Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1 [64-515]' and Ligand = 'BDBM222498'   

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
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM222498 (US9315489, 34) Show SMILES COc1ccc(cc1-c1cc[nH]n1)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C18H14F3N3O3/c1-26-16-7-2-11(10-14(16)15-8-9-22-24-15)17(25)23-12-3-5-13(6-4-12)27-18(19,20)21/h2-10H,1H3,(H,22,24)(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...				US Patent US9315489 (2016) BindingDB Entry DOI: 10.7270/Q2H130WD
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