Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50215558'   

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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50215558 (4-(bis(2-chloroethyl)amino)-N-(4-methyl-3-(4-(pyri...) Show SMILES Cc1ccc(NC(=O)c2ccc(cc2)N(CCCl)CCCl)cc1Nc1nccc(n1)-c1cccnc1 Show InChI InChI=1S/C27H26Cl2N6O/c1-19-4-7-22(32-26(36)20-5-8-23(9-6-20)35(15-11-28)16-12-29)17-25(19)34-27-31-14-10-24(33-27)21-3-2-13-30-18-21/h2-10,13-14,17-18H,11-12,15-16H2,1H3,(H,32,36)(H,31,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
McGill University/Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of c-Abl				Bioorg Med Chem Lett 17: 4248-53 (2007) Article DOI: 10.1016/j.bmcl.2007.05.067 BindingDB Entry DOI: 10.7270/Q29K49XM
					More data for this Ligand-Target Pair