Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1 [64-515]' and Ligand = 'BDBM222493'   

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))	BDBM222493 (US9315489, 29) Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2ccc(Cl)c(c2)-c2cc[nH]n2)cc1 Show InChI InChI=1S/C17H11ClF3N3O2/c18-14-6-1-10(9-13(14)15-7-8-22-24-15)16(25)23-11-2-4-12(5-3-11)26-17(19,20)21/h1-9H,(H,22,24)(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	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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