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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 383.4
BDBM50467121

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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
cGMP-dependent protein kinase


(Plasmodium falciparum)
BDBM50467121
PNG
(CHEMBL4282026)
Show SMILES CNc1nccc(n1)-c1sc(nc1-c1ccc(F)cc1)C1CCN(C)CC1
Show InChI InChI=1S/C20H22FN5S/c1-22-20-23-10-7-16(24-20)18-17(13-3-5-15(21)6-4-13)25-19(27-18)14-8-11-26(2)12-9-14/h3-7,10,14H,8-9,11-12H2,1-2H3,(H,22,23,24)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



LifeArc

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum protein kinase G


Bioorg Med Chem Lett 28: 3168-3173 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.028
BindingDB Entry DOI: 10.7270/Q21Z473B
More data for this
Ligand-Target Pair