Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Xylosyl- and glucuronyltransferase LARGE1' and Ligand = 'BDBM94733'   

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
Xylosyl- and glucuronyltransferase LARGE1 (Homo sapiens (Human))	BDBM94733 (MLS001061376 | N-[2-(dimethylamino)-2-(4-ethylphen...) Show SMILES CCc1ccc(cc1)C(CNC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1F)c2=O)N(C)C |(24.51,-3.12,;23.18,-3.89,;21.85,-3.11,;20.51,-3.88,;19.18,-3.1,;19.19,-1.56,;20.52,-.8,;21.85,-1.57,;17.86,-.79,;16.52,-1.55,;15.19,-.78,;13.85,-1.54,;13.85,-3.08,;12.52,-.77,;12.52,.84,;11.13,1.63,;9.75,.81,;9.75,-.73,;11.13,-1.56,;8.41,-1.5,;7.08,-.73,;5.75,-1.5,;7.08,.81,;5.75,1.58,;4.41,.81,;3.08,1.58,;3.08,3.12,;4.41,3.89,;5.75,3.12,;7.08,3.89,;8.41,1.58,;8.41,3.12,;17.86,.75,;19.2,1.52,;16.53,1.53,)| Show InChI InChI=1S/C27H27FN4O2S/c1-4-17-9-11-18(12-10-17)24(31(2)3)16-29-25(33)19-13-14-20-22(15-19)30-27(35)32(26(20)34)23-8-6-5-7-21(23)28/h5-15,24H,4,16H2,1-3H3,(H,29,33)(H,30,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2VT1QQ4
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