Found 7 hits of Enzyme Inhibition Constant Data 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 |
|---|
S-adenosylmethionine decarboxylase proenzyme
(Homo sapiens (Human)) | BDBM50366321
(CHEMBL3392203 | CHEMBL606101)Show SMILES OS(O)(=O)=O.OS([O-])(=O)=O.C[S+](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C1C[C@@H](N)C=C1 |r,c:35| Show InChI InChI=1S/C16H23N6O3S/c1-26(9-3-2-8(17)4-9)5-10-12(23)13(24)16(25-10)22-7-21-11-14(18)19-6-20-15(11)22/h2-3,6-10,12-13,16,23-24H,4-5,17H2,1H3,(H2,18,19,20)/q+1/p+1/t8-,9?,10+,12+,13+,16?,26?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for irreversible inhibitory activity against AdoMet-DC (S-adenosyl-methionine decarboxylase-) isolated from Escherichia coli |
Bioorg Med Chem Lett 3: 147-152 (1993)
Article DOI: 10.1016/S0960-894X(01)80865-9
BindingDB Entry DOI: 10.7270/Q2PR7WG3 |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine decarboxylase proenzyme
(Homo sapiens (Human)) | BDBM50366318
(CHEMBL3392208 | CHEMBL605698)Show SMILES OS(O)(=O)=O.Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSC2CCNC2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H20N6O3S/c15-12-9-13(18-5-17-12)20(6-19-9)14-11(22)10(21)8(23-14)4-24-7-1-2-16-3-7/h5-8,10-11,14,16,21-22H,1-4H2,(H2,15,17,18)/t7?,8-,10-,11-,14?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 4.15E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for irreversible inhibitory activity against AdoMet-DC (S-adenosyl-methionine decarboxylase-) isolated from Escherichia coli |
Bioorg Med Chem Lett 3: 147-152 (1993)
Article DOI: 10.1016/S0960-894X(01)80865-9
BindingDB Entry DOI: 10.7270/Q2PR7WG3 |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine decarboxylase proenzyme
(Homo sapiens (Human)) | BDBM50366320
(CHEMBL3392206 | CHEMBL605899)Show SMILES OS(O)(=O)=O.Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CS[C@@H]2CN[C@@H](C2)C(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H20N6O5S/c16-12-9-13(19-4-18-12)21(5-20-9)14-11(23)10(22)8(26-14)3-27-6-1-7(15(24)25)17-2-6/h4-8,10-11,14,17,22-23H,1-3H2,(H,24,25)(H2,16,18,19)/t6-,7+,8-,10-,11-,14?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 4.78E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for irreversible inhibitory activity against AdoMet-DC (S-adenosyl-methionine decarboxylase-) isolated from Escherichia coli |
Bioorg Med Chem Lett 3: 147-152 (1993)
Article DOI: 10.1016/S0960-894X(01)80865-9
BindingDB Entry DOI: 10.7270/Q2PR7WG3 |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine decarboxylase proenzyme
(Homo sapiens (Human)) | BDBM50366317
(CHEMBL3392204 | CHEMBL606102)Show SMILES OS(O)(=O)=O.OS([O-])(=O)=O.C[S+](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C1CCNC1 |r| Show InChI InChI=1S/C15H23N6O3S/c1-25(8-2-3-17-4-8)5-9-11(22)12(23)15(24-9)21-7-20-10-13(16)18-6-19-14(10)21/h6-9,11-12,15,17,22-23H,2-5H2,1H3,(H2,16,18,19)/q+1/p+1/t8?,9-,11-,12-,15?,25?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 6.69E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for irreversible inhibitory activity against AdoMet-DC (S-adenosyl-methionine decarboxylase-) isolated from Escherichia coli |
Bioorg Med Chem Lett 3: 147-152 (1993)
Article DOI: 10.1016/S0960-894X(01)80865-9
BindingDB Entry DOI: 10.7270/Q2PR7WG3 |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine decarboxylase proenzyme
(Homo sapiens (Human)) | BDBM50366316
(CHEMBL3392209 | CHEMBL605267)Show SMILES OS(O)(=O)=O.Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CS[C@H]2CN[C@@H](C2)C(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H20N6O5S/c16-12-9-13(19-4-18-12)21(5-20-9)14-11(23)10(22)8(26-14)3-27-6-1-7(15(24)25)17-2-6/h4-8,10-11,14,17,22-23H,1-3H2,(H,24,25)(H2,16,18,19)/t6-,7-,8+,10+,11+,14?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 9.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for irreversible inhibitory activity against AdoMet-DC (S-adenosyl-methionine decarboxylase-) isolated from Escherichia coli |
Bioorg Med Chem Lett 3: 147-152 (1993)
Article DOI: 10.1016/S0960-894X(01)80865-9
BindingDB Entry DOI: 10.7270/Q2PR7WG3 |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine decarboxylase proenzyme
(Homo sapiens (Human)) | BDBM50366319
(CHEMBL1791405 | CHEMBL3392205)Show SMILES OS(O)(=O)=O.OS([O-])(=O)=O.C[S+](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C1CN[C@@H](C1)C(O)=O |r| Show InChI InChI=1S/C16H22N6O5S/c1-28(7-2-8(16(25)26)18-3-7)4-9-11(23)12(24)15(27-9)22-6-21-10-13(17)19-5-20-14(10)22/h5-9,11-12,15,18,23-24H,2-4H2,1H3,(H2-,17,19,20,25,26)/p+2/t7-,8+,9-,11-,12-,15-,28?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.07E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for irreversible inhibitory activity against AdoMet-DC (S-adenosyl-methionine decarboxylase-) isolated from Escherichia coli |
Bioorg Med Chem Lett 3: 147-152 (1993)
Article DOI: 10.1016/S0960-894X(01)80865-9
BindingDB Entry DOI: 10.7270/Q2PR7WG3 |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine decarboxylase proenzyme
(Homo sapiens (Human)) | BDBM50366319
(CHEMBL1791405 | CHEMBL3392205)Show SMILES OS(O)(=O)=O.OS([O-])(=O)=O.C[S+](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C1CN[C@@H](C1)C(O)=O |r| Show InChI InChI=1S/C16H22N6O5S/c1-28(7-2-8(16(25)26)18-3-7)4-9-11(23)12(24)15(27-9)22-6-21-10-13(17)19-5-20-14(10)22/h5-9,11-12,15,18,23-24H,2-4H2,1H3,(H2-,17,19,20,25,26)/p+2/t7-,8+,9-,11-,12-,15-,28?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.07E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for irreversible inhibitory activity against AdoMet-DC (S-adenosyl-methionine decarboxylase-) isolated from Escherichia coli |
Bioorg Med Chem Lett 3: 147-152 (1993)
Article DOI: 10.1016/S0960-894X(01)80865-9
BindingDB Entry DOI: 10.7270/Q2PR7WG3 |
More data for this
Ligand-Target Pair | |
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