Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50490914'   

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 (Homo sapiens (Human))	BDBM50490914 (CHEMBL2347744) Show SMILES CCNC(=O)Nc1nc2ccc(cc2[nH]1)-c1c(C)cccc1C Show InChI InChI=1S/C18H20N4O/c1-4-19-18(23)22-17-20-14-9-8-13(10-15(14)21-17)16-11(2)6-5-7-12(16)3/h5-10H,4H2,1-3H3,(H3,19,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of breakpoint cluster region-Abelson tyrosine kinase T315I mutant (unknown origin) using [gamma-33P]ATP as substrate by radiometric kinase...				J Med Chem 56: 3531-45 (2013) Article DOI: 10.1021/jm301891t BindingDB Entry DOI: 10.7270/Q2BG2RW2
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