Found 11 hits with Last Name = 'alves' and Initial = 'pc' 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 |
Catechol O-methyltransferase
(Rattus norvegicus (Rat)) | BDBM50108877
((3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone |...)Show SMILES Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Research & Development
Curated by ChEMBL
| Assay Description Inhibition of Catechol O-methyltransferase activity in rat brain |
J Med Chem 45: 685-95 (2002)
BindingDB Entry DOI: 10.7270/Q2TT4Q84 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Catechol O-methyltransferase
(Rattus norvegicus (Rat)) | BDBM50108878
(1-(3,4-Dihydroxy-5-nitro-phenyl)-2-phenyl-ethanone...)Show InChI InChI=1S/C14H11NO5/c16-12(6-9-4-2-1-3-5-9)10-7-11(15(19)20)14(18)13(17)8-10/h1-5,7-8,17-18H,6H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Research & Development
Curated by ChEMBL
| Assay Description Inhibition of Catechol O-methyltransferase activity in rat brain |
J Med Chem 45: 685-95 (2002)
BindingDB Entry DOI: 10.7270/Q2TT4Q84 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Catechol O-methyltransferase
(Rattus norvegicus (Rat)) | BDBM50108879
((2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-d...)Show SMILES CCN(CC)C(=O)C(=C\c1cc(O)c(O)c(c1)[N+]([O-])=O)\C#N Show InChI InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | 12.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Research & Development
Curated by ChEMBL
| Assay Description Inhibition of Catechol O-methyltransferase activity in rat brain |
J Med Chem 45: 685-95 (2002)
BindingDB Entry DOI: 10.7270/Q2TT4Q84 |
More data for this Ligand-Target Pair | |
Sodium channel protein type 1/2/3 subunit alpha
(Rattus norvegicus) | BDBM50472303
(CHEMBL314266)Show InChI InChI=1S/C17H16N2O3/c1-11(20)22-16-10-12-6-2-4-8-14(12)19(17(18)21)15-9-5-3-7-13(15)16/h2-9,16H,10H2,1H3,(H2,18,21)/t16-/m1/s1 | PDB
UniProtKB/SwissProt
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PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <1.13E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
BIAL
Curated by ChEMBL
| Assay Description Displacement of [3H]BTX from voltage-gated sodium channel of rat cortical synaptosomes |
J Med Chem 42: 2582-7 (1999)
Article DOI: 10.1021/jm980627g BindingDB Entry DOI: 10.7270/Q2QN69GZ |
More data for this Ligand-Target Pair | |
Sodium channel protein type 1/2/3 subunit alpha
(Rattus norvegicus) | BDBM50240669
(Acetic acid (S)-5-carbamoyl-10,11-dihydro-5H-diben...)Show InChI InChI=1S/C17H16N2O3/c1-11(20)22-16-10-12-6-2-4-8-14(12)19(17(18)21)15-9-5-3-7-13(15)16/h2-9,16H,10H2,1H3,(H2,18,21)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | <1.38E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
BIAL
Curated by ChEMBL
| Assay Description Displacement of [3H]BTX from voltage-gated sodium channel of rat cortical synaptosomes |
J Med Chem 42: 2582-7 (1999)
Article DOI: 10.1021/jm980627g BindingDB Entry DOI: 10.7270/Q2QN69GZ |
More data for this Ligand-Target Pair | |
Sodium channel protein type 1/2/3 subunit alpha
(Rattus norvegicus) | BDBM50472302
(CHEMBL315644)Show InChI InChI=1S/C17H16N2O3/c1-11(20)22-16-10-12-6-2-4-8-14(12)19(17(18)21)15-9-5-3-7-13(15)16/h2-9,16H,10H2,1H3,(H2,18,21) | PDB
UniProtKB/SwissProt
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PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <1.41E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
BIAL
Curated by ChEMBL
| Assay Description Displacement of [3H]BTX from voltage-gated sodium channel of rat cortical synaptosomes |
J Med Chem 42: 2582-7 (1999)
Article DOI: 10.1021/jm980627g BindingDB Entry DOI: 10.7270/Q2QN69GZ |
More data for this Ligand-Target Pair | |
Sodium channel protein type 1/2/3 subunit alpha
(Rattus norvegicus) | BDBM34179
(CHEMBL1068 | MLS000084586 | OXCARBAZEPINE | SMR000...)Show InChI InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | <1.61E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
BIAL
Curated by ChEMBL
| Assay Description Displacement of [3H]BTX from voltage-gated sodium channel of rat cortical synaptosomes |
J Med Chem 42: 2582-7 (1999)
Article DOI: 10.1021/jm980627g BindingDB Entry DOI: 10.7270/Q2QN69GZ |
More data for this Ligand-Target Pair | |
Sodium channel protein type 1/2/3 subunit alpha
(Rattus norvegicus) | BDBM50003659
(5H-dibenzo[b,f]azepine-5-carboxamide | CARBAMAZEPI...)Show InChI InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
BIAL
Curated by ChEMBL
| Assay Description Displacement of [3H]BTX from voltage-gated sodium channel of rat cortical synaptosomes |
J Med Chem 42: 2582-7 (1999)
Article DOI: 10.1021/jm980627g BindingDB Entry DOI: 10.7270/Q2QN69GZ |
More data for this Ligand-Target Pair | |
Catechol O-methyltransferase
(Rattus norvegicus (Rat)) | BDBM50108878
(1-(3,4-Dihydroxy-5-nitro-phenyl)-2-phenyl-ethanone...)Show InChI InChI=1S/C14H11NO5/c16-12(6-9-4-2-1-3-5-9)10-7-11(15(19)20)14(18)13(17)8-10/h1-5,7-8,17-18H,6H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 6.96E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Research & Development
Curated by ChEMBL
| Assay Description Inhibition of Catechol O-methyltransferase activity in rat liver |
J Med Chem 45: 685-95 (2002)
BindingDB Entry DOI: 10.7270/Q2TT4Q84 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Catechol O-methyltransferase
(Rattus norvegicus (Rat)) | BDBM50108877
((3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone |...)Show SMILES Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | 9.27E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Research & Development
Curated by ChEMBL
| Assay Description Inhibition of Catechol O-methyltransferase activity in rat liver |
J Med Chem 45: 685-95 (2002)
BindingDB Entry DOI: 10.7270/Q2TT4Q84 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Catechol O-methyltransferase
(Rattus norvegicus (Rat)) | BDBM50108879
((2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-d...)Show SMILES CCN(CC)C(=O)C(=C\c1cc(O)c(O)c(c1)[N+]([O-])=O)\C#N Show InChI InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.32E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Research & Development
Curated by ChEMBL
| Assay Description Inhibition of Catechol O-methyltransferase activity in rat liver |
J Med Chem 45: 685-95 (2002)
BindingDB Entry DOI: 10.7270/Q2TT4Q84 |
More data for this Ligand-Target Pair | |