BDBM92475 Compound I

SMILES: NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4ccccc34)ncnc12

InChI Key: InChIKey=PGAMXUGSHMQFKD-XTMLTMLVSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 92475   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Ubiquitin activating enzyme (UAE) (Homo sapiens (Human))	BDBM92475 (Compound I) Show SMILES NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C19H22N6O6S/c20-32(28,29)30-7-13-15(26)16(27)19(31-13)25-9-23-14-17(21-8-22-18(14)25)24-12-6-5-10-3-1-2-4-11(10)12/h1-4,8-9,12-13,15-16,19,26-27H,5-7H2,(H2,20,28,29)(H,21,22,24)/t12?,13-,15-,16-,19-/m1/s1	MMDB Reactome pathway B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.2	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Inc.					Assay Description Inhibition assay using ubiquitin.				J Biol Chem 286: 40867-77 (2011) Article DOI: 10.1074/jbc.M111.279984 BindingDB Entry DOI: 10.7270/Q26W98P4
					More data for this Ligand-Target Pair
Ubiquitin activating enzyme (UAE) (Homo sapiens (Human))	BDBM92475 (Compound I) Show SMILES NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C19H22N6O6S/c20-32(28,29)30-7-13-15(26)16(27)19(31-13)25-9-23-14-17(21-8-22-18(14)25)24-12-6-5-10-3-1-2-4-11(10)12/h1-4,8-9,12-13,15-16,19,26-27H,5-7H2,(H2,20,28,29)(H,21,22,24)/t12?,13-,15-,16-,19-/m1/s1	MMDB Reactome pathway B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Inc.					Assay Description Inhibition assay using ubiquitin.				J Biol Chem 286: 40867-77 (2011) Article DOI: 10.1074/jbc.M111.279984 BindingDB Entry DOI: 10.7270/Q26W98P4
					More data for this Ligand-Target Pair
Ubiquitin activating enzyme (UAE) (Homo sapiens (Human))	BDBM92475 (Compound I) Show SMILES NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C19H22N6O6S/c20-32(28,29)30-7-13-15(26)16(27)19(31-13)25-9-23-14-17(21-8-22-18(14)25)24-12-6-5-10-3-1-2-4-11(10)12/h1-4,8-9,12-13,15-16,19,26-27H,5-7H2,(H2,20,28,29)(H,21,22,24)/t12?,13-,15-,16-,19-/m1/s1	MMDB Reactome pathway B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90.8	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Inc.					Assay Description Inhibition assay using ubiquitin.				J Biol Chem 286: 40867-77 (2011) Article DOI: 10.1074/jbc.M111.279984 BindingDB Entry DOI: 10.7270/Q26W98P4
					More data for this Ligand-Target Pair