Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50211226'   

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))	BDBM50211226 (CHEMBL3906886) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3cnccc3C)c2)CC1 Show InChI InChI=1S/C33H38F3N5O3/c1-22-8-11-37-20-28(22)32(43)41-12-9-27(10-13-41)44-30-19-26(7-4-23(30)2)38-31(42)24-5-6-25(29(18-24)33(34,35)36)21-40-16-14-39(3)15-17-40/h4-8,11,18-20,27H,9-10,12-17,21H2,1-3H3,(H,38,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human ABL1 expressed in baculovirus infected SF9 cells using Tyr 02 peptide as substrate measured after 1 hr by F...				J Med Chem 60: 273-289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01290 BindingDB Entry DOI: 10.7270/Q2J10591
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