Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50428741'   

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))	BDBM50428741 (CHEMBL2333602) Show SMILES CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1cc(ccc1C)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C26H25N7O2/c1-4-5-11-32-21(14-33-22-23(28-25(32)33)31(3)26(35)29-24(22)34)18-12-16(10-9-15(18)2)17-7-6-8-20-19(17)13-27-30-20/h6-10,12-14H,4-5,11H2,1-3H3,(H,27,30)(H,29,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	203	n/a	n/a	n/a	n/a	n/a	n/a
University of Zurich Curated by ChEMBL					Assay Description Inhibition of Abl (unknown origin) using [gamma-33P]ATP after 30 mins by radiometric assay				J Med Chem 56: 84-96 (2013) Article DOI: 10.1021/jm301187e BindingDB Entry DOI: 10.7270/Q2WW7K1S
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