Found 22 hits for monomerid = 50108877 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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 UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank 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) |
Lanosterol synthase
(Rattus norvegicus) | 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
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Lieber Institute for Brain Development
Curated by ChEMBL
| Assay Description Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate ... |
ACS Med Chem Lett 10: 1573-1578 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00345 |
More data for this Ligand-Target Pair | |
Krueppel-like factor 10
(Homo sapiens (Human)) | 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
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Beth Israel Deaconess Medical Center
Curated by ChEMBL
| Assay Description Inhibition of human KLF10 expressed in human HeLa cells assessed as reduction in transcriptional activity after 24 hrs by CACCC-responsive promoter d... |
J Med Chem 58: 1466-78 (2015)
Article DOI: 10.1021/jm5018187 BindingDB Entry DOI: 10.7270/Q2WM1G3D |
More data for this Ligand-Target Pair | |
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 UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Research & Development
Curated by ChEMBL
| Assay Description Inhibitory activity against COMT in rat brain |
J Med Chem 48: 8070-8 (2005)
Article DOI: 10.1021/jm0580454 BindingDB Entry DOI: 10.7270/Q23N22Z7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 930 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Research & Development
Curated by ChEMBL
| Assay Description Inhibitory activity against COMT in rat liver |
J Med Chem 48: 8070-8 (2005)
Article DOI: 10.1021/jm0580454 BindingDB Entry DOI: 10.7270/Q23N22Z7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bile salt export pump
(Rattus norvegicus) | 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 | KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.72E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up... |
Drug Metab Dispos 40: 130-8 (2011)
Article DOI: 10.1124/dmd.111.040758 BindingDB Entry DOI: 10.7270/Q20Z7500 |
More data for this Ligand-Target Pair | |
Bile salt export pump (BSEP)
(Homo sapiens (Human)) | 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
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake |
Drug Metab Dispos 40: 130-8 (2011)
Article DOI: 10.1124/dmd.111.040758 BindingDB Entry DOI: 10.7270/Q20Z7500 |
More data for this Ligand-Target Pair | |
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 UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank 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 |
School of Medicine of University of Electronic Science and Technology of China
Curated by ChEMBL
| Assay Description Inhibition of rat COMT |
Bioorg Med Chem 24: 1419-30 (2016)
BindingDB Entry DOI: 10.7270/Q22N5444 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Lanosterol synthase
(Rattus norvegicus) | 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
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | 127 | n/a | n/a | n/a | n/a | n/a | n/a |
Caprotec Bioanalytics GmbH
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-tagged soluble COMT expressed in Escherichia coli BL21 using aesculetin as substrate after 60 mins by microplate ... |
J Med Chem 59: 4664-75 (2016)
BindingDB Entry DOI: 10.7270/Q2WD42HW |
More data for this Ligand-Target Pair | |
Bile salt export pump
(Homo sapiens (Human)) | 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
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t... |
Toxicol Sci 118: 485-500 (2010)
Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN |
More data for this Ligand-Target Pair | |
Bile salt export pump
(Homo sapiens (Human)) | 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
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | <3.39E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Tested in vitro for dopamine(DA) neuronal uptake inhibition |
Drug Metab Dispos 40: 2332-41 (2012)
Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M |
More data for this Ligand-Target Pair | |
Canalicular multispecific organic anion transporter 2
(Homo sapiens (Human)) | 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 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | 8.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... |
Toxicol Sci 136: 216-41 (2013)
BindingDB Entry DOI: 10.7270/Q2JM2D2D |
More data for this Ligand-Target Pair | |
Bile salt export pump
(Homo sapiens (Human)) | 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
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | 3.66E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ... |
Toxicol Sci 136: 216-41 (2013)
BindingDB Entry DOI: 10.7270/Q2JM2D2D |
More data for this Ligand-Target Pair | |
Multidrug resistance-associated protein 4
(Homo sapiens (Human)) | 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 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... |
Toxicol Sci 136: 216-41 (2013)
BindingDB Entry DOI: 10.7270/Q2JM2D2D |
More data for this Ligand-Target Pair | |
Lanosterol synthase
(Rattus norvegicus) | 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
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1 | n/a | n/a | n/a | n/a | n/a | n/a |
Lieber Institute for Brain Development
Curated by ChEMBL
| Assay Description Inhibition of c-terminal hexa-His tagged human MB-COMT (unknown origin) |
J Med Chem 61: 9647-9665 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01126 BindingDB Entry DOI: 10.7270/Q2N300H8 |
More data for this Ligand-Target Pair | |
Transthyretin
(Homo sapiens (Human)) | 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
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a |
University of the Pacific
Curated by ChEMBL
| Assay Description Binding affinity to transthyretin (unknown origin) by ITC method |
J Med Chem 61: 7862-7876 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00817 BindingDB Entry DOI: 10.7270/Q2KP84SS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Transthyretin
(Homo sapiens (Human)) | 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
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a |
University of the Pacific
Curated by ChEMBL
| Assay Description Binding affinity to transthyretin V122I mutant (unknown origin) by ITC method |
J Med Chem 61: 7862-7876 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00817 BindingDB Entry DOI: 10.7270/Q2KP84SS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dengue virus type 2 NS3 protein
(Dengue virus 2) | 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
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
Queensland University of Technology
Curated by ChEMBL
| Assay Description Inhibition of DENV2 NS2B-NS3 serine protease expressed using Benzoyl-Nle-Lys-Arg-Arg-AMC as substrate measured preincubated for 3 mins followed by su... |
Eur J Med Chem 176: 431-455 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.010 |
More data for this Ligand-Target Pair | |
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 UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 0.910 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Porto
Curated by ChEMBL
| Assay Description Inhibition of MB-COMT in Wistar rat brain assessed as metanephrine formation preincubated for 20 mins followed by addition of adrenaline as substrate... |
J Med Chem 59: 7584-97 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00666 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Porto
Curated by ChEMBL
| Assay Description Inhibition of S-COMT in Wistar rat liver assessed as metanephrine formation preincubated for 20 mins followed by addition of adrenaline as substrate ... |
J Med Chem 59: 7584-97 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00666 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 0.912 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Porto
Curated by ChEMBL
| Assay Description Inhibition of MB-COMT in Wistar rat brain assessed as metanephrine formation preincubated for 20 mins followed by addition of adrenaline as substrate... |
J Med Chem 59: 7584-97 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00666 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank 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) |