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 = 'BDBM50433237'   

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))	BDBM50433237 (CHEMBL2375971) Show SMILES COc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1ccc(OCCCN(C)C)cc1 Show InChI InChI=1S/C28H30N6O3/c1-34(2)16-5-17-37-23-10-8-22(9-11-23)31-27(35)20-7-12-26(36-3)25(18-20)33-28-30-15-13-24(32-28)21-6-4-14-29-19-21/h4,6-15,18-19H,5,16-17H2,1-3H3,(H,31,35)(H,30,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl kinase (unknown origin) after 30 mins by HTRF assay				Bioorg Med Chem 21: 2527-34 (2013) Article DOI: 10.1016/j.bmc.2013.02.036 BindingDB Entry DOI: 10.7270/Q2VH5Q6T
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