Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM223100'   

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))	BDBM223100 (Phenyl 3-(6-((5-((2-chloro-6-methylphenyl)carbamoy...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)C1CCN(C1)C(=O)Oc1ccccc1 Show InChI InChI=1S/C27H25ClN6O3S/c1-16-7-6-10-20(28)24(16)33-25(35)22-14-29-26(38-22)32-23-13-21(30-17(2)31-23)18-11-12-34(15-18)27(36)37-19-8-4-3-5-9-19/h3-10,13-14,18H,11-12,15H2,1-2H3,(H,33,35)(H,29,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	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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