Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1 [64-515]' and Ligand = 'BDBM477730'   

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))	BDBM477730 (US10889571, Example 74) Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cc(-c3cncnc3)c3n(cnc3c2)[C@@H]2CCOC2)cc1 |r| Show InChI InChI=1S/C23H18ClF2N5O3/c24-23(25,26)34-18-3-1-16(2-4-18)30-22(32)14-7-19(15-9-27-12-28-10-15)21-20(8-14)29-13-31(21)17-5-6-33-11-17/h1-4,7-10,12-13,17H,5-6,11H2,(H,30,32)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.320	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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