Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Breakpoint cluster region protein/Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50131213'   

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
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131213 (CHEMBL3632643) Show SMILES COc1cc(OC)cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2[nH]nc(N)c12 Show InChI InChI=1S/C27H27N5O4/c1-35-20-14-19(15-21(16-20)36-2)27(34)32-12-10-31(11-13-32)26(33)18-8-6-17(7-9-18)22-4-3-5-23-24(22)25(28)30-29-23/h3-9,14-16H,10-13H2,1-2H3,(H3,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl T315I mutant (unknown origin) by ADP-Glo assay				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
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