Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ubiquitin-conjugating enzyme E2 E1' and Ligand = 'BDBM329807'   

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))	BDBM329807 ((rac)-((1R,2R,3S,4R)-4-((2-(3-(tert-Butyl)phenyl)p...) Show SMILES CC(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/C22H29N5O5S/c1-22(2,3)15-6-4-5-13(9-15)16-11-19-24-8-7-18(27(19)26-16)25-17-10-14(20(28)21(17)29)12-32-33(23,30)31/h4-9,11,14,17,20-21,25,28-29H,10,12H2,1-3H3,(H2,23,30,31)/t14-,17-,20-,21+/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
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329807 ((rac)-((1R,2R,3S,4R)-4-((2-(3-(tert-Butyl)phenyl)p...) Show SMILES CC(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/C22H29N5O5S/c1-22(2,3)15-6-4-5-13(9-15)16-11-19-24-8-7-18(27(19)26-16)25-17-10-14(20(28)21(17)29)12-32-33(23,30)31/h4-9,11,14,17,20-21,25,28-29H,10,12H2,1-3H3,(H2,23,30,31)/t14-,17-,20-,21+/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
					More data for this Ligand-Target Pair