BDBM50534438 CHEMBL4447349
SMILES: Oc1cc(\C=C\C(=O)OCc2ccccc2)cc(c1O)[N+]([O-])=O
InChI Key: InChIKey=PNWJBLQUWZHYLS-VOTSOKGWSA-N
Data: 3 IC50
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)) | BDBM50534438 (CHEMBL4447349) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 52 | 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 | |||||||||||||
Catechol O-methyltransferase (Rattus norvegicus (Rat)) | BDBM50534438 (CHEMBL4447349) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.90 | 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 | |||||||||||||
Catechol O-methyltransferase (Rattus norvegicus (Rat)) | BDBM50534438 (CHEMBL4447349) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.90 | 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 |