Found 15 hits Enz. Inhib. hit(s) with Target = 'Tetanus toxin' 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 |
|---|
Tetanus toxin
(Clostridium tetani) | BDBM50073671
((1S,2R)-2-[1-[1-Benzylcarbamoyl-2-(1H-imidazol-4-y...)Show SMILES NS(=O)(=O)c1cccc(c1)[C@H]([NH3+])[C@@H](S)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1cnc[nH]1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C31H35N7O6S2/c32-27(21-7-4-8-24(14-21)46(33,43)44)28(45)31(42)38-25(13-19-9-11-23(39)12-10-19)30(41)37-26(15-22-17-34-18-36-22)29(40)35-16-20-5-2-1-3-6-20/h1-12,14,17-18,25-28,39,45H,13,15-16,32H2,(H,34,36)(H,35,40)(H,37,41)(H,38,42)(H2,33,43,44)/p+1/t25?,26?,27-,28+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of tetanus neurotoxin (TeNt) |
J Med Chem 42: 515-25 (1999)
Article DOI: 10.1021/jm981066w
BindingDB Entry DOI: 10.7270/Q2BC4075 |
More data for this
Ligand-Target Pair | |
Tetanus toxin
(Clostridium tetani) | BDBM50073669
((S)-1-{(R)-[(S)-1-[(S)-1-Benzylcarbamoyl-2-(3H-imi...)Show SMILES NS(=O)(=O)CC[C@H]([NH3+])[C@@H](S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C27H35N7O6S2/c28-21(10-11-42(29,39)40)24(41)27(38)34-22(12-17-6-8-20(35)9-7-17)26(37)33-23(13-19-15-30-16-32-19)25(36)31-14-18-4-2-1-3-5-18/h1-9,15-16,21-24,35,41H,10-14,28H2,(H,30,32)(H,31,36)(H,33,37)(H,34,38)(H2,29,39,40)/p+1/t21-,22-,23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of tetanus neurotoxin (TeNt) |
J Med Chem 42: 515-25 (1999)
Article DOI: 10.1021/jm981066w
BindingDB Entry DOI: 10.7270/Q2BC4075 |
More data for this
Ligand-Target Pair | |
Tetanus toxin
(Clostridium tetani) | BDBM50073670
((1R,2S)-2-[1-[1-Benzylcarbamoyl-2-(1H-imidazol-4-y...)Show SMILES NS(=O)(=O)c1cccc(c1)[C@@H]([NH3+])[C@H](S)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1cnc[nH]1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C31H35N7O6S2/c32-27(21-7-4-8-24(14-21)46(33,43)44)28(45)31(42)38-25(13-19-9-11-23(39)12-10-19)30(41)37-26(15-22-17-34-18-36-22)29(40)35-16-20-5-2-1-3-6-20/h1-12,14,17-18,25-28,39,45H,13,15-16,32H2,(H,34,36)(H,35,40)(H,37,41)(H,38,42)(H2,33,43,44)/p+1/t25?,26?,27-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of tetanus neurotoxin (TeNt) |
J Med Chem 42: 515-25 (1999)
Article DOI: 10.1021/jm981066w
BindingDB Entry DOI: 10.7270/Q2BC4075 |
More data for this
Ligand-Target Pair | |
Tetanus toxin
(Clostridium tetani) | BDBM50073668
((S)-1-{(R)-[(S)-1-[(S)-1-Carboxy-2-(3H-imidazol-4-...)Show SMILES NS(=O)(=O)CC[C@H]([NH3+])[C@@H](S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O Show InChI InChI=1S/C20H28N6O7S2/c21-14(5-6-35(22,32)33)17(34)19(29)25-15(7-11-1-3-13(27)4-2-11)18(28)26-16(20(30)31)8-12-9-23-10-24-12/h1-4,9-10,14-17,27,34H,5-8,21H2,(H,23,24)(H,25,29)(H,26,28)(H,30,31)(H2,22,32,33)/p+1/t14-,15-,16-,17+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of tetanus neurotoxin (TeNt) |
J Med Chem 42: 515-25 (1999)
Article DOI: 10.1021/jm981066w
BindingDB Entry DOI: 10.7270/Q2BC4075 |
More data for this
Ligand-Target Pair | |
Tetanus toxin
(Clostridium tetani) | BDBM50073678
((1R,2R)-2-[1-[1-Benzylcarbamoyl-2-(1H-imidazol-4-y...)Show SMILES NS(=O)(=O)c1cccc(c1)[C@@H]([NH3+])[C@@H](S)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1cnc[nH]1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C31H35N7O6S2/c32-27(21-7-4-8-24(14-21)46(33,43)44)28(45)31(42)38-25(13-19-9-11-23(39)12-10-19)30(41)37-26(15-22-17-34-18-36-22)29(40)35-16-20-5-2-1-3-6-20/h1-12,14,17-18,25-28,39,45H,13,15-16,32H2,(H,34,36)(H,35,40)(H,37,41)(H,38,42)(H2,33,43,44)/p+1/t25?,26?,27-,28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of tetanus neurotoxin (TeNt) |
J Med Chem 42: 515-25 (1999)
Article DOI: 10.1021/jm981066w
BindingDB Entry DOI: 10.7270/Q2BC4075 |
More data for this
Ligand-Target Pair | |
Tetanus toxin
(Clostridium tetani) | BDBM50073679
((S)-1-{(S)-[(S)-1-[(S)-1-Benzylcarbamoyl-2-(3H-imi...)Show SMILES NS(=O)(=O)CC[C@H]([NH3+])[C@H](S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C27H35N7O6S2/c28-21(10-11-42(29,39)40)24(41)27(38)34-22(12-17-6-8-20(35)9-7-17)26(37)33-23(13-19-15-30-16-32-19)25(36)31-14-18-4-2-1-3-5-18/h1-9,15-16,21-24,35,41H,10-14,28H2,(H,30,32)(H,31,36)(H,33,37)(H,34,38)(H2,29,39,40)/p+1/t21-,22-,23-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of tetanus neurotoxin (TeNt) |
J Med Chem 42: 515-25 (1999)
Article DOI: 10.1021/jm981066w
BindingDB Entry DOI: 10.7270/Q2BC4075 |
More data for this
Ligand-Target Pair | |
Tetanus toxin
(Clostridium tetani) | BDBM50073675
((1S,2S)-2-[1-[1-Benzylcarbamoyl-2-(1H-imidazol-4-y...)Show SMILES NS(=O)(=O)c1cccc(c1)[C@H]([NH3+])[C@H](S)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1cnc[nH]1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C31H35N7O6S2/c32-27(21-7-4-8-24(14-21)46(33,43)44)28(45)31(42)38-25(13-19-9-11-23(39)12-10-19)30(41)37-26(15-22-17-34-18-36-22)29(40)35-16-20-5-2-1-3-6-20/h1-12,14,17-18,25-28,39,45H,13,15-16,32H2,(H,34,36)(H,35,40)(H,37,41)(H,38,42)(H2,33,43,44)/p+1/t25?,26?,27-,28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of tetanus neurotoxin (TeNt) |
J Med Chem 42: 515-25 (1999)
Article DOI: 10.1021/jm981066w
BindingDB Entry DOI: 10.7270/Q2BC4075 |
More data for this
Ligand-Target Pair | |
Tetanus toxin
(Clostridium tetani) | BDBM50073674
((S)-1-{(S)-[(S)-1-[(S)-1-Carboxy-2-(3H-imidazol-4-...)Show SMILES NS(=O)(=O)CC[C@H]([NH3+])[C@H](S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O Show InChI InChI=1S/C20H28N6O7S2/c21-14(5-6-35(22,32)33)17(34)19(29)25-15(7-11-1-3-13(27)4-2-11)18(28)26-16(20(30)31)8-12-9-23-10-24-12/h1-4,9-10,14-17,27,34H,5-8,21H2,(H,23,24)(H,25,29)(H,26,28)(H,30,31)(H2,22,32,33)/p+1/t14-,15-,16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of tetanus neurotoxin (TeNt) |
J Med Chem 42: 515-25 (1999)
Article DOI: 10.1021/jm981066w
BindingDB Entry DOI: 10.7270/Q2BC4075 |
More data for this
Ligand-Target Pair | |
Tetanus toxin
(Clostridium tetani) | BDBM50073680
(2-Mercapto-1-(3-sulfamoyl-phenyl)-ethyl-ammonium)Show InChI InChI=1S/C8H12N2O2S2/c9-8(5-13)6-2-1-3-7(4-6)14(10,11)12/h1-4,8,13H,5,9H2,(H2,10,11,12)/p+1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of tetanus neurotoxin (TeNt) |
J Med Chem 42: 515-25 (1999)
Article DOI: 10.1021/jm981066w
BindingDB Entry DOI: 10.7270/Q2BC4075 |
More data for this
Ligand-Target Pair | |
Tetanus toxin
(Clostridium tetani) | BDBM50073673
(N-[(2SR,3S)-3-Amino-5-carbamoyl-2-sulfanylpentanoy...)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)C(S)[C@@H]([NH3+])CCC(=O)ON)C(=O)N[C@@H](CO)C(O)=O Show InChI InChI=1S/C27H40N6O12S/c1-13(35)21(25(41)32-18(12-34)27(43)44)33-23(39)16(8-9-19(36)37)30-24(40)17(11-14-5-3-2-4-6-14)31-26(42)22(46)15(28)7-10-20(38)45-29/h2-6,13,15-18,21-22,34-35,46H,7-12,28-29H2,1H3,(H,30,40)(H,31,42)(H,32,41)(H,33,39)(H,36,37)(H,43,44)/p+1/t13-,15+,16+,17-,18+,21+,22?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of tetanus neurotoxin (TeNt) |
J Med Chem 42: 515-25 (1999)
Article DOI: 10.1021/jm981066w
BindingDB Entry DOI: 10.7270/Q2BC4075 |
More data for this
Ligand-Target Pair | |
Tetanus toxin
(Clostridium tetani) | BDBM50073677
(N-[(2SR,3S)-3-Amino-5-carbamoyl-2-sulfanylpentanoy...)Show SMILES NOC(=O)CC[C@H]([NH3+])C(S)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C20H28N4O8S/c21-12(6-9-16(27)32-22)17(33)19(29)24-14(10-11-4-2-1-3-5-11)18(28)23-13(20(30)31)7-8-15(25)26/h1-5,12-14,17,33H,6-10,21-22H2,(H,23,28)(H,24,29)(H,25,26)(H,30,31)/p+1/t12-,13-,14+,17?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of tetanus neurotoxin (TeNt) |
J Med Chem 42: 515-25 (1999)
Article DOI: 10.1021/jm981066w
BindingDB Entry DOI: 10.7270/Q2BC4075 |
More data for this
Ligand-Target Pair | |
Tetanus toxin
(Clostridium tetani) | BDBM50073676
(N-[(2SR,3S)-3-Amino-5-carbamoyl-2-sulfanylpentanoy...)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)C(S)[C@@H]([NH3+])CCC(=O)ON)C(O)=O Show InChI InChI=1S/C24H35N5O10S/c1-12(30)19(24(37)38)29-21(34)15(8-9-17(31)32)27-22(35)16(11-13-5-3-2-4-6-13)28-23(36)20(40)14(25)7-10-18(33)39-26/h2-6,12,14-16,19-20,30,40H,7-11,25-26H2,1H3,(H,27,35)(H,28,36)(H,29,34)(H,31,32)(H,37,38)/p+1/t12-,14+,15+,16-,19+,20?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of tetanus neurotoxin (TeNt) |
J Med Chem 42: 515-25 (1999)
Article DOI: 10.1021/jm981066w
BindingDB Entry DOI: 10.7270/Q2BC4075 |
More data for this
Ligand-Target Pair | |
Tetanus toxin
(Clostridium tetani) | BDBM50073667
(N-[(2SR,3S)-3-Amino-5-carbamoyl-2-sulfanylpentanoy...)Show SMILES NOC(=O)CC[C@H]([NH3+])C(S)C(=O)N[C@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C15H21N3O5S/c16-10(6-7-12(19)23-17)13(24)14(20)18-11(15(21)22)8-9-4-2-1-3-5-9/h1-5,10-11,13,24H,6-8,16-17H2,(H,18,20)(H,21,22)/p+1/t10-,11+,13?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of tetanus neurotoxin (TeNt) |
J Med Chem 42: 515-25 (1999)
Article DOI: 10.1021/jm981066w
BindingDB Entry DOI: 10.7270/Q2BC4075 |
More data for this
Ligand-Target Pair | |
Tetanus toxin
(Clostridium tetani) | BDBM50073666
((R)-1-Mercaptomethyl-3-sulfamoyl-propyl-ammonium)Show InChI InChI=1S/C4H12N2O2S2/c5-4(3-9)1-2-10(6,7)8/h4,9H,1-3,5H2,(H2,6,7,8)/p+1/t4-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of tetanus neurotoxin (TeNt) |
J Med Chem 42: 515-25 (1999)
Article DOI: 10.1021/jm981066w
BindingDB Entry DOI: 10.7270/Q2BC4075 |
More data for this
Ligand-Target Pair | |
Tetanus toxin
(Clostridium tetani) | BDBM50073672
((R)-3-Carbamoyl-1-mercaptomethyl-propyl-ammonium)Show InChI InChI=1S/C5H12N2OS/c6-4(3-9)1-2-5(7)8/h4,9H,1-3,6H2,(H2,7,8)/p+1/t4-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of tetanus neurotoxin (TeNt) |
J Med Chem 42: 515-25 (1999)
Article DOI: 10.1021/jm981066w
BindingDB Entry DOI: 10.7270/Q2BC4075 |
More data for this
Ligand-Target Pair | |
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