BDBM50437037 CHEMBL2403068

SMILES: COCCOc1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1

InChI Key: InChIKey=KCKDYWFERPXFNA-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50437037   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
PAK 1/CDC42 (Homo sapiens (Human))	BDBM50437037 (CHEMBL2403068) Show SMILES COCCOc1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C26H29ClN6O2/c1-32-10-12-33(13-11-32)23-7-6-21(17-24(23)35-15-14-34-2)30-26-29-18-22(27)25(31-26)20-5-3-4-19(16-20)8-9-28/h3-7,16-18H,8,10-15H2,1-2H3,(H,29,30,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.88E+3	n/a	n/a	n/a	n/a	n/a	n/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
PAK 1/CDC42 (Homo sapiens (Human))	BDBM50437037 (CHEMBL2403068) Show SMILES COCCOc1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C26H29ClN6O2/c1-32-10-12-33(13-11-32)23-7-6-21(17-24(23)35-15-14-34-2)30-26-29-18-22(27)25(31-26)20-5-3-4-19(16-20)8-9-28/h3-7,16-18H,8,10-15H2,1-2H3,(H,29,30,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.14E+3	n/a	n/a	n/a	n/a
Astex Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of PAK1 in human OVCAR3 cells assessed as MEK phosphorylation by TR-FRET assay				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