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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'TYR_PHOSPHATASE_2 domain-containing protein' and Ligand = 'BDBM50450008'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)		BDBM50450008
PNG
(CHEMBL4166077)
Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)ccc2o1
Show InChI InChI=1S/C23H14Cl3N3O5S3/c24-17-7-6-16(12-18(17)25)36(30,31)29-15-5-8-20-19(11-15)27-23(34-20)13-1-3-14(4-2-13)28-37(32,33)22-10-9-21(26)35-22/h1-12,28-29H
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis His-tagged PtpB expressed in Escherichia coli Rosetta 2 (DE3) using pNPP as substrate after 30 mins by spect...

Bioorg Med Chem Lett 29: 1665-1672 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.034
BindingDB Entry DOI: 10.7270/Q2MG7SWV
More data for this
Ligand-Target Pair