Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Activated CDC42 kinase 1' and Ligand = 'BDBM50539626'   

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))	BDBM50539626 (CHEMBL4642708) Show SMILES CCOc1cc(Nc2ncc3NC(=O)c4ccccc4N(C)c3n2)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C25H29N7O2/c1-4-34-22-15-17(9-10-21(22)32-13-11-30(2)12-14-32)27-25-26-16-19-23(29-25)31(3)20-8-6-5-7-18(20)24(33)28-19/h5-10,15-16H,4,11-14H2,1-3H3,(H,28,33)(H,26,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	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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