BDBM50437036 CHEMBL2403069

SMILES: CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)cc1C(O)=O

InChI Key: InChIKey=XQKDYHDILSOXNK-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 = 50437036   

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))	BDBM50437036 (CHEMBL2403069) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)cc1C(O)=O Show InChI InChI=1S/C24H23ClN6O2/c1-30-9-11-31(12-10-30)21-6-5-18(14-19(21)23(32)33)28-24-27-15-20(25)22(29-24)17-4-2-3-16(13-17)7-8-26/h2-6,13-15H,7,9-12H2,1H3,(H,32,33)(H,27,28,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+4	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))	BDBM50437036 (CHEMBL2403069) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)cc1C(O)=O Show InChI InChI=1S/C24H23ClN6O2/c1-30-9-11-31(12-10-30)21-6-5-18(14-19(21)23(32)33)28-24-27-15-20(25)22(29-24)17-4-2-3-16(13-17)7-8-26/h2-6,13-15H,7,9-12H2,1H3,(H,32,33)(H,27,28,29)	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	1.68E+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