BDBM50295332 CHEMBL4174928

SMILES: Cc1csc(n1)C(C)(O)c1n[nH]\c(=N/C(=O)c2c(F)cccc2F)s1

InChI Key: InChIKey=KWAOUIWSWOMRRH-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 = 50295332   

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...)	BDBM50295332 (CHEMBL4174928) Show SMILES Cc1csc(n1)C(C)(O)c1n[nH]\c(=N/C(=O)c2c(F)cccc2F)s1 Show InChI InChI=1S/C15H12F2N4O2S2/c1-7-6-24-12(18-7)15(2,23)13-20-21-14(25-13)19-11(22)10-8(16)4-3-5-9(10)17/h3-6,23H,1-2H3,(H,19,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis InhA using dodecenoyl-CoA as substrate in presence of NADH by fluorimetric analysis				Eur J Med Chem 146: 318-343 (2018) Article DOI: 10.1016/j.ejmech.2018.01.047 BindingDB Entry DOI: 10.7270/Q2GF0X12
					More data for this Ligand-Target Pair