Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1 [64-515]' and Ligand = 'BDBM477667'   

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))	BDBM477667 (US10889571, Example 9) Show SMILES COc1nc2cc(cc(-c3cncnc3)c2n1C(C)C)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 Show InChI InChI=1S/C23H20ClF2N5O3/c1-13(2)31-20-18(15-10-27-12-28-11-15)8-14(9-19(20)30-22(31)33-3)21(32)29-16-4-6-17(7-5-16)34-23(24,25)26/h4-13H,1-3H3,(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
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