BDBM50466477 CHEMBL4294511

SMILES: COc1ccc(NC(=S)N\N=C\c2ccc(cc2)[N+]([O-])=O)cc1

InChI Key: InChIKey=AVECWCZLFGZKPE-MHWRWJLKSA-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 = 50466477   

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
Probable low molecular weight protein-tyrosine-phosphatase (Mycobacterium tuberculosis)	BDBM50466477 (CHEMBL4294511) Show SMILES COc1ccc(NC(=S)N\N=C\c2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C15H14N4O3S/c1-22-14-8-4-12(5-9-14)17-15(23)18-16-10-11-2-6-13(7-3-11)19(20)21/h2-10H,1H3,(H2,17,18,23)/b16-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Catarina Curated by ChEMBL					Assay Description Inhibition of recombinant Mycobacterium tuberculosis PtpA using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate a...				Bioorg Med Chem 26: 5742-5750 (2018) Article DOI: 10.1016/j.bmc.2018.10.030 BindingDB Entry DOI: 10.7270/Q26T0QBX
					More data for this Ligand-Target Pair