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BDBM50437041 CHEMBL2403076

SMILES: CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)cc1-c1nnc(C)o1

InChI Key: InChIKey=LYGWGCZJFVDMES-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50437041   
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
PAK 1/CDC42


(Homo sapiens (Human))		BDBM50437041
PNG
(CHEMBL2403076)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)cc1-c1nnc(C)o1
Show InChI InChI=1S/C26H25ClN8O/c1-17-32-33-25(36-17)21-15-20(6-7-23(21)35-12-10-34(2)11-13-35)30-26-29-16-22(27)24(31-26)19-5-3-4-18(14-19)8-9-28/h3-7,14-16H,8,10-13H2,1-2H3,(H,29,30,31)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.36E+3n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 using MBP as substrate by scintillation counting analysis in presence of [gamma-32P]ATP

Bioorg Med Chem Lett 23: 4072-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.059
BindingDB Entry DOI: 10.7270/Q25M674B
More data for this
Ligand-Target Pair