Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50247766'   

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))	BDBM50247766 ((E)-N-(4-(Morpholin-4-yl)phenyl)-3-(5-((Z)-3-oxo-3...) Show SMILES O=C(Nc1ccc(cc1)N1CCOCC1)\C=C\c1ccc(\C=C2/Oc3ccccc3NC2=O)s1 Show InChI InChI=1S/C26H23N3O4S/c30-25(27-18-5-7-19(8-6-18)29-13-15-32-16-14-29)12-11-20-9-10-21(34-20)17-24-26(31)28-22-3-1-2-4-23(22)33-24/h1-12,17H,13-16H2,(H,27,30)(H,28,31)/b12-11+,24-17-	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	290	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of ABL (unknown origin) expressed in baculovirus system by ELISA				Bioorg Med Chem 17: 699-708 (2009) Article DOI: 10.1016/j.bmc.2008.11.060 BindingDB Entry DOI: 10.7270/Q27M07TN
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