Found 112 hits Enz. Inhib. hit(s) with Target = 'NEDD8-activating enzyme E1 catalytic 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 catalytic subunit
(Homo sapiens) | BDBM50601510
(CHEMBL5170838)Show SMILES CC(C)(C)NC(=O)N1CCC2(C[C@H](Nc3ncnc4n(nnc34)[C@H]3C[C@H](O)[C@H](COS(N)(=O)=O)C3)c3ccccc23)CC1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00242
BindingDB Entry DOI: 10.7270/Q2HX1HQK |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50601479
(CHEMBL5182746)Show SMILES NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n1nnc2c(N[C@H]3CCc4ccccc34)ncnc12 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00242
BindingDB Entry DOI: 10.7270/Q2HX1HQK |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | 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
UniProtKB/SwissProt
GoogleScholar
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PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00242
BindingDB Entry DOI: 10.7270/Q2HX1HQK |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | 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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.550 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00242
BindingDB Entry DOI: 10.7270/Q2HX1HQK |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50601508
(CHEMBL5206652)Show SMILES NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n1nnc2c(N[C@H]3CC4(CCN(CC4)C(=O)O[C@@H]4CCOC4)c4ccccc34)ncnc12 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.570 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00242
BindingDB Entry DOI: 10.7270/Q2HX1HQK |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM320991
(4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamo...)Show SMILES CCOc1cccc(F)c1C#Cc1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12 Show InChI InChI=1S/C21H23FN6O6S/c1-2-33-14-5-3-4-13(22)12(14)7-6-11-9-28(20-16(11)19(23)25-10-26-20)21-18(30)17(29)15(34-21)8-27-35(24,31)32/h3-5,9-10,15,17-18,21,27,29-30H,2,8H2,1H3,(H2,23,25,26)(H2,24,31,32)/t15-,17-,18-,21-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.955 | 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 catalytic subunit
(Homo sapiens) | BDBM50601511
(CHEMBL5181979)Show SMILES CCOc1cccc(F)c1C#Cc1cn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00242
BindingDB Entry DOI: 10.7270/Q2HX1HQK |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50601501
(CHEMBL5173723)Show SMILES CCOC(=O)N1CCC2(C[C@H](Nc3ncnc4n(nnc34)[C@H]3C[C@H](O)[C@H](COS(N)(=O)=O)C3)c3ccccc23)CC1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00242
BindingDB Entry DOI: 10.7270/Q2HX1HQK |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50601494
(CHEMBL5192493)Show SMILES NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n1nnc2c(N[C@H]3[C@@H](O)Cc4ccccc34)ncnc12 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00242
BindingDB Entry DOI: 10.7270/Q2HX1HQK |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50601496
(CHEMBL5197178)Show SMILES COCCO[C@H]1Cc2ccccc2[C@H]1Nc1ncnc2n(nnc12)[C@H]1C[C@H](O)[C@H](COS(N)(=O)=O)C1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00242
BindingDB Entry DOI: 10.7270/Q2HX1HQK |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | 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
UniProtKB/SwissProt
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00242
BindingDB Entry DOI: 10.7270/Q2HX1HQK |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | 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
UniProtKB/SwissProt
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MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | 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 catalytic subunit
(Homo sapiens) | BDBM50601503
(CHEMBL5209054)Show SMILES CC(C)OC(=O)N1CCC2(C[C@H](Nc3ncnc4n(nnc34)[C@H]3C[C@H](O)[C@H](COS(N)(=O)=O)C3)c3ccccc23)CC1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00242
BindingDB Entry DOI: 10.7270/Q2HX1HQK |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | 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
UniProtKB/SwissProt
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| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His-tagged NAE1 expressed in baculovirus expression system after 90 mins in presence of FLAG-tagged NEDD8 by TR-FRET ... |
J Med Chem 61: 2680-2693 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01277
BindingDB Entry DOI: 10.7270/Q29K4DVZ |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50601509
(CHEMBL5188530)Show SMILES COCC(=O)N1CCC2(C[C@H](Nc3ncnc4n(nnc34)[C@H]3C[C@H](O)[C@H](COS(N)(=O)=O)C3)c3ccccc23)CC1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00242
BindingDB Entry DOI: 10.7270/Q2HX1HQK |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50601502
(CHEMBL5193236)Show SMILES NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n1nnc2c(N[C@H]3CC4(CCN(CC4)C(=O)OCCF)c4ccccc34)ncnc12 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00242
BindingDB Entry DOI: 10.7270/Q2HX1HQK |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50601482
(CHEMBL5177700)Show SMILES NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n1nnc2c(NCc3ccccc3F)ncnc12 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00242
BindingDB Entry DOI: 10.7270/Q2HX1HQK |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50601511
(CHEMBL5181979)Show SMILES CCOc1cccc(F)c1C#Cc1cn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00242
BindingDB Entry DOI: 10.7270/Q2HX1HQK |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50601505
(CHEMBL5178136)Show SMILES CC(C)(C)OC(=O)N1CCC2(C[C@H](Nc3ncnc4n(nnc34)[C@H]3C[C@H](O)[C@H](COS(N)(=O)=O)C3)c3ccccc23)CC1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00242
BindingDB Entry DOI: 10.7270/Q2HX1HQK |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | 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
UniProtKB/SwissProt
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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 |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00242
BindingDB Entry DOI: 10.7270/Q2HX1HQK |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50575579
(CHEMBL4847817)Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1ccn(Cc2cccc(Br)c2)c1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant NAE (unknown origin) in presence of ATP at Km concentration by HTRF assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8 |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50601507
(CHEMBL5192527)Show SMILES NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n1nnc2c(N[C@H]3CC4(CCN(CC4)C(=O)OCCN4CCOCC4)c4ccccc34)ncnc12 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00242
BindingDB Entry DOI: 10.7270/Q2HX1HQK |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50601484
(CHEMBL5169743)Show SMILES NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n1nnc2c(NCc3cccs3)ncnc12 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00242
BindingDB Entry DOI: 10.7270/Q2HX1HQK |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50601504
(CHEMBL5179467)Show SMILES NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n1nnc2c(N[C@H]3CC4(CCN(CC4)C(=O)OC(C(F)(F)F)C(F)(F)F)c4ccccc34)ncnc12 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00242
BindingDB Entry DOI: 10.7270/Q2HX1HQK |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50601488
(CHEMBL5170141)Show SMILES CCCCCCNc1ncnc2n(nnc12)[C@H]1C[C@H](O)[C@H](COS(N)(=O)=O)C1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00242
BindingDB Entry DOI: 10.7270/Q2HX1HQK |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50575577
(CHEMBL4860740)Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1ccn(Cc2ccccc2)c1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant NAE (unknown origin) in presence of ATP at Km concentration by HTRF assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8 |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50575555
(CHEMBL4878088)Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ncncc2C(=O)c2ccn(Cc3ccccc3)n2)[C@H](O)[C@@H]1O |r| | PDB
UniProtKB/SwissProt
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| PC cid
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PDB
UniChem
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant NAE (unknown origin) in presence of ATP at Km concentration by HTRF assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8 |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50575593
(CHEMBL4878832)Show SMILES CC(O)(c1csc(c1)C(=O)c1cncnc1N[C@@H]1C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O)c1cccc(Br)n1 |r| | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
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| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant NAE (unknown origin) in presence of ATP at Km concentration by HTRF assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8 |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50601483
(CHEMBL5207989)Show SMILES NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n1nnc2c(NCc3ccco3)ncnc12 |r| | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
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| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00242
BindingDB Entry DOI: 10.7270/Q2HX1HQK |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50575562
(CHEMBL4852015)Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1ccn(n1)-c1ccccc1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant NAE (unknown origin) in presence of ATP at Km concentration by HTRF assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8 |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM462715
(US10780090, Compound I-51 | US10780090, Compound I...)Show SMILES Cc1sc(cc1Cc1cccc(Cl)c1)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 Show InChI InChI=1S/C23H25ClN4O5S2/c1-13-15(5-14-3-2-4-17(24)6-14)8-21(34-13)22(30)19-10-26-12-27-23(19)28-18-7-16(20(29)9-18)11-33-35(25,31)32/h2-4,6,8,10,12,16,18,20,29H,5,7,9,11H2,1H3,(H2,25,31,32)(H,26,27,28)/t16-,18-,20+/m1/s1 | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant NAE (unknown origin) in presence of ATP at Km concentration by HTRF assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8 |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM462705
(US10780090, Compound I-43 | {(1R,2S,4R)-4-[(5-{[4-...)Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(Cc2cccc(Cl)c2)cs1 Show InChI InChI=1S/C22H23ClN4O5S2/c23-16-3-1-2-13(5-16)4-14-6-20(33-11-14)21(29)18-9-25-12-26-22(18)27-17-7-15(19(28)8-17)10-32-34(24,30)31/h1-3,5-6,9,11-12,15,17,19,28H,4,7-8,10H2,(H2,24,30,31)(H,25,26,27)/t15-,17-,19+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant NAE (unknown origin) in presence of ATP at Km concentration by HTRF assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8 |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50575586
(CHEMBL4848442)Show SMILES Cc1sc(cc1C(O)c1cccc(Cl)c1)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant NAE (unknown origin) in presence of ATP at Km concentration by HTRF assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8 |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50601499
(CHEMBL5201960)Show SMILES NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n1nnc2c(N[C@H]3CC4(CCNCC4)c4ccccc34)ncnc12 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00242
BindingDB Entry DOI: 10.7270/Q2HX1HQK |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50601490
(CHEMBL5206263)Show SMILES COC(=O)[C@@H]1C[C@H](Nc2ncnc3n(nnc23)[C@H]2C[C@H](O)[C@H](COS(N)(=O)=O)C2)C=C1 |r,c:32| | PDB
UniProtKB/SwissProt
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| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00242
BindingDB Entry DOI: 10.7270/Q2HX1HQK |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50601485
(CHEMBL5206633)Show SMILES NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n1nnc2c(NCCc3ccccc3)ncnc12 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00242
BindingDB Entry DOI: 10.7270/Q2HX1HQK |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM462725
(US10780090, Compound I-59 | {(1R,2S,4R)-4-[(5-{[4-...)Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(Cc2cccc(Br)c2)cs1 Show InChI InChI=1S/C22H23BrN4O5S2/c23-16-3-1-2-13(5-16)4-14-6-20(33-11-14)21(29)18-9-25-12-26-22(18)27-17-7-15(19(28)8-17)10-32-34(24,30)31/h1-3,5-6,9,11-12,15,17,19,28H,4,7-8,10H2,(H2,24,30,31)(H,25,26,27)/t15-,17-,19+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant NAE (unknown origin) in presence of ATP at Km concentration by HTRF assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8 |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50575599
(CHEMBL4848140)Show SMILES Cc1sc(cc1C1OCCc2ccccc12)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant NAE (unknown origin) in presence of ATP at Km concentration by HTRF assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8 |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50601486
(CHEMBL5190183)Show SMILES NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n1nnc2c(NCCc3cccs3)ncnc12 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00242
BindingDB Entry DOI: 10.7270/Q2HX1HQK |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50575581
(CHEMBL4860263)Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(cs1)C(O)c1cccc(Cl)c1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 114 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant NAE (unknown origin) in presence of ATP at Km concentration by HTRF assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8 |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50575581
(CHEMBL4860263)Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(cs1)C(O)c1cccc(Cl)c1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 114 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant NAE (unknown origin) in presence of ATP at Km concentration by HTRF assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8 |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50601506
(CHEMBL5188300)Show SMILES NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n1nnc2c(N[C@H]3CC4(CCN(CC4)C(=O)OC(CO)CO)c4ccccc34)ncnc12 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00242
BindingDB Entry DOI: 10.7270/Q2HX1HQK |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50575578
(CHEMBL4847843)Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cnn(Cc2ccccc2)c1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 122 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant NAE (unknown origin) in presence of ATP at Km concentration by HTRF assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8 |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50601487
(CHEMBL5200375)Show SMILES NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n1nnc2c(NCCCc3ccccc3)ncnc12 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 149 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00242
BindingDB Entry DOI: 10.7270/Q2HX1HQK |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50601497
(CHEMBL5173277)Show SMILES COCC(=O)N[C@H]1Cc2ccccc2[C@H]1Nc1ncnc2n(nnc12)[C@H]1C[C@H](O)[C@H](COS(N)(=O)=O)C1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00242
BindingDB Entry DOI: 10.7270/Q2HX1HQK |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50601500
(CHEMBL5188093)Show SMILES CN1CCC2(C[C@H](Nc3ncnc4n(nnc34)[C@H]3C[C@H](O)[C@H](COS(N)(=O)=O)C3)c3ccccc23)CC1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
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UniChem
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PubMed
| n/a | n/a | 187 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00242
BindingDB Entry DOI: 10.7270/Q2HX1HQK |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50575556
(CHEMBL4865086)Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1ccn(Cc2ccccc2)n1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant NAE (unknown origin) in presence of ATP at Km concentration by HTRF assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8 |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50575596
(CHEMBL4848114)Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(cs1)[C@@H]1OCCc2ccccc12 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 198 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant NAE (unknown origin) in presence of ATP at Km concentration by HTRF assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8 |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50575601
(CHEMBL4858933)Show SMILES Cc1sc(cc1C1OCCc2ccc(Cl)nc12)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 203 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant NAE (unknown origin) in presence of ATP at Km concentration by HTRF assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01491
BindingDB Entry DOI: 10.7270/Q2PK0KZ8 |
More data for this
Ligand-Target Pair | |
NEDD8-activating enzyme E1 catalytic subunit
(Homo sapiens) | BDBM50601495
(CHEMBL5189807)Show SMILES CN(C)[C@H]1Cc2ccccc2[C@H]1Nc1ncnc2n(nnc12)[C@H]1C[C@H](O)[C@H](COS(N)(=O)=O)C1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 207 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00242
BindingDB Entry DOI: 10.7270/Q2HX1HQK |
More data for this
Ligand-Target Pair | |
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