Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50368550'   

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))	BDBM50368550 (CHEMBL4167237) Show SMILES CC(C)c1ccc(cc1C#Cc1cnc2ccccn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C32H32F3N5O/c1-22(2)29-10-8-25(18-24(29)7-9-28-20-36-30-6-4-5-11-40(28)30)31(41)37-27-17-23(16-26(19-27)32(33,34)35)21-39-14-12-38(3)13-15-39/h4-6,8,10-11,16-20,22H,12-15,21H2,1-3H3,(H,37,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	932	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of Abl1 (unknown origin) incubated for 1 hr in presence of Tyrosine-2 peptide substrate by FRET based Z'-Lyte assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
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