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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase pknB' and Ligand = 'BDBM50381131'   
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
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381131
PNG
(CHEMBL2017732)
Show SMILES CN(C)[C@@H]1CCN(C1)c1cc(Nc2cc(n[nH]2)C2CC2)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C22H27N7/c1-28(2)17-10-11-29(14-17)21-13-19(23-20-12-18(26-27-20)15-8-9-15)24-22(25-21)16-6-4-3-5-7-16/h3-7,12-13,15,17H,8-11,14H2,1-2H3,(H2,23,24,25,26,27)/t17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 53n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair