BDBM50439138 CHEMBL2418558

SMILES: CN1C(=O)\C(S\C1=N/c1cccc(c1)C(O)=O)=C\c1ccccc1OCC(O)=O

InChI Key: InChIKey=ZRWLYRDALGQUID-PTWQKYQPSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50439138   

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)	BDBM50439138 (CHEMBL2418558) Show SMILES CN1C(=O)\C(S\C1=N/c1cccc(c1)C(O)=O)=C\c1ccccc1OCC(O)=O Show InChI InChI=1S/C20H16N2O6S/c1-22-18(25)16(10-12-5-2-3-8-15(12)28-11-17(23)24)29-20(22)21-14-7-4-6-13(9-14)19(26)27/h2-10H,11H2,1H3,(H,23,24)(H,26,27)/b16-10-,21-20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis CysK1				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				3D Structure (crystal)