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BDBM50381138 CHEMBL2017739

SMILES: COc1ccnc(Nc2cc(nc(n2)-c2ccccc2)N2CC[C@H](C2)N(C)C)c1

InChI Key: InChIKey=DKYJSXUQQLLXBR-QGZVFWFLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50381138   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381138
PNG
(CHEMBL2017739)
Show SMILES COc1ccnc(Nc2cc(nc(n2)-c2ccccc2)N2CC[C@H](C2)N(C)C)c1 |r|
Show InChI InChI=1S/C22H26N6O/c1-27(2)17-10-12-28(15-17)21-14-20(24-19-13-18(29-3)9-11-23-19)25-22(26-21)16-7-5-4-6-8-16/h4-9,11,13-14,17H,10,12,15H2,1-3H3,(H,23,24,25,26)/t17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.13E+3n/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