Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'RAC-alpha serine/threonine-protein kinase' and Ligand = 'BDBM50528429'   

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))	BDBM50528429 (CHEMBL4475923) Show SMILES CNC(=O)C[C@@H]1C[C@H]([C@@H](CN1)NC(=O)c1cc(c(Cl)o1)-c1c(Cl)cnn1C)c1ccc(Cl)c(Cl)c1 |r,wU:8.11,5.4,wD:7.29,(50.5,-29.31,;49.16,-30.08,;47.83,-29.31,;47.83,-27.77,;46.49,-30.07,;45.16,-29.3,;45.17,-27.75,;43.84,-26.98,;42.5,-27.75,;42.49,-29.29,;43.82,-30.06,;41.17,-26.98,;39.83,-27.74,;39.83,-29.28,;38.5,-26.97,;37.08,-27.59,;36.06,-26.45,;36.83,-25.12,;36.21,-23.71,;38.34,-25.44,;34.52,-26.61,;33.75,-27.94,;34.37,-29.35,;32.24,-27.61,;32.09,-26.08,;33.49,-25.46,;33.82,-23.95,;43.83,-25.45,;42.5,-24.68,;42.5,-23.14,;43.83,-22.37,;43.83,-20.83,;45.17,-23.13,;46.5,-22.36,;45.17,-24.68,)| Show InChI InChI=1S/C23H23Cl4N5O3/c1-28-20(33)7-12-6-13(11-3-4-15(24)16(25)5-11)18(10-29-12)31-23(34)19-8-14(22(27)35-19)21-17(26)9-30-32(21)2/h3-5,8-9,12-13,18,29H,6-7,10H2,1-2H3,(H,28,33)(H,31,34)/t12-,13-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	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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