Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50142880'   

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))	BDBM50142880 (1-(2-chloro-2-phenylethyl)-6-(methylthio)-N-phenet...) Show SMILES CSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/C22H22ClN5S/c1-29-22-26-20(24-13-12-16-8-4-2-5-9-16)18-14-25-28(21(18)27-22)15-19(23)17-10-6-3-7-11-17/h2-11,14,19H,12-13,15H2,1H3,(H,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant Abl				Eur J Med Chem 44: 3712-7 (2009) Article DOI: 10.1016/j.ejmech.2009.03.039 BindingDB Entry DOI: 10.7270/Q2SF2W6F
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50142880 (1-(2-chloro-2-phenylethyl)-6-(methylthio)-N-phenet...) Show SMILES CSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/C22H22ClN5S/c1-29-22-26-20(24-13-12-16-8-4-2-5-9-16)18-14-25-28(21(18)27-22)15-19(23)17-10-6-3-7-11-17/h2-11,14,19H,12-13,15H2,1H3,(H,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30E+3	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 human recombinant Abl using Abtide peptide substrate in presence of [gamma-32P]-ATP				Bioorg Med Chem Lett 21: 5928-33 (2011) Article DOI: 10.1016/j.bmcl.2011.07.079 BindingDB Entry DOI: 10.7270/Q29G5N6P
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50142880 (1-(2-chloro-2-phenylethyl)-6-(methylthio)-N-phenet...) Show SMILES CSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/C22H22ClN5S/c1-29-22-26-20(24-13-12-16-8-4-2-5-9-16)18-14-25-28(21(18)27-22)15-19(23)17-10-6-3-7-11-17/h2-11,14,19H,12-13,15H2,1H3,(H,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Genova Curated by ChEMBL					Assay Description Inhibition of human recombinant Abl by filter-binding assay				Eur J Med Chem 43: 2665-76 (2008) Article DOI: 10.1016/j.ejmech.2008.01.034 BindingDB Entry DOI: 10.7270/Q23J3CS2
					More data for this Ligand-Target Pair