Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Activated CDC42 kinase 1' and Ligand = 'BDBM50245855'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Activated CDC42 kinase 1 (Homo sapiens (Human))	BDBM50245855 (CHEMBL450918 | N3-(2,6-dimethylphenyl)-N6-(3-fluor...) Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCCN4CCCCC4)c(F)c3)nc12 Show InChI InChI=1S/C33H44FN7O2/c1-23-11-9-12-24(2)29(23)37-30-26-22-35-32(38-31(26)41(39-30)19-15-33(3,4)42-5)36-25-13-14-28(27(34)21-25)43-20-10-18-40-16-7-6-8-17-40/h9,11-14,21-22H,6-8,10,15-20H2,1-5H3,(H,37,39)(H,35,36,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of histidine-tagged ACK1 (amino acids 117 to 489) (unknown origin) expressed in SF9 cells				Bioorg Med Chem Lett 18: 6352-6 (2008) Article DOI: 10.1016/j.bmcl.2008.10.092 BindingDB Entry DOI: 10.7270/Q2B56JKZ
					More data for this Ligand-Target Pair
Activated CDC42 kinase 1 (Homo sapiens (Human))	BDBM50245855 (CHEMBL450918 | N3-(2,6-dimethylphenyl)-N6-(3-fluor...) Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCCN4CCCCC4)c(F)c3)nc12 Show InChI InChI=1S/C33H44FN7O2/c1-23-11-9-12-24(2)29(23)37-30-26-22-35-32(38-31(26)41(39-30)19-15-33(3,4)42-5)36-25-13-14-28(27(34)21-25)43-20-10-18-40-16-7-6-8-17-40/h9,11-14,21-22H,6-8,10,15-20H2,1-5H3,(H,37,39)(H,35,36,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of flag-tagged ACK1 (unknown origin) autophosphorylation expressed in human 293 cells				Bioorg Med Chem Lett 18: 6352-6 (2008) Article DOI: 10.1016/j.bmcl.2008.10.092 BindingDB Entry DOI: 10.7270/Q2B56JKZ
					More data for this Ligand-Target Pair