Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'RAC-alpha serine/threonine-protein kinase' and Ligand = 'BDBM50528419'   

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))	BDBM50528419 (CHEMBL4531735) Show SMILES CC(=O)OCC[C@@H]1C[C@H]([C@@H](CN1)NC(=O)c1cc(c(Cl)o1)-c1c(Cl)cnn1C)c1ccc(F)c(F)c1 |r,wU:9.12,6.5,wD:8.30,(80.83,-29.2,;79.5,-28.42,;79.51,-26.88,;78.16,-29.19,;76.83,-28.41,;75.5,-29.18,;74.16,-28.4,;74.17,-26.86,;72.84,-26.09,;71.5,-26.86,;71.5,-28.39,;72.83,-29.17,;70.17,-26.08,;68.83,-26.85,;68.83,-28.39,;67.5,-26.08,;66.09,-26.7,;65.06,-25.55,;65.83,-24.22,;65.21,-22.81,;67.34,-24.55,;63.52,-25.71,;62.75,-27.04,;63.37,-28.45,;61.25,-26.72,;61.09,-25.19,;62.5,-24.57,;62.82,-23.06,;72.84,-24.56,;71.5,-23.79,;71.51,-22.24,;72.83,-21.47,;72.83,-19.93,;74.17,-22.24,;75.5,-21.46,;74.18,-23.79,)| Show InChI InChI=1S/C24H24Cl2F2N4O4/c1-12(33)35-6-5-14-8-15(13-3-4-18(27)19(28)7-13)20(11-29-14)31-24(34)21-9-16(23(26)36-21)22-17(25)10-30-32(22)2/h3-4,7,9-10,14-15,20,29H,5-6,8,11H2,1-2H3,(H,31,34)/t14-,15+,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40	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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