Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'RAC-alpha serine/threonine-protein kinase' and Ligand = 'BDBM50528426'   

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))	BDBM50528426 (CHEMBL4460525) Show SMILES CC(=O)NCC[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,(53.86,-29.77,;52.53,-29,;52.54,-27.46,;51.2,-29.76,;49.87,-28.99,;48.53,-29.75,;47.2,-28.98,;47.21,-27.43,;45.87,-26.67,;44.54,-27.43,;44.53,-28.97,;45.86,-29.74,;43.2,-26.66,;41.87,-27.43,;41.86,-28.97,;40.54,-26.65,;39.12,-27.27,;38.09,-26.13,;38.87,-24.8,;38.25,-23.39,;40.37,-25.12,;36.56,-26.29,;35.79,-27.62,;36.41,-29.03,;34.28,-27.3,;34.12,-25.76,;35.53,-25.14,;35.86,-23.64,;45.87,-25.13,;44.54,-24.36,;44.54,-22.82,;45.87,-22.05,;45.86,-20.51,;47.2,-22.81,;48.54,-22.04,;47.21,-24.36,)| Show InChI InChI=1S/C24H25Cl2F2N5O3/c1-12(34)29-6-5-14-8-15(13-3-4-18(27)19(28)7-13)20(11-30-14)32-24(35)21-9-16(23(26)36-21)22-17(25)10-31-33(22)2/h3-4,7,9-10,14-15,20,30H,5-6,8,11H2,1-2H3,(H,29,34)(H,32,35)/t14-,15+,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	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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