Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'AP2-associated protein kinase 1' and Ligand = 'BDBM493064'   

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
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM493064 ((S)—N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-c...) Show SMILES CC(C)C[C@@H](COc1ccc(Br)cc1Cl)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C17H25BrClNO3/c1-11(2)8-13(20-16(21)23-17(3,4)5)10-22-15-7-6-12(18)9-14(15)19/h6-7,9,11,13H,8,10H2,1-5H3,(H,20,21)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US10981910 (2021) BindingDB Entry DOI: 10.7270/Q2CF9T6J
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