BDBM50537362 CHEMBL4548258

SMILES: [O-][N+](=O)c1ccc(\C=C2\SC(=S)N(CC(=O)c3ccccc3)C2=O)cc1

InChI Key: InChIKey=UFXFPVDGPRIHPX-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 = 50537362   

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...)	BDBM50537362 (CHEMBL4548258) Show SMILES [O-][N+](=O)c1ccc(\C=C2\SC(=S)N(CC(=O)c3ccccc3)C2=O)cc1 Show InChI InChI=1S/C18H12N2O4S2/c21-15(13-4-2-1-3-5-13)11-19-17(22)16(26-18(19)25)10-12-6-8-14(9-7-12)20(23)24/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	4.35E+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