BDBM329903 (s.e.)-((1R,2R,3S,4R)-4-(2-(6-(difluoromethyl)naphthalen-1-yl)pyrazolo[1,5-::US10202389, Compound I-111::US9663525, Compound I-111::US9796725, Compound I-111

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

InChI Key: InChIKey=FCSRIWVCANDBTG-SRBBEKPSSA-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 = 329903   

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))	BDBM329903 ((s.e.)-((1R,2R,3S,4R)-4-(2-(6-(difluoromethyl)naph...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc3cc(ccc23)C(F)F)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C23H23F2N5O5S/c24-23(25)13-4-5-15-12(8-13)2-1-3-16(15)17-10-20-27-7-6-19(30(20)29-17)28-18-9-14(21(31)22(18)32)11-35-36(26,33)34/h1-8,10,14,18,21-23,28,31-32H,9,11H2,(H2,26,33,34)/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
SUMO-activating enzyme subunit 2 (SAE2) (Homo sapiens (Human))	BDBM329903 ((s.e.)-((1R,2R,3S,4R)-4-(2-(6-(difluoromethyl)naph...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc3cc(ccc23)C(F)F)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C23H23F2N5O5S/c24-23(25)13-4-5-15-12(8-13)2-1-3-16(15)17-10-20-27-7-6-19(30(20)29-17)28-18-9-14(21(31)22(18)32)11-35-36(26,33)34/h1-8,10,14,18,21-23,28,31-32H,9,11H2,(H2,26,33,34)/t14-,18-,21-,22+/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))	BDBM329903 ((s.e.)-((1R,2R,3S,4R)-4-(2-(6-(difluoromethyl)naph...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc3cc(ccc23)C(F)F)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C23H23F2N5O5S/c24-23(25)13-4-5-15-12(8-13)2-1-3-16(15)17-10-20-27-7-6-19(30(20)29-17)28-18-9-14(21(31)22(18)32)11-35-36(26,33)34/h1-8,10,14,18,21-23,28,31-32H,9,11H2,(H2,26,33,34)/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