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 = 'BDBM50260039'   

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))	BDBM50260039 (CHEMBL4069922) Show SMILES CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCCC2)cc(c1)C(F)(F)F)c1cncnc1 Show InChI InChI=1S/C27H28F3N5O/c1-18-14-35(24-12-31-17-32-13-24)16-21-10-20(4-5-25(18)21)26(36)33-23-9-19(15-34-6-2-3-7-34)8-22(11-23)27(28,29)30/h4-5,8-13,17-18H,2-3,6-7,14-16H2,1H3,(H,33,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length His-tagged Bcr-Abl fusion protein cytoplasmic domain expressed in baculovirus expression system using tyr...				ACS Med Chem Lett 8: 327-332 (2017) Article DOI: 10.1021/acsmedchemlett.6b00497 BindingDB Entry DOI: 10.7270/Q2N0190M
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