BDBM329891 (rac)-rel-5-[7-({(1R,2S,3R,4R)-2,3-dihydroxy-4-::US10202389, Compound I-099::US9663525, Compound I-099

SMILES: NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc3cc(ccc23)C(O)=O)[C@H](O)[C@@H]1O

InChI Key: InChIKey=GUAHEWCHNSONQK-SRBBEKPSSA-N

Data: 2 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 2 hits for monomerid = 329891   

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-like modifier-activating enzyme 1 (Homo sapiens (Human))	BDBM329891 ((rac)-rel-5-[7-({(1R,2S,3R,4R)-2,3-dihydroxy-4- | ...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc3cc(ccc23)C(O)=O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C23H23N5O7S/c24-36(33,34)35-11-14-9-18(22(30)21(14)29)26-19-6-7-25-20-10-17(27-28(19)20)16-3-1-2-12-8-13(23(31)32)4-5-15(12)16/h1-8,10,14,18,21-22,26,29-30H,9,11H2,(H,31,32)(H2,24,33,34)/t14-,18-,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia 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 US10202389 (2019) BindingDB Entry DOI: 10.7270/Q2DN475J
					More data for this Ligand-Target Pair
E2 ubiquitin-conjugating enzyme E1 (Homo sapiens (Human))	BDBM329891 ((rac)-rel-5-[7-({(1R,2S,3R,4R)-2,3-dihydroxy-4- | ...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc3cc(ccc23)C(O)=O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C23H23N5O7S/c24-36(33,34)35-11-14-9-18(22(30)21(14)29)26-19-6-7-25-20-10-17(27-28(19)20)16-3-1-2-12-8-13(23(31)32)4-5-15(12)16/h1-8,10,14,18,21-22,26,29-30H,9,11H2,(H,31,32)(H2,24,33,34)/t14-,18-,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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