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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'PAK1' and Ligand = 'BDBM50201643'   
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))
BDBM50201643
PNG
(CHEMBL3935195)
Show SMILES CN(c1cc(CO)c(C)cc1C)c1nc(Nc2ccc(cc2)N2CCN(C)CC2)ncc1F
Show InChI InChI=1S/C25H31FN6O/c1-17-13-18(2)23(14-19(17)16-33)31(4)24-22(26)15-27-25(29-24)28-20-5-7-21(8-6-20)32-11-9-30(3)10-12-32/h5-8,13-15,33H,9-12,16H2,1-4H3,(H,27,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 33n/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))
BDBM50201643
PNG
(CHEMBL3935195)
Show SMILES CN(c1cc(CO)c(C)cc1C)c1nc(Nc2ccc(cc2)N2CCN(C)CC2)ncc1F
Show InChI InChI=1S/C25H31FN6O/c1-17-13-18(2)23(14-19(17)16-33)31(4)24-22(26)15-27-25(29-24)28-20-5-7-21(8-6-20)32-11-9-30(3)10-12-32/h5-8,13-15,33H,9-12,16H2,1-4H3,(H,27,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.10E+3n/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