Found 14 hits Enz. Inhib. hit(s) with Target = 'NEDD8-activating enzyme E1 regulatory subunit' 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 |
|---|
NEDD8-activating enzyme E1 regulatory subunit
(Homo sapiens (Human)) | BDBM50594972
(CHEMBL5177755)Show SMILES COC(=O)N1CCC2(C[C@H](Nc3ncnc4n(nnc34)[C@H]3C[C@H](O)[C@H](COS(N)(=O)=O)C3)c3ccccc23)CC1 |r| | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114156
BindingDB Entry DOI: 10.7270/Q21C21WJ |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 regulatory subunit
(Homo sapiens (Human)) | BDBM50427034
(CHEMBL2322194)Show SMILES NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)N1CCc2c1ncnc2N[C@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C21H27N5O4S/c22-31(28,29)30-11-14-9-15(10-19(14)27)26-8-7-17-20(23-12-24-21(17)26)25-18-6-5-13-3-1-2-4-16(13)18/h1-4,12,14-15,18-19,27H,5-11H2,(H2,22,28,29)(H,23,24,25)/t14-,15+,18-,19-/m0/s1 | PDB
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Mississauga
Curated by ChEMBL
| Assay Description
Inhibition of NAE (unknown origin) |
J Med Chem 56: 2165-77 (2013)
Article DOI: 10.1021/jm301420b
BindingDB Entry DOI: 10.7270/Q29P32ZT |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 regulatory subunit
(Homo sapiens (Human)) | BDBM50427035
(CHEMBL2017005)Show SMILES NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCc4ccccc34)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+/m0/s1 | PDB
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Mississauga
Curated by ChEMBL
| Assay Description
Inhibition of NAE (unknown origin) in presence of ATP |
J Med Chem 56: 2165-77 (2013)
Article DOI: 10.1021/jm301420b
BindingDB Entry DOI: 10.7270/Q29P32ZT |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 regulatory subunit
(Homo sapiens (Human)) | BDBM50285607
(MLN-4924 | MLN-4924003 | Pevonedistat)Show SMILES [H][C@]1(O)C[C@@]([H])(C[C@@]1([H])COS(N)(=O)=O)n1ccc2c(N[C@@]3([H])CCc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C21H25N5O4S/c22-31(28,29)30-11-14-9-15(10-19(14)27)26-8-7-17-20(23-12-24-21(17)26)25-18-6-5-13-3-1-2-4-16(13)18/h1-4,7-8,12,14-15,18-19,27H,5-6,9-11H2,(H2,22,28,29)(H,23,24,25)/t14-,15+,18-,19-/m0/s1 | PDB
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MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of NAE (unknown origin)-mediated neddylation assessed as suppression of cullin1-Nedd8 adduct formation preincubated for 10 mins followed b... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112964
BindingDB Entry DOI: 10.7270/Q2PN99CF |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 regulatory subunit
(Homo sapiens (Human)) | BDBM50574026
(CHEMBL4282603)Show SMILES NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n1ccc2c(N[C@@H]3CCc4ccccc34)ncnc12 |r| | PDB
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UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of NAE1 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113801
BindingDB Entry DOI: 10.7270/Q2280CFC |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 regulatory subunit
(Homo sapiens (Human)) | BDBM50427031
(CHEMBL2322197)Show SMILES OC(=O)CNC(=O)CNC(=O)COc1ccc2nc3CCCn3c(=O)c2c1 Show InChI InChI=1S/C17H18N4O6/c22-14(19-8-16(24)25)7-18-15(23)9-27-10-3-4-12-11(6-10)17(26)21-5-1-2-13(21)20-12/h3-4,6H,1-2,5,7-9H2,(H,18,23)(H,19,22)(H,24,25) | PDB
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CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Mississauga
Curated by ChEMBL
| Assay Description
Inhibition of NAE (unknown origin)-catalyzed NEDD8-Ubcl2 intermediate formation by densitometric analysis |
J Med Chem 56: 2165-77 (2013)
Article DOI: 10.1021/jm301420b
BindingDB Entry DOI: 10.7270/Q29P32ZT |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 regulatory subunit
(Homo sapiens (Human)) | BDBM50427032
(6,6''-Biapigenin | CHEMBL2322196)Show SMILES Oc1ccc(cc1)-c1cc(O)c2c(cc(O)c(-c3c(O)cc4oc(cc(=O)c4c3O)-c3ccc(O)cc3)c2=O)o1 |(1,-46.28,;2.34,-47.05,;2.34,-48.59,;3.67,-49.36,;5.01,-48.59,;5,-47.04,;3.67,-46.28,;6.34,-49.36,;6.35,-50.9,;7.67,-51.67,;7.67,-53.21,;9.01,-50.9,;9.01,-49.36,;10.33,-48.59,;11.66,-49.35,;12.99,-48.58,;11.66,-50.89,;13,-51.66,;12.99,-53.2,;11.66,-53.97,;14.33,-53.97,;15.66,-53.19,;16.99,-53.96,;18.32,-53.19,;18.32,-51.65,;16.98,-50.87,;16.98,-49.33,;15.65,-51.65,;14.32,-50.89,;14.31,-49.35,;19.65,-53.96,;19.65,-55.5,;20.98,-56.27,;22.32,-55.5,;23.65,-56.27,;22.31,-53.95,;20.98,-53.19,;10.34,-51.66,;10.34,-53.2,;7.68,-48.58,)| Show InChI InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)21-9-17(33)25-23(39-21)11-19(35)27(29(25)37)28-20(36)12-24-26(30(28)38)18(34)10-22(40-24)14-3-7-16(32)8-4-14/h1-12,31-33,35-36,38H | PDB
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Mississauga
Curated by ChEMBL
| Assay Description
Inhibition of NAE (unknown origin) assessed as decrease in NEDD8-Ubcl2 formation |
J Med Chem 56: 2165-77 (2013)
Article DOI: 10.1021/jm301420b
BindingDB Entry DOI: 10.7270/Q29P32ZT |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 regulatory subunit
(Homo sapiens (Human)) | BDBM50562350
(CHEMBL4788522)Show SMILES CCOc1nc2cccc(C(=O)NCCc3ccc(Cl)cc3Cl)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of NAE (unknown origin)-mediated neddylation assessed as suppression of cullin1-Nedd8 adduct formation preincubated for 10 mins followed b... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112964
BindingDB Entry DOI: 10.7270/Q2PN99CF |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 regulatory subunit
(Homo sapiens (Human)) | BDBM50562351
(CHEMBL4746177)Show SMILES CCOc1nc2cccc(C(=O)NCCc3cc(Cl)ccc3Cl)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 | PDB
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UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of NAE (unknown origin)-mediated neddylation assessed as suppression of cullin1-Nedd8 adduct formation preincubated for 10 mins followed b... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112964
BindingDB Entry DOI: 10.7270/Q2PN99CF |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 regulatory subunit
(Homo sapiens (Human)) | BDBM50562352
(CHEMBL4744561)Show SMILES CCOc1nc2cccc(C(=O)NCCc3c[nH]c4ccccc34)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 | PDB
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UniProtKB/SwissProt
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of NAE (unknown origin)-mediated neddylation assessed as suppression of cullin1-Nedd8 adduct formation preincubated for 10 mins followed b... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112964
BindingDB Entry DOI: 10.7270/Q2PN99CF |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 regulatory subunit
(Homo sapiens (Human)) | BDBM50318907
(2-Ethoxy-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)Show SMILES CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C33H34N6O6/c1-3-42-32-34-28-15-9-14-27(31(40)43-21(2)44-33(41)45-24-10-5-4-6-11-24)29(28)39(32)20-22-16-18-23(19-17-22)25-12-7-8-13-26(25)30-35-37-38-36-30/h7-9,12-19,21,24H,3-6,10-11,20H2,1-2H3,(H,35,36,37,38) | PDB
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CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.64E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of NAE (unknown origin)-mediated neddylation assessed as suppression of cullin1-Nedd8 adduct formation preincubated for 10 mins followed b... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112964
BindingDB Entry DOI: 10.7270/Q2PN99CF |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 regulatory subunit
(Homo sapiens (Human)) | BDBM50427032
(6,6''-Biapigenin | CHEMBL2322196)Show SMILES Oc1ccc(cc1)-c1cc(O)c2c(cc(O)c(-c3c(O)cc4oc(cc(=O)c4c3O)-c3ccc(O)cc3)c2=O)o1 |(1,-46.28,;2.34,-47.05,;2.34,-48.59,;3.67,-49.36,;5.01,-48.59,;5,-47.04,;3.67,-46.28,;6.34,-49.36,;6.35,-50.9,;7.67,-51.67,;7.67,-53.21,;9.01,-50.9,;9.01,-49.36,;10.33,-48.59,;11.66,-49.35,;12.99,-48.58,;11.66,-50.89,;13,-51.66,;12.99,-53.2,;11.66,-53.97,;14.33,-53.97,;15.66,-53.19,;16.99,-53.96,;18.32,-53.19,;18.32,-51.65,;16.98,-50.87,;16.98,-49.33,;15.65,-51.65,;14.32,-50.89,;14.31,-49.35,;19.65,-53.96,;19.65,-55.5,;20.98,-56.27,;22.32,-55.5,;23.65,-56.27,;22.31,-53.95,;20.98,-53.19,;10.34,-51.66,;10.34,-53.2,;7.68,-48.58,)| Show InChI InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)21-9-17(33)25-23(39-21)11-19(35)27(29(25)37)28-20(36)12-24-26(30(28)38)18(34)10-22(40-24)14-3-7-16(32)8-4-14/h1-12,31-33,35-36,38H | PDB
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Mississauga
Curated by ChEMBL
| Assay Description
Inhibition of NAE (unknown origin)-catalyzed transthiolation of NEDD8 from NAE to Ubc12 |
J Med Chem 56: 2165-77 (2013)
Article DOI: 10.1021/jm301420b
BindingDB Entry DOI: 10.7270/Q29P32ZT |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 regulatory subunit
(Homo sapiens (Human)) | BDBM50537681
(CHEMBL4640167)Show SMILES COc1cc(Nc2nc(Nc3ccc4[nH]ccc4c3)nnc2Cl)cc(OC)c1OC Show InChI InChI=1S/C20H19ClN6O3/c1-28-15-9-13(10-16(29-2)17(15)30-3)23-19-18(21)26-27-20(25-19)24-12-4-5-14-11(8-12)6-7-22-14/h4-10,22H,1-3H3,(H2,23,24,25,27) | PDB
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.56E+3 | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description
Inhibition of Protein kinase C delta expressed in Sf-9 cells |
J Med Chem 39: 1823-35 (1996)
Article DOI: 10.1016/j.bmcl.2019.126791
BindingDB Entry DOI: 10.7270/Q26T0KPR |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 regulatory subunit
(Homo sapiens (Human)) | BDBM50537681
(CHEMBL4640167)Show SMILES COc1cc(Nc2nc(Nc3ccc4[nH]ccc4c3)nnc2Cl)cc(OC)c1OC Show InChI InChI=1S/C20H19ClN6O3/c1-28-15-9-13(10-16(29-2)17(15)30-3)23-19-18(21)26-27-20(25-19)24-12-4-5-14-11(8-12)6-7-22-14/h4-10,22H,1-3H3,(H2,23,24,25,27) | PDB
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UniProtKB/SwissProt
B.MOAD
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antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.56E+3 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114156
BindingDB Entry DOI: 10.7270/Q21C21WJ |
More data for this
Ligand-Target Pair | |
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