BDBM50019331 CHEMBL3289430
SMILES: Cc1nn(C)cc1-c1cc[nH]n1
InChI Key: InChIKey=LNJKDWJFZASOPC-UHFFFAOYSA-N
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 (Homo sapiens (Human)) | BDBM50019331 (CHEMBL3289430) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars | Article PubMed | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc. Curated by ChEMBL | Assay Description Inhibition of catalytic activity of human cloned COMT expressed in Escherichia coli using [3H]-S-adenosylmethionine as substrate after 20 mins by liq... | 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 (CHEMBL3289430) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 1.58E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) | ||||||||||||
Catechol O-methyltransferase (Mus musculus) | BDBM50019331 (CHEMBL3289430) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 6.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc. Curated by ChEMBL | Assay Description Inhibition of catalytic activity of mouse COMT expressed in Escherichia coli using [3H]-S-adenosylmethionine as substrate after 20 mins by liquid sci... | 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 Structure (crystal) | ||||||||||||
Catechol O-methyltransferase (Homo sapiens (Human)) | BDBM50019331 (CHEMBL3289430) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 3.16E+4 | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc. Curated by ChEMBL | Assay Description Binding affinity to NHS-PEG4-Biotin-labeled human COMT after 1 hr by surface plasmon resonance assay | 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 |