BDBM50437032 CHEMBL2403073

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

InChI Key: InChIKey=MEOWYSKGQKBNMJ-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 = 50437032   

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))	BDBM50437032 (CHEMBL2403073) Show SMILES CCN(CC)C(=O)c1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C28H32ClN7O/c1-4-35(5-2)27(37)23-18-22(9-10-25(23)36-15-13-34(3)14-16-36)32-28-31-19-24(29)26(33-28)21-8-6-7-20(17-21)11-12-30/h6-10,17-19H,4-5,11,13-16H2,1-3H3,(H,31,32,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.01E+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))	BDBM50437032 (CHEMBL2403073) Show SMILES CCN(CC)C(=O)c1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C28H32ClN7O/c1-4-35(5-2)27(37)23-18-22(9-10-25(23)36-15-13-34(3)14-16-36)32-28-31-19-24(29)26(33-28)21-8-6-7-20(17-21)11-12-30/h6-10,17-19H,4-5,11,13-16H2,1-3H3,(H,31,32,33)	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	5.01E+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