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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'PAK1' and Ligand = 'BDBM50201648'   
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
PAK1


(Homo sapiens (Human))
BDBM50201648
PNG
(CHEMBL3950903)
Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2F)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C32H36F2N6O3S/c1-4-44(42,43)30-18-25(11-12-28(30)39-15-13-38(3)14-16-39)36-32-35-19-27(34)31(37-32)40(20-24-7-5-6-8-26(24)33)29-17-23(21-41)10-9-22(29)2/h5-12,17-19,41H,4,13-16,20-21H2,1-3H3,(H,35,36,37)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.350n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay


ACS Med Chem Lett 7: 1118-1123 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50201648
PNG
(CHEMBL3950903)
Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2F)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C32H36F2N6O3S/c1-4-44(42,43)30-18-25(11-12-28(30)39-15-13-38(3)14-16-39)36-32-35-19-27(34)31(37-32)40(20-24-7-5-6-8-26(24)33)29-17-23(21-41)10-9-22(29)2/h5-12,17-19,41H,4,13-16,20-21H2,1-3H3,(H,35,36,37)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PAK1 phosphorylation in human MCF10A cells


ACS Med Chem Lett 7: 1118-1123 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH
More data for this
Ligand-Target Pair