BDBM50026400 CHEMBL3331273

SMILES: FC(F)(F)c1ccc(Cl)c(NC(=O)Cn2cnc3ccccc3c2=O)c1

InChI Key: InChIKey=ICOXPFRXQRCGIA-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 = 50026400   

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-ACP Reductase (InhA) (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50026400 (CHEMBL3331273) Show SMILES FC(F)(F)c1ccc(Cl)c(NC(=O)Cn2cnc3ccccc3c2=O)c1 Show InChI InChI=1S/C17H11ClF3N3O2/c18-12-6-5-10(17(19,20)21)7-14(12)23-15(25)8-24-9-22-13-4-2-1-3-11(13)16(24)26/h1-7,9H,8H2,(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science - Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant InhA expressed in Escherichia coli BL21 (DE3) using 2-trans-decenoyl substrate by spectrophotome...				Eur J Med Chem 86: 613-27 (2014) Article DOI: 10.1016/j.ejmech.2014.09.028 BindingDB Entry DOI: 10.7270/Q2SJ1N7N
					More data for this Ligand-Target Pair