BDBM50437035 CHEMBL2403070

SMILES: CCOC(=O)c1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1

InChI Key: InChIKey=MRYXWSRMKBRWDF-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 = 50437035   

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))	BDBM50437035 (CHEMBL2403070) Show SMILES CCOC(=O)c1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C26H27ClN6O2/c1-3-35-25(34)21-16-20(7-8-23(21)33-13-11-32(2)12-14-33)30-26-29-17-22(27)24(31-26)19-6-4-5-18(15-19)9-10-28/h4-8,15-17H,3,9,11-14H2,1-2H3,(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	289	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))	BDBM50437035 (CHEMBL2403070) Show SMILES CCOC(=O)c1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C26H27ClN6O2/c1-3-35-25(34)21-16-20(7-8-23(21)33-13-11-32(2)12-14-33)30-26-29-17-22(27)24(31-26)19-6-4-5-18(15-19)9-10-28/h4-8,15-17H,3,9,11-14H2,1-2H3,(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	1.09E+4	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