BDBM50537353 CHEMBL4552155

SMILES: COc1ccc(\C=C2\SC(=S)N(CC(=O)c3ccccc3)C2=O)cc1

InChI Key: InChIKey=XLYOMJLCZYEFPL-GZTJUZNOSA-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 = 50537353   

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...)	BDBM50537353 (CHEMBL4552155) Show SMILES COc1ccc(\C=C2\SC(=S)N(CC(=O)c3ccccc3)C2=O)cc1 Show InChI InChI=1S/C19H15NO3S2/c1-23-15-9-7-13(8-10-15)11-17-18(22)20(19(24)25-17)12-16(21)14-5-3-2-4-6-14/h2-11H,12H2,1H3/b17-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant Mycobacterium tuberculosis InhA expressed in Escherichia coli Rosette(DE3) pLysS using trans-2-decenoyl-N-acetylcysteamine ...				Bioorg Med Chem 27: 1509-1516 (2019) Article DOI: 10.1016/j.bmc.2019.02.043
					More data for this Ligand-Target Pair