BDBM50439145 CHEMBL2418514

SMILES: COc1ccccc1\C=C1/S\C(=N/c2cccc(c2)C(O)=O)N(C)C1=O

InChI Key: InChIKey=JUQZSVKJWFINEH-CMLHKUKGSA-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 = 50439145   

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
O-acetylserine sulfhydrylase (Mycobacterium tuberculosis)	BDBM50439145 (CHEMBL2418514) Show SMILES COc1ccccc1\C=C1/S\C(=N/c2cccc(c2)C(O)=O)N(C)C1=O Show InChI InChI=1S/C19H16N2O4S/c1-21-17(22)16(11-12-6-3-4-9-15(12)25-2)26-19(21)20-14-8-5-7-13(10-14)18(23)24/h3-11H,1-2H3,(H,23,24)/b16-11-,20-19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis N-terminal His-6-tagged recombinant CysK1 expressed in Escherichia coli BL21 (DE3) after 20 mins by spectrop...				J Med Chem 56: 6457-66 (2013) Article DOI: 10.1021/jm400710k BindingDB Entry DOI: 10.7270/Q2GB25GH
					More data for this Ligand-Target Pair