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SMILES: CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(CCCN)c2n1

InChI Key: InChIKey=BDKKMMXHTHOEBI-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50182295   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50182295
PNG
(CHEMBL3818046)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(CCCN)c2n1
Show InChI InChI=1S/C23H23ClN6O/c1-14-5-3-6-20(28-14)15-7-8-17(19(24)12-15)18-11-16-13-27-23(26-2)29-21(16)30(22(18)31)10-4-9-25/h3,5-8,11-13H,4,9-10,25H2,1-2H3,(H,26,27,29)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
 3.30n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...

J Med Chem 59: 5520-41 (2016)


BindingDB Entry DOI: 10.7270/Q23X88KT
More data for this
Ligand-Target Pair