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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 = 'BDBM50096241'   
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))
BDBM50096241
PNG
(CHEMBL3594182)
Show SMILES CN(C[C@H]1CC[C@H](N)CC1)c1nccc(Nc2cc([nH]n2)C2C(=O)N(C)CC2(C)C)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,;5.14,-7.26,;5.98,-6.36,;5.43,-8.77,;6.54,-9.3,;4.08,-9.51,;2.96,-8.46,;2.17,-7.51,;2.56,-9.62,;-1.33,-.77,)|
Show InChI InChI=1S/C39H51N5O5/c1-4-25(3)34-39(49)44-23-15-14-22-33(44)38(48)41-31(21-11-7-10-18-27(45)5-2)36(46)42-32(37(47)43-34)24-29-28-19-12-13-20-30(28)40-35(29)26-16-8-6-9-17-26/h6,8-9,12-13,16-17,19-20,25,31-34,40H,4-5,7,10-11,14-15,18,21-24H2,1-3H3,(H,41,48)(H,42,46)(H,43,47)/t25?,31-,32-,33+,34-/m0/s1
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Similars

Article
PubMed
>2.90E+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