BDBM50537355 CHEMBL4517154

SMILES: COc1ccc(cc1)C(=O)CN1C(=S)S\C(=C\c2ccccc2OC)C1=O

InChI Key: InChIKey=BWBVDAJARYXERW-WOJGMQOQSA-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 = 50537355   

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...)	BDBM50537355 (CHEMBL4517154) Show SMILES COc1ccc(cc1)C(=O)CN1C(=S)S\C(=C\c2ccccc2OC)C1=O Show InChI InChI=1S/C20H17NO4S2/c1-24-15-9-7-13(8-10-15)16(22)12-21-19(23)18(27-20(21)26)11-14-5-3-4-6-17(14)25-2/h3-11H,12H2,1-2H3/b18-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.68E+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