BDBM50244072 8-Ethyl-5-methyl-6-oxo-3a,4,5,6-tetrahydro-1H-2,5,10b-triaza-benzo[e]azulene-3-carboxylic acid ethyl ester::CHEMBL454865

SMILES: CCOC(=O)C1=NCN2C1CN(C)C(=O)c1cc(CC)ccc21

InChI Key: InChIKey=RYODDIOYGKHDCF-UHFFFAOYSA-N

Data: 2 Kd

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 = 50244072   

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-5 (GABA(A)) (Homo sapiens (Human))	BDBM50244072 (8-Ethyl-5-methyl-6-oxo-3a,4,5,6-tetrahydro-1H-2,5,...) Show SMILES CCOC(=O)C1=NCN2C1CN(C)C(=O)c1cc(CC)ccc21 |t:5| Show InChI InChI=1S/C17H21N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h6-8,14H,4-5,9-10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a
Moltech Corporation Curated by ChEMBL					Assay Description Binding affinity to GABAA alpha-5-beta-2-gamma-2 receptor				J Med Chem 51: 3788-803 (2008) Article DOI: 10.1021/jm701433b BindingDB Entry DOI: 10.7270/Q2FQ9XH6
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50244072 (8-Ethyl-5-methyl-6-oxo-3a,4,5,6-tetrahydro-1H-2,5,...) Show SMILES CCOC(=O)C1=NCN2C1CN(C)C(=O)c1cc(CC)ccc21 |t:5| Show InChI InChI=1S/C17H21N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h6-8,14H,4-5,9-10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	20.4	n/a	n/a	n/a	n/a	n/a
Moltech Corporation Curated by ChEMBL					Assay Description Binding affinity to GABAA alpha-1-beta-2-gamma-2 receptor				J Med Chem 51: 3788-803 (2008) Article DOI: 10.1021/jm701433b BindingDB Entry DOI: 10.7270/Q2FQ9XH6
					More data for this Ligand-Target Pair