Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ubiquitin-conjugating enzyme E2 E1' and Ligand = 'BDBM329870'   

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))	BDBM329870 ((rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(3-morphol...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc(c2)N2CCOCC2)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C22H28N6O6S/c23-35(31,32)34-13-15-11-18(22(30)21(15)29)25-19-4-5-24-20-12-17(26-28(19)20)14-2-1-3-16(10-14)27-6-8-33-9-7-27/h1-5,10,12,15,18,21-22,25,29-30H,6-9,11,13H2,(H2,23,31,32)/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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