Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50238530'   

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))	BDBM50238530 (CHEMBL4087882) Show SMILES CN1CCN(CCOC(=O)N(c2cccc(Br)c2)c2nc(SCCN3CCOCC3)nc3n(CC(Cl)c4ccccc4)ncc23)CC1 Show InChI InChI=1S/C33H40BrClN8O3S/c1-39-10-12-40(13-11-39)16-20-46-33(44)43(27-9-5-8-26(34)22-27)31-28-23-36-42(24-29(35)25-6-3-2-4-7-25)30(28)37-32(38-31)47-21-17-41-14-18-45-19-15-41/h2-9,22-23,29H,10-21,24H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	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 Inhibition of human wild type full length N-terminal GST/6His-tagged ABL (P118 to S535 residues) expressed in Sf9 cells using abltide as substrate af...				J Med Chem 60: 6305-6320 (2017) Article DOI: 10.1021/acs.jmedchem.7b00637 BindingDB Entry DOI: 10.7270/Q2HT2RMG
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