Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Activated CDC42 kinase 1' and Ligand = 'BDBM50459203'   

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))	BDBM50459203 (CHEMBL4207036) Show SMILES CN(C)C1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)N2Cc3cnc(Nc4ccc(C)nc4)nc3N(C)C2=O)C1 Show InChI InChI=1S/C35H38F3N9O2/c1-21-6-10-26(41-32(48)23-8-9-24(29(14-23)35(36,37)38)18-46-13-12-28(20-46)44(3)4)15-30(21)47-19-25-16-40-33(43-31(25)45(5)34(47)49)42-27-11-7-22(2)39-17-27/h6-11,14-17,28H,12-13,18-20H2,1-5H3,(H,41,48)(H,40,42,43)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	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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