Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Activated CDC42 kinase 1' and Ligand = 'BDBM50539621'   

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))	BDBM50539621 (CHEMBL4640316) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3NC(=O)c4ccccc4N(C)c3n2)cc1 Show InChI InChI=1S/C23H25N7O/c1-28-11-13-30(14-12-28)17-9-7-16(8-10-17)25-23-24-15-19-21(27-23)29(2)20-6-4-3-5-18(20)22(31)26-19/h3-10,15H,11-14H2,1-2H3,(H,26,31)(H,24,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of tracer 236 binding to recombinant human GST-tagged TNK2 catalytic domain (110 to 476 residues) expressed in baculovirus expression syst...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126948 BindingDB Entry DOI: 10.7270/Q28G8Q7S
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