Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM223085'   

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))	BDBM223085 (Butyl 4-(6-((5-((2-chloro-6-methylphenyl)carbamoyl...) Show SMILES CCCCOC(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1 Show InChI InChI=1S/C25H30ClN7O3S/c1-4-5-13-36-25(35)33-11-9-32(10-12-33)21-14-20(28-17(3)29-21)30-24-27-15-19(37-24)23(34)31-22-16(2)7-6-8-18(22)26/h6-8,14-15H,4-5,9-13H2,1-3H3,(H,31,34)(H,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.201	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description ABL activity assays were performed in 384-well plate using the FRET-based Z'-Lyteassay system and Tyr-2 peptide substrate according to the manufa...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
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