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 = 'BDBM50155557'   

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))	BDBM50155557 (1-(4-Diethylamino-phenyl)-3-[4-methyl-3-(4-pyridin...) Show SMILES CCN(CC)c1ccc(NC(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1 Show InChI InChI=1S/C27H29N7O/c1-4-34(5-2)23-12-10-21(11-13-23)30-27(35)31-22-9-8-19(3)25(17-22)33-26-29-16-14-24(32-26)20-7-6-15-28-18-20/h6-18H,4-5H2,1-3H3,(H,29,32,33)(H2,30,31,35)	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	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The First People's Hospital of Hangzhou Curated by ChEMBL					Assay Description Inhibition of BCR-ABL kinase (unknown origin)				Bioorg Med Chem Lett 23: 2442-50 (2013) Article DOI: 10.1016/j.bmcl.2013.01.113 BindingDB Entry DOI: 10.7270/Q2ZG6TMD
					More data for this Ligand-Target Pair