BDBM50017320 8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-triaza-benzo[g]cyclopenta[e]azulene-3-carboxylic acid tert-butyl ester::Bretazenil::CHEMBL444045::Ro-16-6028

SMILES: CC(C)(C)OC(=O)c1ncn-2c1C1CCCN1C(=O)c1c(Br)cccc-21

InChI Key: InChIKey=LWUDDYHYYNNIQI-UHFFFAOYSA-N

Data: 13 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50017320   

Target/Host (Institution)	Ligand	Target/Host 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
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50017320 (8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...) Show SMILES CC(C)(C)OC(=O)c1ncn-2c1C1CCCN1C(=O)c1c(Br)cccc-21 Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Clinic for Psychiatry Curated by PDSP Ki Database									Eur J Pharmacol 304: 155-62 (1996) Article DOI: 10.1016/0014-2999(96)00088-x BindingDB Entry DOI: 10.7270/Q2HD7T6P
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50017320 (8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...) Show SMILES CC(C)(C)OC(=O)c1ncn-2c1C1CCCN1C(=O)c1c(Br)cccc-21 Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 43: 970-5 (1993) BindingDB Entry DOI: 10.7270/Q2ZS2V1S
					More data for this Ligand-Target Pair
GABA A Alpha2Beta1Gamma2 (Homo sapiens (Human))	BDBM50017320 (8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...) Show SMILES CC(C)(C)OC(=O)c1ncn-2c1C1CCCN1C(=O)c1c(Br)cccc-21 Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 43: 970-5 (1993) BindingDB Entry DOI: 10.7270/Q2ZS2V1S
					More data for this Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50017320 (8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...) Show SMILES CC(C)(C)OC(=O)c1ncn-2c1C1CCCN1C(=O)c1c(Br)cccc-21 Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 43: 970-5 (1993) BindingDB Entry DOI: 10.7270/Q2ZS2V1S
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM50017320 (8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...) Show SMILES CC(C)(C)OC(=O)c1ncn-2c1C1CCCN1C(=O)c1c(Br)cccc-21 Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL 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
Georgetown University Curated by PDSP Ki Database									J Pharmacol Exp Ther 266: 1018-28 (1993) BindingDB Entry DOI: 10.7270/Q2Q81BK1
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A)) (Homo sapiens (Human))	BDBM50017320 (8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...) Show SMILES CC(C)(C)OC(=O)c1ncn-2c1C1CCCN1C(=O)c1c(Br)cccc-21 Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 43: 970-5 (1993) BindingDB Entry DOI: 10.7270/Q2ZS2V1S
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM50017320 (8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...) Show SMILES CC(C)(C)OC(=O)c1ncn-2c1C1CCCN1C(=O)c1c(Br)cccc-21 Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by PDSP Ki Database									J Pharmacol Exp Ther 266: 1018-28 (1993) BindingDB Entry DOI: 10.7270/Q2Q81BK1
					More data for this Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50017320 (8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...) Show SMILES CC(C)(C)OC(=O)c1ncn-2c1C1CCCN1C(=O)c1c(Br)cccc-21 Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	12.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 49: 253-9 (1996) BindingDB Entry DOI: 10.7270/Q2639N8C
					More data for this Ligand-Target Pair
GABA A Alpha4Beta2Gamma2 (Homo sapiens (Human))	BDBM50017320 (8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...) Show SMILES CC(C)(C)OC(=O)c1ncn-2c1C1CCCN1C(=O)c1c(Br)cccc-21 Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Clinic for Psychiatry Curated by PDSP Ki Database									Eur J Pharmacol 304: 155-62 (1996) Article DOI: 10.1016/0014-2999(96)00088-x BindingDB Entry DOI: 10.7270/Q2HD7T6P
					More data for this Ligand-Target Pair
GABA A Alpha4Beta2Gamma2 (Homo sapiens (Human))	BDBM50017320 (8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...) Show SMILES CC(C)(C)OC(=O)c1ncn-2c1C1CCCN1C(=O)c1c(Br)cccc-21 Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Clinic for Psychiatry Curated by PDSP Ki Database									Eur J Pharmacol 304: 155-62 (1996) Article DOI: 10.1016/0014-2999(96)00088-x BindingDB Entry DOI: 10.7270/Q2HD7T6P
					More data for this Ligand-Target Pair
GABA A Alpha4Beta2Gamma2 (Homo sapiens (Human))	BDBM50017320 (8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...) Show SMILES CC(C)(C)OC(=O)c1ncn-2c1C1CCCN1C(=O)c1c(Br)cccc-21 Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by PDSP Ki Database									Eur J Pharmacol 291: 319-25 (1995) Article DOI: 10.1016/0922-4106(95)90072-1 BindingDB Entry DOI: 10.7270/Q2JD4VB2
					More data for this Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50017320 (8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...) Show SMILES CC(C)(C)OC(=O)c1ncn-2c1C1CCCN1C(=O)c1c(Br)cccc-21 Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by PDSP Ki Database									Eur J Pharmacol 291: 319-25 (1995) Article DOI: 10.1016/0922-4106(95)90072-1 BindingDB Entry DOI: 10.7270/Q2JD4VB2
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM50017320 (8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...) Show SMILES CC(C)(C)OC(=O)c1ncn-2c1C1CCCN1C(=O)c1c(Br)cccc-21 Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by PDSP Ki Database									J Pharmacol Exp Ther 266: 1018-28 (1993) BindingDB Entry DOI: 10.7270/Q2Q81BK1
					More data for this Ligand-Target Pair