Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1 [64-515]' and Ligand = 'BDBM477770'   

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))	BDBM477770 (US10889571, Example 114) Show SMILES CC(C)n1c(nc2cc(cc(-c3cncnc3)c12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1)C1CCOCC1 Show InChI InChI=1S/C27H26ClF2N5O3/c1-16(2)35-24-22(19-13-31-15-32-14-19)11-18(12-23(24)34-25(35)17-7-9-37-10-8-17)26(36)33-20-3-5-21(6-4-20)38-27(28,29)30/h3-6,11-17H,7-10H2,1-2H3,(H,33,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.25	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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