-13(26)23(2)12(14)25)9-5-4-6-10(8-9)15(21-22-15)16(17,18)19/h3-6,8H,1,7H2,2H3,(H,20,24,26)/t14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Displacement of [3H]R-(-)-14 from human FLAG-tagged alpha1 GABA A receptor expressed in HEK293S cells				Citation and Details
					More data for this Ligand-Target Pair
GABA A receptor alpha-4/beta-3/gamma-2 (Homo sapiens)	BDBM50395121 (CHEMBL2163548) Show SMILES CN1C(=O)NC(=O)[C@](CC=C)(C1=O)c1cccc(c1)C1(N=N1)C(F)(F)F Show InChI InChI=1S/C16H13F3N4O3/c1-3-7-14(11(24)20-13(26)23(2)12(14)25)9-5-4-6-10(8-9)15(21-22-15)16(17,18)19/h3-6,8H,1,7H2,2H3,(H,20,24,26)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Displacement of [3H]R-(-)-14 from human FLAG-tagged beta3 GABA A receptor expressed in HEK293S cells				Citation and Details
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50244193 (4-bromo-3,5-dimethyl-1-((4-(3-nitrophenyl)thiazol-...) Show SMILES Cc1nn(Cc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)c(C)c1Br Show InChI InChI=1S/C15H13BrN4O2S/c1-9-15(16)10(2)19(18-9)7-14-17-13(8-23-14)11-4-3-5-12(6-11)20(21)22/h3-6,8H,7H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem AffyNet	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Moltech Corporation Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-4513 from GABAA alpha-1-beta-2-gamma-2 receptor expressed in Sf9 baculovirus system				Citation and Details
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50019266 (1-Methyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepi...) Show SMILES CN1c2ccccc2C(=NCC1=O)c1ccccc1 Show InChI InChI=1S/C16H14N2O/c1-18-14-10-6-5-9-13(14)16(17-11-15(18)19)12-7-3-2-4-8-12/h2-10H,11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Moltech Corporation Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-4513 from GABAA alpha-1-beta-2-gamma-2 receptor expressed in Sf9 baculovirus system				Citation and Details
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50184953 (A-33903 | CHEMBL204738 | N-(2-oxo-5-phenyl-2,3-dih...) Show SMILES CC(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O Show InChI InChI=1S/C17H15N3O2/c1-11(21)18-16-17(22)19-14-10-6-5-9-13(14)15(20-16)12-7-3-2-4-8-12/h2-10,16H,1H3,(H,18,21)(H,19,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Moltech Corporation Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-4513 from GABAA alpha-1-beta-2-gamma-2 receptor expressed in Sf9 baculovirus system				Citation and Details
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50244156 (6,6-dimethyl-3-(methylthio)-1-(3-nitrobenzoyl)-hex...) Show SMILES CSC1SC(C2CC(C)(C)CC(=O)C12)C(=O)c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C18H21NO4S2/c1-18(2)8-12-14(13(20)9-18)17(24-3)25-16(12)15(21)10-5-4-6-11(7-10)19(22)23/h4-7,12,14,16-17H,8-9H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem AffyNet	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Moltech Corporation Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-4513 from GABAA alpha-1-beta-2-gamma-2 receptor expressed in Sf9 baculovirus system				Citation and Details
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM225230 (EED226) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12 Show InChI InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem AffyNet	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research					Assay Description All HMT reactions were performed as described previously [Nasveschuk et al., ACS Med. Chem. Lett., 5:378-383].				Nat Chem Biol 13: 381-388 (2017)
					More data for this Ligand-Target Pair
GABA A receptor alpha-4/beta-3/gamma-2 (Homo sapiens)	BDBM50055935 (5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidi...) Show SMILES CCCC(C)C1(CC)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	8.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Displacement of [3H]R-(-)-14 from human FLAG-tagged beta3 GABA A receptor expressed in HEK293S cells				Citation and Details
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50395120 (CHEMBL2163549) Show SMILES CN1C(=O)NC(=O)[C@@](CC=C)(C1=O)c1cccc(c1)C1(N=N1)C(F)(F)F Show InChI InChI=1S/C16H13F3N4O3/c1-3-7-14(11(24)20-13(26)23(2)12(14)25)9-5-4-6-10(8-9)15(21-22-15)16(17,18)19/h3-6,8H,1,7H2,2H3,(H,20,24,26)/t14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Displacement of [3H]R-(-)-14 from human FLAG-tagged alpha1 GABA A receptor expressed in HEK293S cells				Citation and Details
					More data for this Ligand-Target Pair
GABA A receptor alpha-4/beta-3/gamma-2 (Homo sapiens)	BDBM50395120 (CHEMBL2163549) Show SMILES CN1C(=O)NC(=O)[C@@](CC=C)(C1=O)c1cccc(c1)C1(N=N1)C(F)(F)F Show InChI InChI=1S/C16H13F3N4O3/c1-3-7-14(11(24)20-13(26)23(2)12(14)25)9-5-4-6-10(8-9)15(21-22-15)16(17,18)19/h3-6,8H,1,7H2,2H3,(H,20,24,26)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Displacement of [3H]R-(-)-14 from human FLAG-tagged beta3 GABA A receptor expressed in HEK293S cells				Citation and Details
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50055935 (5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidi...) Show SMILES CCCC(C)C1(CC)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Displacement of [3H]R-(-)-14 from human FLAG-tagged alpha1 GABA A receptor expressed in HEK293S cells				Citation and Details
					More data for this Ligand-Target Pair