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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase PAK 4' and Ligand = 'BDBM50449495'   
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 PAK 4


(Homo sapiens (Human))
BDBM50449495
PNG
(CHEMBL4160587)
Show SMILES OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccccc3)c2c1)c1ccccc1 |r|
Show InChI InChI=1S/C27H22N4O3/c32-16-22(17-7-3-1-4-8-17)31-26(33)19-11-12-21-20(15-19)24(27(34)30-21)23(25-28-13-14-29-25)18-9-5-2-6-10-18/h1-15,22,32H,16H2,(H,28,29)(H,30,34)(H,31,33)/b24-23-/t22-/m1/s1
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Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay


Eur J Med Chem 155: 197-209 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)