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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 = 'BDBM50096238'   
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))
BDBM50096238
PNG
(CHEMBL3594179)
Show SMILES CN(C[C@H]1CC[C@H](N)CC1)c1nccc(Nc2cc([nH]n2)C2CCCN(C)C2=O)n1 |r,wU:3.2,wD:6.6,(-2.67,2.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;0,-3.08,;1.34,-3.85,;1.49,-5.37,;2.99,-5.68,;3.76,-4.35,;2.72,-3.21,;3.62,-7.09,;5.17,-7.12,;5.9,-8.48,;5.1,-9.79,;3.56,-9.75,;2.91,-10.8,;2.82,-8.4,;1.59,-8.37,;-1.33,-.77,)|
Show InChI InChI=1S/C33H45N5O6/c1-4-20(3)27-33(44)38-18-12-11-17-26(38)31(42)35-25(16-8-6-7-13-21(39)5-2)30(41)37-28(32(43)36-27)23-19-34-24-15-10-9-14-22(24)29(23)40/h9-10,14-15,19-20,25-28H,4-8,11-13,16-18H2,1-3H3,(H,34,40)(H,35,42)(H,36,43)(H,37,41)/t20?,25-,26+,27-,28-/m0/s1
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MMDB

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Article
PubMed
2.49E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PAK4 (unknown origin)


ACS Med Chem Lett 6: 711-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00151
BindingDB Entry DOI: 10.7270/Q24J0GWT
More data for this
Ligand-Target Pair