Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'RAC-alpha serine/threonine-protein kinase' and Ligand = 'BDBM50528458'   

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))	BDBM50528458 (CHEMBL4465572) Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)NC1CNCCC1c1ccc(F)c(F)c1 |r,wD:1.0,2.2,(45.48,-28.24,;45.48,-26.7,;44.14,-25.93,;44.14,-24.39,;42.8,-26.7,;41.47,-25.93,;42.8,-28.24,;46.81,-25.93,;48.14,-26.7,;46.81,-24.39,;28.5,-19.99,;28.18,-21.5,;26.77,-22.12,;26.93,-23.65,;28.43,-23.98,;29.05,-25.38,;29.21,-22.64,;30.74,-22.49,;31.77,-23.64,;33.17,-23.01,;33.02,-21.48,;31.51,-21.16,;30.89,-19.75,;34.5,-23.79,;34.5,-25.33,;35.84,-23.02,;37.17,-23.8,;37.16,-25.33,;38.49,-26.11,;39.83,-25.34,;39.84,-23.79,;38.51,-23.03,;38.51,-21.49,;37.18,-20.72,;37.18,-19.18,;38.51,-18.41,;38.5,-16.87,;39.84,-19.17,;41.17,-18.4,;39.85,-20.72,)| Show InChI InChI=1S/C20H18Cl2F2N4O2.C4H6O6/c1-28-18(13(21)8-26-28)12-7-17(30-19(12)22)20(29)27-16-9-25-5-4-11(16)10-2-3-14(23)15(24)6-10;5-1(3(7)8)2(6)4(9)10/h2-3,6-8,11,16,25H,4-5,9H2,1H3,(H,27,29);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40	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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