Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50221557'   

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))	BDBM50221557 ((4-(7-(2-chloro-5-hydroxyphenyl)-5-methylbenzo[e][...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(O)ccc2Cl)cc1 Show InChI InChI=1S/C26H25ClN6O2/c1-16-13-18(21-15-20(34)7-8-22(21)27)14-23-24(16)29-26(31-30-23)28-19-5-3-17(4-6-19)25(35)33-11-9-32(2)10-12-33/h3-8,13-15,34H,9-12H2,1-2H3,(H,28,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TargeGen, Inc. Curated by ChEMBL					Assay Description Inhibition of Abl				Bioorg Med Chem Lett 17: 5812-8 (2007) Article DOI: 10.1016/j.bmcl.2007.08.043 BindingDB Entry DOI: 10.7270/Q2M32VGM
					More data for this Ligand-Target Pair