BDBM50353005 CHEMBL1231666

SMILES: FC(F)(F)c1ccccc1S(=O)(=O)NNC(=O)c1cc2cc(Cl)ccc2o1

InChI Key: InChIKey=ZLQBZYKAQQWOTK-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50353005   

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 transferase (Homo sapiens (Human))	BDBM50353005 (CHEMBL1231666) Show SMILES FC(F)(F)c1ccccc1S(=O)(=O)NNC(=O)c1cc2cc(Cl)ccc2o1 Show InChI InChI=1S/C16H10ClF3N2O4S/c17-10-5-6-12-9(7-10)8-13(26-12)15(23)21-22-27(24,25)14-4-2-1-3-11(14)16(18,19)20/h1-8,22H,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant histidine-tagged BCATc expressed in Escherichia coli BL21 (DE3) after 50 mins using [13C]-L-leucine as substrate by N...				Bioorg Med Chem Lett 21: 5248-50 (2011) Article DOI: 10.1016/j.bmcl.2011.07.039 BindingDB Entry DOI: 10.7270/Q2CR5TR9
					More data for this Ligand-Target Pair				3D Structure (crystal)