BDBM50378527 CHEMBL569010

SMILES: CCOC(=O)c1ncn-2c1Cn1ncnc1-c1cc(ccc-21)C#C

InChI Key: InChIKey=SPUDBCPXWITYDE-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50378527   

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
GABA receptor alpha-5/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50378527 (CHEMBL569010) Show SMILES CCOC(=O)c1ncn-2c1Cn1ncnc1-c1cc(ccc-21)C#C Show InChI InChI=1S/C17H13N5O2/c1-3-11-5-6-13-12(7-11)16-18-9-20-22(16)8-14-15(17(23)24-4-2)19-10-21(13)14/h1,5-7,9-10H,4,8H2,2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor				Bioorg Med Chem Lett 19: 5746-52 (2009) Article DOI: 10.1016/j.bmcl.2009.07.153 BindingDB Entry DOI: 10.7270/Q2PR7WZC
					More data for this Ligand-Target Pair