BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 7 hits of ki for UniProtKB: P22734   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Catechol-O-methyltransferase


(Rattus norvegicus (Rat))
BDBM50019329
PNG
(CHEMBL1089318)
Show SMILES Cc1c(Cl)c(C)[n+]([O-])c(Cl)c1-c1noc(n1)-c1cc(O)c(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H10Cl2N4O6/c1-5-10(13(17)20(24)6(2)11(5)16)14-18-15(27-19-14)7-3-8(21(25)26)12(23)9(22)4-7/h3-4,22-23H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of rat COMT expressed in Escherichia coli using [3H]-S-adenosylmethionine as substrate after 20 mins by liquid scint...


J Med Chem 57: 5459-63 (2014)


Article DOI: 10.1021/jm500475k
BindingDB Entry DOI: 10.7270/Q2G73G9B
More data for this
Ligand-Target Pair
Catechol-O-methyltransferase


(Rattus norvegicus (Rat))
BDBM50019331
PNG
(CHEMBL3289430)
Show SMILES Cc1nn(C)cc1-c1cc[nH]n1
Show InChI InChI=1S/C8H10N4/c1-6-7(5-12(2)11-6)8-3-4-9-10-8/h3-5H,1-2H3,(H,9,10)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
1.58E+5n/an/an/an/an/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of rat COMT expressed in Escherichia coli using [3H]-S-adenosylmethionine as substrate after 20 mins by liquid scint...


J Med Chem 57: 5459-63 (2014)


Article DOI: 10.1021/jm500475k
BindingDB Entry DOI: 10.7270/Q2G73G9B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Catechol-O-methyltransferase


(Rattus norvegicus (Rat))
BDBM50012672
PNG
(2-(5,6-Dihydroxy-1H-indol-3-yl)-ethyl-ammonium | 2...)
Show SMILES NCCc1c[nH]c2cc(O)c(O)cc12
Show InChI InChI=1S/C10H12N2O2/c11-2-1-6-5-12-8-4-10(14)9(13)3-7(6)8/h3-5,12-14H,1-2,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.28E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic constants for the inactivation of Catechol O-methyltransferase by the compound


J Med Chem 25: 263-71 (1982)


Article DOI: 10.1021/jm00345a013
BindingDB Entry DOI: 10.7270/Q2G15ZV0
More data for this
Ligand-Target Pair
Catechol-O-methyltransferase


(Rattus norvegicus (Rat))
BDBM50028545
PNG
(7-Methyl-1H-indole-5,6-diol | CHEMBL431031)
Show SMILES Cc1c(O)c(O)cc2cc[nH]c12
Show InChI InChI=1S/C9H9NO2/c1-5-8-6(2-3-10-8)4-7(11)9(5)12/h2-4,10-12H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEBI
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.14E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic constants for the inactivation of Catechol O-methyltransferase by the compound


J Med Chem 25: 263-71 (1982)


Article DOI: 10.1021/jm00345a013
BindingDB Entry DOI: 10.7270/Q2G15ZV0
More data for this
Ligand-Target Pair
Catechol-O-methyltransferase


(Rattus norvegicus (Rat))
BDBM50028548
PNG
(1H-indole-5,6-diol | 5,6-dihydroxyindole | CHEMBL9...)
Show SMILES Oc1cc2cc[nH]c2cc1O
Show InChI InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9-11H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
3.46E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic constants for the inactivation of Catechol O-methyltransferase by the compound


J Med Chem 25: 263-71 (1982)


Article DOI: 10.1021/jm00345a013
BindingDB Entry DOI: 10.7270/Q2G15ZV0
More data for this
Ligand-Target Pair
Catechol-O-methyltransferase


(Rattus norvegicus (Rat))
BDBM50028546
PNG
(4,7-Dimethyl-1H-indole-5,6-diol | CHEMBL90203)
Show SMILES Cc1c(O)c(O)c(C)c2[nH]ccc12
Show InChI InChI=1S/C10H11NO2/c1-5-7-3-4-11-8(7)6(2)10(13)9(5)12/h3-4,11-13H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEBI
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.26E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic constants for the inactivation of Catechol O-methyltransferase by the compound


J Med Chem 25: 263-71 (1982)


Article DOI: 10.1021/jm00345a013
BindingDB Entry DOI: 10.7270/Q2G15ZV0
More data for this
Ligand-Target Pair
Catechol-O-methyltransferase


(Rattus norvegicus (Rat))
BDBM50028547
PNG
(4-Methyl-1H-indole-5,6-diol | CHEMBL90571)
Show SMILES Cc1c(O)c(O)cc2[nH]ccc12
Show InChI InChI=1S/C9H9NO2/c1-5-6-2-3-10-7(6)4-8(11)9(5)12/h2-4,10-12H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEBI
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.52E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic constants for the inactivation of Catechol O-methyltransferase by the compound


J Med Chem 25: 263-71 (1982)


Article DOI: 10.1021/jm00345a013
BindingDB Entry DOI: 10.7270/Q2G15ZV0
More data for this
Ligand-Target Pair