BDBM50437021 CHEMBL2403061

SMILES: COc1cc(Nc2ncc(Cl)c(n2)-c2cccc(c2)C(=O)NCC#N)ccc1N1CCN(C)CC1

InChI Key: InChIKey=WTANZLLBRSOYBE-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 = 50437021   

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))	BDBM50437021 (CHEMBL2403061) Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cccc(c2)C(=O)NCC#N)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C25H26ClN7O2/c1-32-10-12-33(13-11-32)21-7-6-19(15-22(21)35-2)30-25-29-16-20(26)23(31-25)17-4-3-5-18(14-17)24(34)28-9-8-27/h3-7,14-16H,9-13H2,1-2H3,(H,28,34)(H,29,30,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.79E+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))	BDBM50437021 (CHEMBL2403061) Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cccc(c2)C(=O)NCC#N)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C25H26ClN7O2/c1-32-10-12-33(13-11-32)21-7-6-19(15-22(21)35-2)30-25-29-16-20(26)23(31-25)17-4-3-5-18(14-17)24(34)28-9-8-27/h3-7,14-16H,9-13H2,1-2H3,(H,28,34)(H,29,30,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.14E+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