BDBM50527796 CHEMBL4473331

SMILES: NCc1ccc(NS(=O)(=O)\C=C\c2cccc(c2)C(F)(F)F)cc1

InChI Key: InChIKey=SQFHDZAXKLOWDU-CMDGGOBGSA-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 = 50527796   

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
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50527796 (CHEMBL4473331) Show SMILES NCc1ccc(NS(=O)(=O)\C=C\c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C16H15F3N2O2S/c17-16(18,19)14-3-1-2-12(10-14)8-9-24(22,23)21-15-6-4-13(11-20)5-7-15/h1-10,21H,11,20H2/b9-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of hexahistidine-SUMO tagged Mycobacterium tuberculosis InhA expressed in Escherichia coli BL21(DE3) at preincubated for 10 mins with NADH...				J Med Chem 63: 4749-4761 (2020) Article DOI: 10.1021/acs.jmedchem.0c00007
					More data for this Ligand-Target Pair