Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50257117'   

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))	BDBM50257117 (CHEMBL515109 | N2-(2-aminophenyl)-N5-(4-methyl-3-(...) Show SMILES Cc1ccc(NC(=O)c2ccc(s2)C(=O)Nc2ccccc2N)cc1Nc1ncc(s1)-c1cccnc1 Show InChI InChI=1S/C27H22N6O2S2/c1-16-8-9-18(13-21(16)33-27-30-15-24(37-27)17-5-4-12-29-14-17)31-25(34)22-10-11-23(36-22)26(35)32-20-7-3-2-6-19(20)28/h2-15H,28H2,1H3,(H,30,33)(H,31,34)(H,32,35)	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	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of wild-type c-Abl (unknown origin) by liquid scintillation counting				J Med Chem 52: 2265-79 (2009) Article DOI: 10.1021/jm800988r BindingDB Entry DOI: 10.7270/Q2NS0TSP
					More data for this Ligand-Target Pair