Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Activated CDC42 kinase 1' and Ligand = 'BDBM50246261'   

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))	BDBM50246261 (CHEMBL487054 | N3-(2,6-dichlorophenyl)-1-(3-(dimet...) Show SMILES CN(C)CCCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccccc3)nc12 Show InChI InChI=1S/C22H23Cl2N7/c1-30(2)12-7-13-31-21-16(14-25-22(28-21)26-15-8-4-3-5-9-15)20(29-31)27-19-17(23)10-6-11-18(19)24/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,27,29)(H,25,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5	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))	BDBM50246261 (CHEMBL487054 | N3-(2,6-dichlorophenyl)-1-(3-(dimet...) Show SMILES CN(C)CCCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccccc3)nc12 Show InChI InChI=1S/C22H23Cl2N7/c1-30(2)12-7-13-31-21-16(14-25-22(28-21)26-15-8-4-3-5-9-15)20(29-31)27-19-17(23)10-6-11-18(19)24/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,27,29)(H,25,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	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