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BDBM50381122 CHEMBL2017723

SMILES: C(Nc1nccc(Nc2cc(n[nH]2)C2CC2)n1)c1ccccc1

InChI Key: InChIKey=OIMKFLPRSBFHMX-UHFFFAOYSA-N

Data: 1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50381122   
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)
BDBM50381122
PNG
(CHEMBL2017723)
Show SMILES C(Nc1nccc(Nc2cc(n[nH]2)C2CC2)n1)c1ccccc1
Show InChI InChI=1S/C17H18N6/c1-2-4-12(5-3-1)11-19-17-18-9-8-15(21-17)20-16-10-14(22-23-16)13-6-7-13/h1-5,8-10,13H,6-7,11H2,(H3,18,19,20,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 715n/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