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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase PAK 4' and Ligand = 'BDBM50251104'   
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))
BDBM50251104
PNG
(CHEMBL4091048)
Show SMILES Cc1cc(Nc2nc(nc3ccc(Cl)cc23)N2CCC(N)CC2)n[nH]1
Show InChI InChI=1S/C17H20ClN7/c1-10-8-15(24-23-10)21-16-13-9-11(18)2-3-14(13)20-17(22-16)25-6-4-12(19)5-7-25/h2-3,8-9,12H,4-7,19H2,1H3,(H2,20,21,22,23,24)
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PC cid
PC sid
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Similars

Article
PubMed
99n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50251104
PNG
(CHEMBL4091048)
Show SMILES Cc1cc(Nc2nc(nc3ccc(Cl)cc23)N2CCC(N)CC2)n[nH]1
Show InChI InChI=1S/C17H20ClN7/c1-10-8-15(24-23-10)21-16-13-9-11(18)2-3-14(13)20-17(22-16)25-6-4-12(19)5-7-25/h2-3,8-9,12H,4-7,19H2,1H3,(H2,20,21,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 43n/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to biotin-labeled human truncated PAK4 kinase domain by surface plasmon resonance assay


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair