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 = 'BDBM50260032'   

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))	BDBM50260032 (CHEMBL4064078) Show SMILES CCc1cc(CN2CCN(C)CC2)cc(NC(=O)c2ccc3C(C)CN(Cc3c2)c2cncnc2)c1 Show InChI InChI=1S/C29H36N6O/c1-4-22-11-23(18-34-9-7-33(3)8-10-34)13-26(12-22)32-29(36)24-5-6-28-21(2)17-35(19-25(28)14-24)27-15-30-20-31-16-27/h5-6,11-16,20-21H,4,7-10,17-19H2,1-3H3,(H,32,36)	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
					More data for this Ligand-Target Pair