Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50468208'   

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 (Mus musculus)	BDBM50468208 (CHEMBL4278812) Show SMILES CC1c2c(c(nn2CC1(C)C)-c1cccc(C)c1C#N)-c1ccc(O)cc1 Show InChI InChI=1S/C23H23N3O/c1-14-6-5-7-18(19(14)12-24)21-20(16-8-10-17(27)11-9-16)22-15(2)23(3,4)13-26(22)25-21/h5-11,15,27H,13H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of mouse ABL expressed in Sf9 insect cells using GGEAIYAAPFKK as substrate in presence of [gamma-33P]ATP				Eur J Med Chem 127: 632-642 (2017) Article DOI: 10.1016/j.ejmech.2017.01.018 BindingDB Entry DOI: 10.7270/Q29Z97MF
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