Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Activated CDC42 kinase 1' and Ligand = 'BDBM50459211'   

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))	BDBM50459211 (CHEMBL4214863) Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cn1 Show InChI InChI=1S/C33H34F3N9O2/c1-4-43-12-14-44(15-13-43)28-11-10-26(19-37-28)40-31-38-18-23-20-45(32(47)42(3)29(23)41-31)27-17-25(9-8-21(27)2)39-30(46)22-6-5-7-24(16-22)33(34,35)36/h5-11,16-19H,4,12-15,20H2,1-3H3,(H,39,46)(H,38,40,41)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of ACK1 (unknown origin) by radiometric biochemical kinase assay				J Med Chem 61: 8353-8373 (2018) Article DOI: 10.1021/acs.jmedchem.8b00882 BindingDB Entry DOI: 10.7270/Q2T72M31
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