BDBM50439151 CHEMBL2418569

SMILES: CCN1\C(S\C(=C/c2ccc(O)cc2)C1=O)=N\c1cccc(c1)C(O)=O

InChI Key: InChIKey=MQMPIRJXQYLFHC-SMFDUERQSA-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 = 50439151   

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)	BDBM50439151 (CHEMBL2418569) Show SMILES CCN1\C(S\C(=C/c2ccc(O)cc2)C1=O)=N\c1cccc(c1)C(O)=O Show InChI InChI=1S/C19H16N2O4S/c1-2-21-17(23)16(10-12-6-8-15(22)9-7-12)26-19(21)20-14-5-3-4-13(11-14)18(24)25/h3-11,22H,2H2,1H3,(H,24,25)/b16-10-,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	101	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