Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50436576'   

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))	BDBM50436576 (CHEMBL2397810) Show SMILES Fc1ccc(F)c(CNc2ncnc3n(CC(Cl)c4ccc(Br)cc4)ncc23)c1 Show InChI InChI=1S/C20H15BrClF2N5/c21-14-3-1-12(2-4-14)17(22)10-29-20-16(9-28-29)19(26-11-27-20)25-8-13-7-15(23)5-6-18(13)24/h1-7,9,11,17H,8,10H2,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.72E+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