new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase pknB' and Ligand = 'BDBM50381113'   
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)
BDBM50381113
PNG
(CHEMBL2017713)
Show SMILES C(Nc1nc(Nc2cc(n[nH]2)C2CC2)c2ccccc2n1)C1CC1
Show InChI InChI=1S/C18H20N6/c1-2-4-14-13(3-1)17(22-18(20-14)19-10-11-5-6-11)21-16-9-15(23-24-16)12-7-8-12/h1-4,9,11-12H,5-8,10H2,(H3,19,20,21,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 428n/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