BDBM50378494 CHEMBL578816

SMILES: Cc1ncn-2c1Cn1c(C)cnc1-c1cc(Br)ccc-21

InChI Key: InChIKey=CERMPQZHTUYWEK-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 = 50378494   

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))	BDBM50378494 (CHEMBL578816) Show SMILES Cc1ncn-2c1Cn1c(C)cnc1-c1cc(Br)ccc-21 Show InChI InChI=1S/C15H13BrN4/c1-9-6-17-15-12-5-11(16)3-4-13(12)20-8-18-10(2)14(20)7-19(9)15/h3-6,8H,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.7	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