Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Activated CDC42 kinase 1' and Ligand = 'BDBM50245860'   

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))	BDBM50245860 ((R)-4-(3-(2,6-dichlorophenylamino)-6-(phenylamino)...) Show SMILES OC[C@H](O)CCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccccc3)nc12 |r| Show InChI InChI=1S/C21H20Cl2N6O2/c22-16-7-4-8-17(23)18(16)26-19-15-11-24-21(25-13-5-2-1-3-6-13)27-20(15)29(28-19)10-9-14(31)12-30/h1-8,11,14,30-31H,9-10,12H2,(H,26,28)(H,24,25,27)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	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))	BDBM50245860 ((R)-4-(3-(2,6-dichlorophenylamino)-6-(phenylamino)...) Show SMILES OC[C@H](O)CCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccccc3)nc12 |r| Show InChI InChI=1S/C21H20Cl2N6O2/c22-16-7-4-8-17(23)18(16)26-19-15-11-24-21(25-13-5-2-1-3-6-13)27-20(15)29(28-19)10-9-14(31)12-30/h1-8,11,14,30-31H,9-10,12H2,(H,26,28)(H,24,25,27)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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