Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Activated CDC42 kinase 1' and Ligand = 'BDBM50539616'   

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))	BDBM50539616 (CHEMBL4640243) Show SMILES COc1cc(ccc1Nc1ncc2NC(=O)c3cc(F)ccc3N(C)c2n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H26FN7O2/c1-30-8-10-32(11-9-30)16-5-6-18(21(13-16)34-3)28-24-26-14-19-22(29-24)31(2)20-7-4-15(25)12-17(20)23(33)27-19/h4-7,12-14H,8-11H2,1-3H3,(H,27,33)(H,26,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	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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