BDBM50437020 CHEMBL2403062

SMILES: CCOC(=O)c1cccc(c1)-c1nc(Nc2ccc(N3CCN(C)CC3)c(OC)c2)ncc1Cl

InChI Key: InChIKey=ANMMEXVLDZGIOZ-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 = 50437020   

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))	BDBM50437020 (CHEMBL2403062) Show SMILES CCOC(=O)c1cccc(c1)-c1nc(Nc2ccc(N3CCN(C)CC3)c(OC)c2)ncc1Cl Show InChI InChI=1S/C25H28ClN5O3/c1-4-34-24(32)18-7-5-6-17(14-18)23-20(26)16-27-25(29-23)28-19-8-9-21(22(15-19)33-3)31-12-10-30(2)11-13-31/h5-9,14-16H,4,10-13H2,1-3H3,(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	6.64E+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
PAK 1/CDC42 (Homo sapiens (Human))	BDBM50437020 (CHEMBL2403062) Show SMILES CCOC(=O)c1cccc(c1)-c1nc(Nc2ccc(N3CCN(C)CC3)c(OC)c2)ncc1Cl Show InChI InChI=1S/C25H28ClN5O3/c1-4-34-24(32)18-7-5-6-17(14-18)23-20(26)16-27-25(29-23)28-19-8-9-21(22(15-19)33-3)31-12-10-30(2)11-13-31/h5-9,14-16H,4,10-13H2,1-3H3,(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	2.68E+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