Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50378806'   

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))	BDBM50378806 (CHEMBL1223411) Show SMILES Cn1c2nc(NCc3cccc(N)c3)ncc2cc(-c2c(F)cccc2F)c1=O |(4.09,-13.59,;4.09,-12.05,;2.77,-11.29,;1.44,-12.06,;.11,-11.29,;-1.22,-12.06,;-2.56,-11.3,;-3.89,-12.07,;-3.88,-13.62,;-5.22,-14.39,;-6.55,-13.62,;-6.55,-12.08,;-7.88,-11.31,;-5.22,-11.31,;.1,-9.76,;1.42,-8.98,;2.77,-9.74,;4.1,-8.97,;5.43,-9.75,;6.76,-8.98,;6.76,-7.45,;5.43,-6.68,;8.09,-6.68,;9.43,-7.45,;9.43,-8.99,;8.09,-9.76,;8.09,-11.3,;5.43,-11.29,;6.76,-12.06,)| Show InChI InChI=1S/C21H17F2N5O/c1-28-19-13(9-15(20(28)29)18-16(22)6-3-7-17(18)23)11-26-21(27-19)25-10-12-4-2-5-14(24)8-12/h2-9,11H,10,24H2,1H3,(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	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Iowa State University Curated by ChEMBL					Assay Description Inhibition of recombinant c-Abl after 30 mins				Bioorg Med Chem 18: 6316-21 (2010) Article DOI: 10.1016/j.bmc.2010.07.021 BindingDB Entry DOI: 10.7270/Q2CZ384X
					More data for this Ligand-Target Pair