Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM223093'   

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))	BDBM223093 ((E)-2-((6-(4-(but-2-enoyl)piperazin-1-yl)-2-methyl...) Show SMILES C\C=C\C(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1 Show InChI InChI=1S/C24H26ClN7O2S/c1-4-6-21(33)32-11-9-31(10-12-32)20-13-19(27-16(3)28-20)29-24-26-14-18(35-24)23(34)30-22-15(2)7-5-8-17(22)25/h4-8,13-14H,9-12H2,1-3H3,(H,30,34)(H,26,27,28,29)/b6-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.191	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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