BDBM329864 (rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(2-methoyphenyl)pyrazolo[1,5-::US10202389, Compound I-072::US9663525, Compound I-072::US9796725, Compound I-072

SMILES: COc1ccccc1-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1

InChI Key: InChIKey=RRSYSNJGDYQWLR-IHHCABKOSA-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 = 329864   

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
E2 ubiquitin-conjugating enzyme E1 (Homo sapiens (Human))	BDBM329864 ((rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(2-methoyp...) Show SMILES COc1ccccc1-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1 |r| Show InChI InChI=1S/C19H23N5O6S/c1-29-15-5-3-2-4-12(15)13-9-17-21-7-6-16(24(17)23-13)22-14-8-11(18(25)19(14)26)10-30-31(20,27)28/h2-7,9,11,14,18-19,22,25-26H,8,10H2,1H3,(H2,20,27,28)/t11-,14-,18-,19+/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
SUMO-activating enzyme subunit 2 (SAE2) (Homo sapiens (Human))	BDBM329864 ((rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(2-methoyp...) Show SMILES COc1ccccc1-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1 |r| Show InChI InChI=1S/C19H23N5O6S/c1-29-15-5-3-2-4-12(15)13-9-17-21-7-6-16(24(17)23-13)22-14-8-11(18(25)19(14)26)10-30-31(20,27)28/h2-7,9,11,14,18-19,22,25-26H,8,10H2,1H3,(H2,20,27,28)/t11-,14-,18-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1 (Homo sapiens (Human))	BDBM329864 ((rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(2-methoyp...) Show SMILES COc1ccccc1-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1 |r| Show InChI InChI=1S/C19H23N5O6S/c1-29-15-5-3-2-4-12(15)13-9-17-21-7-6-16(24(17)23-13)22-14-8-11(18(25)19(14)26)10-30-31(20,27)28/h2-7,9,11,14,18-19,22,25-26H,8,10H2,1H3,(H2,20,27,28)/t11-,14-,18-,19+/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