Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'RAC-alpha serine/threonine-protein kinase' and Ligand = 'BDBM50528431'   

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))	BDBM50528431 (CHEMBL4447967) Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CC(O)=O)C[C@H]1c1ccc(Cl)c(Cl)c1 |r,wU:16.17,19.21,wD:25.28,(63.36,-7.24,;63.04,-8.75,;61.63,-9.37,;61.79,-10.9,;63.29,-11.22,;63.92,-12.63,;64.07,-9.89,;65.6,-9.73,;66.63,-10.88,;68.05,-10.26,;67.88,-8.72,;66.38,-8.4,;65.75,-6.99,;69.38,-11.03,;69.37,-12.57,;70.71,-10.26,;72.04,-11.04,;72.04,-12.57,;73.37,-13.35,;74.71,-12.58,;76.04,-13.36,;77.37,-12.59,;78.71,-13.37,;77.38,-11.05,;74.71,-11.04,;73.38,-10.27,;73.38,-8.74,;72.05,-7.97,;72.05,-6.42,;73.38,-5.65,;73.37,-4.11,;74.71,-6.42,;76.04,-5.64,;74.72,-7.97,)| Show InChI InChI=1S/C22H20Cl4N4O4/c1-30-20(16(25)8-28-30)13-7-18(34-21(13)26)22(33)29-17-9-27-11(6-19(31)32)5-12(17)10-2-3-14(23)15(24)4-10/h2-4,7-8,11-12,17,27H,5-6,9H2,1H3,(H,29,33)(H,31,32)/t11-,12-,17+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	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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