Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Activated CDC42 kinase 1' and Ligand = 'BDBM50459220'   

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))	BDBM50459220 (CHEMBL4203337) Show SMILES CCN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C30H28F3N7O2/c1-5-39-26-21(14-35-28(38-26)37-23-11-8-19(4)34-15-23)16-40(29(39)42)25-13-22(10-7-18(25)3)36-27(41)20-9-6-17(2)24(12-20)30(31,32)33/h6-15H,5,16H2,1-4H3,(H,36,41)(H,35,37,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	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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