BDBM50462538 CHEMBL4240435

SMILES: FC(F)(F)c1ccc(NC(=O)N2CCN(CC2)c2ccncc2)cc1

InChI Key: InChIKey=ALLYCDOJKGMNIP-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 = 50462538   

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
Aspartate aminotransferase, cytoplasmic (Homo sapiens)	BDBM50462538 (CHEMBL4240435) Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCN(CC2)c2ccncc2)cc1 Show InChI InChI=1S/C17H17F3N4O/c18-17(19,20)13-1-3-14(4-2-13)22-16(25)24-11-9-23(10-12-24)15-5-7-21-8-6-15/h1-8H,9-12H2,(H,22,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
California Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of GOT1 (unknown origin) using aspartate and alpha-ketoglutarate as substrate after 20 mins by MDH1 enzyme-coupled fluorescence assay				Bioorg Med Chem Lett 28: 2675-2678 (2018) Article DOI: 10.1016/j.bmcl.2018.04.061 BindingDB Entry DOI: 10.7270/Q2MC92P6
					More data for this Ligand-Target Pair