BDBM50537361 CHEMBL4557146

SMILES: Clc1ccccc1\C=C1\SC(=S)N(CC(=O)c2ccccc2)C1=O

InChI Key: InChIKey=XVHBQTUMFYLJMZ-MHWRWJLKSA-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 = 50537361   

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...)	BDBM50537361 (CHEMBL4557146) Show SMILES Clc1ccccc1\C=C1\SC(=S)N(CC(=O)c2ccccc2)C1=O Show InChI InChI=1S/C18H12ClNO2S2/c19-14-9-5-4-8-13(14)10-16-17(22)20(18(23)24-16)11-15(21)12-6-2-1-3-7-12/h1-10H,11H2/b16-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.58E+4	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