Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50343426'   

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))	BDBM50343426 (1-(2-Chloro-2-phenylethyl)-6-[(2-morpholin-4-yleth...) Show SMILES CCCNc1nc(SCCN2CCOCC2)nc2n(CC(Cl)c3ccccc3)ncc12 Show InChI InChI=1S/C22H29ClN6OS/c1-2-8-24-20-18-15-25-29(16-19(23)17-6-4-3-5-7-17)21(18)27-22(26-20)31-14-11-28-9-12-30-13-10-28/h3-7,15,19H,2,8-14,16H2,1H3,(H,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of Abl				Bioorg Med Chem Lett 22: 5579-83 (2012) Article DOI: 10.1016/j.bmcl.2012.07.014 BindingDB Entry DOI: 10.7270/Q29P32P7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50343426 (1-(2-Chloro-2-phenylethyl)-6-[(2-morpholin-4-yleth...) Show SMILES CCCNc1nc(SCCN2CCOCC2)nc2n(CC(Cl)c3ccccc3)ncc12 Show InChI InChI=1S/C22H29ClN6OS/c1-2-8-24-20-18-15-25-29(16-19(23)17-6-4-3-5-7-17)21(18)27-22(26-20)31-14-11-28-9-12-30-13-10-28/h3-7,15,19H,2,8-14,16H2,1H3,(H,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Abl by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair