Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1 [64-515]' and Ligand = 'US20240101536, Example 35'   

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))	US20240101536, Example 35 ((S)—N-(4-(chlorodifluoromethoxy)phenyl)-4-(fl...) Show SMILES FC[C@@H]1COCc2nc3cc(cc(Br)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C19H14BrClF3N3O3/c20-14-5-10(6-15-17(14)27-12(7-22)8-29-9-16(27)26-15)18(28)25-11-1-3-13(4-2-11)30-19(21,23)24/h1-6,12H,7-9H2,(H,25,28)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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