Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50257156'   

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))	BDBM50257156 ((E)-5-(3-(hydroxyamino)-3-oxoprop-1-enyl)-N-(3-(4-...) Show SMILES ONC(=O)\C=C\c1ccc(s1)C(=O)Nc1cccc(Nc2ncc(s2)-c2cccnc2)c1 Show InChI InChI=1S/C22H17N5O3S2/c28-20(27-30)9-7-17-6-8-18(31-17)21(29)25-15-4-1-5-16(11-15)26-22-24-13-19(32-22)14-3-2-10-23-12-14/h1-13,30H,(H,24,26)(H,25,29)(H,27,28)/b9-7+	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	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of wild-type c-Abl (unknown origin) by liquid scintillation counting				J Med Chem 52: 2265-79 (2009) Article DOI: 10.1021/jm800988r BindingDB Entry DOI: 10.7270/Q2NS0TSP
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