BDBM50118618 CHEMBL3617108

SMILES: CCCc1cc(=O)n2nc(NC(=O)c3ccc(Cl)cc3)c(C#N)c2[nH]1

InChI Key: InChIKey=ANHSTEBNHFWYNU-UHFFFAOYSA-N

Data: 1 IC50

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 = 50118618   

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
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50118618 (CHEMBL3617108) Show SMILES CCCc1cc(=O)n2nc(NC(=O)c3ccc(Cl)cc3)c(C#N)c2[nH]1 Show InChI InChI=1S/C17H14ClN5O2/c1-2-3-12-8-14(24)23-16(20-12)13(9-19)15(22-23)21-17(25)10-4-6-11(18)7-5-10/h4-8,20H,2-3H2,1H3,(H,21,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...				J Med Chem 58: 7140-63 (2015) BindingDB Entry DOI: 10.7270/Q2T43VWK
					More data for this Ligand-Target Pair