BDBM50439148 CHEMBL2418551

SMILES: CC(C)N1\C(S\C(=C/c2ccc(O)cc2)C1=O)=N\c1cccc(c1)C(O)=O

InChI Key: InChIKey=BTMRERAPWFENQH-VGGFPCPZSA-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 = 50439148   

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)	BDBM50439148 (CHEMBL2418551) Show SMILES CC(C)N1\C(S\C(=C/c2ccc(O)cc2)C1=O)=N\c1cccc(c1)C(O)=O Show InChI InChI=1S/C20H18N2O4S/c1-12(2)22-18(24)17(10-13-6-8-16(23)9-7-13)27-20(22)21-15-5-3-4-14(11-15)19(25)26/h3-12,23H,1-2H3,(H,25,26)/b17-10-,21-20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	141	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