Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'RAC-alpha serine/threonine-protein kinase' and Ligand = 'BDBM50528420'   

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))	BDBM50528420 (CHEMBL4554668) Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CC(=O)NCCO)C[C@H]1c1ccc(Cl)c(Cl)c1 |r,wU:16.17,19.21,wD:28.31,(36.28,-40.31,;35.95,-41.82,;34.54,-42.44,;34.7,-43.97,;36.21,-44.29,;36.83,-45.7,;36.98,-42.96,;38.51,-42.8,;39.54,-43.95,;40.96,-43.33,;40.79,-41.8,;39.29,-41.47,;38.67,-40.06,;42.29,-44.1,;42.28,-45.64,;43.62,-43.34,;44.96,-44.11,;44.95,-45.64,;46.28,-46.42,;47.62,-45.65,;48.95,-46.43,;50.29,-45.66,;50.29,-44.12,;51.62,-46.44,;52.95,-45.67,;54.28,-46.45,;55.62,-45.68,;47.63,-44.11,;46.29,-43.34,;46.29,-41.81,;44.96,-41.04,;44.96,-39.5,;46.29,-38.72,;46.28,-37.18,;47.62,-39.49,;48.96,-38.71,;47.63,-41.04,)| Show InChI InChI=1S/C24H25Cl4N5O4/c1-33-22(18(27)10-31-33)15-9-20(37-23(15)28)24(36)32-19-11-30-13(8-21(35)29-4-5-34)7-14(19)12-2-3-16(25)17(26)6-12/h2-3,6,9-10,13-14,19,30,34H,4-5,7-8,11H2,1H3,(H,29,35)(H,32,36)/t13-,14-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	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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