Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1 [64-515]' and Ligand = 'BDBM661042'   

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))	BDBM661042 (US20240101536, Example 2) Show SMILES OC1CC(C1)n1cnc2cc(cc(-c3cncnc3)c12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |(-1.89,9.09,;-1.42,7.62,;-2.12,6.25,;-.74,5.55,;-.04,6.93,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;2.53,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;2.53,5.92,;1.2,6.69,;1.2,8.23,;2.53,9,;3.86,8.23,;3.86,6.69,;1.2,3.61,;5.2,1.3,;5.2,-.24,;6.53,2.07,;7.87,1.3,;7.87,-.24,;9.2,-1.01,;10.53,-.24,;11.87,-1.01,;13.2,-.24,;12.43,1.1,;13.97,-1.57,;14.53,.53,;10.53,1.3,;9.2,2.07,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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