Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ubiquitin-conjugating enzyme E2 E1' and Ligand = 'BDBM329876'   

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
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329876 ((rac)-((1R,2R,3S,4R)-4-(2-(3-(2-ethoxypropan-2-yl)...) Show SMILES CCOC(C)(C)c1cccc(c1)-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1 |r| Show InChI InChI=1S/C23H31N5O6S/c1-4-33-23(2,3)16-7-5-6-14(10-16)17-12-20-25-9-8-19(28(20)27-17)26-18-11-15(21(29)22(18)30)13-34-35(24,31)32/h5-10,12,15,18,21-22,26,29-30H,4,11,13H2,1-3H3,(H2,24,31,32)/t15-,18-,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
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