BDBM50242613 8-Isothiocyanato-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-triaza-benzo[e]azulene-3-carboxylic acid ethyl ester::CHEMBL485829

SMILES: CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=C=S

InChI Key: InChIKey=HNQZCUNPKHMCQJ-UHFFFAOYSA-N

Data: 1 Kd  1 EC50

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 2 hits for monomerid = 50242613   

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))	BDBM50242613 (8-Isothiocyanato-5-methyl-6-oxo-5,6-dihydro-4H-2,5...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=C=S Show InChI InChI=1S/C16H14N4O3S/c1-3-23-16(22)14-13-7-19(2)15(21)11-6-10(18-9-24)4-5-12(11)20(13)8-17-14/h4-6,8H,3,7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	878	n/a	n/a	n/a	n/a	n/a
University of Bern Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from rat GABAA alpha1beta2gamma2 receptor expressed in HEK293 cells after 1 hr assessed as residual binding by liquid s...				J Biol Chem 282: 26316-25 (2007) Article DOI: 10.1074/jbc.M702153200 BindingDB Entry DOI: 10.7270/Q2PR7VR8
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50242613 (8-Isothiocyanato-5-methyl-6-oxo-5,6-dihydro-4H-2,5...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=C=S Show InChI InChI=1S/C16H14N4O3S/c1-3-23-16(22)14-13-7-19(2)15(21)11-6-10(18-9-24)4-5-12(11)20(13)8-17-14/h4-6,8H,3,7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a
University of Bern Curated by ChEMBL					Assay Description Activity at rat wild type GABAA alpha1beta2gamma2 receptor expressed in xenopus oocytes assessed as GABA-elicited response by two electrode voltage c...				J Biol Chem 282: 26316-25 (2007) Article DOI: 10.1074/jbc.M702153200 BindingDB Entry DOI: 10.7270/Q2PR7VR8
					More data for this Ligand-Target Pair