Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50436577'   

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))	BDBM50436577 (CHEMBL2397809) Show SMILES Fc1ccc(CNc2ncnc3n(CC(Cl)c4ccc(Br)cc4)ncc23)cc1 Show InChI InChI=1S/C20H16BrClFN5/c21-15-5-3-14(4-6-15)18(22)11-28-20-17(10-27-28)19(25-12-26-20)24-9-13-1-7-16(23)8-2-13/h1-8,10,12,18H,9,11H2,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.53E+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 Binding affinity to recombinant wild type human Abl using abitide as substrate				J Med Chem 56: 5382-94 (2014) Article DOI: 10.1021/jm400233w BindingDB Entry DOI: 10.7270/Q29G5P63
					More data for this Ligand-Target Pair