Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'RAC-alpha serine/threonine-protein kinase' and Ligand = 'BDBM50528469'   

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
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50528469 (CHEMBL4467439) Show SMILES CCC[C@@H]1C[C@H]([C@@H](CN1)NC(=O)c1cc(c(Cl)o1)-c1c(Cl)cnn1C)c1ccc(Cl)c(Cl)c1 |r,wU:6.9,3.2,wD:5.27,(21.58,-13.12,;20.25,-12.34,;18.91,-13.11,;17.58,-12.33,;17.59,-10.79,;16.26,-10.02,;14.92,-10.79,;14.91,-12.32,;16.24,-13.1,;13.59,-10.02,;12.25,-10.78,;12.25,-12.32,;10.92,-10.01,;9.5,-10.63,;8.48,-9.48,;9.25,-8.15,;8.63,-6.74,;10.76,-8.48,;6.94,-9.64,;6.17,-10.97,;6.79,-12.38,;4.66,-10.65,;4.51,-9.12,;5.91,-8.5,;6.24,-6.99,;16.25,-8.49,;14.92,-7.72,;14.92,-6.18,;16.25,-5.4,;16.25,-3.86,;17.59,-6.17,;18.92,-5.39,;17.59,-7.72,)| Show InChI InChI=1S/C23H24Cl4N4O2/c1-3-4-13-8-14(12-5-6-16(24)17(25)7-12)19(11-28-13)30-23(32)20-9-15(22(27)33-20)21-18(26)10-29-31(21)2/h5-7,9-10,13-14,19,28H,3-4,8,11H2,1-2H3,(H,30,32)/t13-,14+,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay				J Med Chem 62: 7264-7288 (2019) Article DOI: 10.1021/acs.jmedchem.9b00891 BindingDB Entry DOI: 10.7270/Q2XW4P7W
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