BDBM50367028 CHEMBL553200
SMILES: COc1ccccc1CC[S+](C)CCC(N)C(O)=O
InChI Key: InChIKey=RFOIKRWTXUTCLS-UHFFFAOYSA-O
Data: 1 KI
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 (MB-COMT) (Homo sapiens (Human)) | BDBM50367028 (CHEMBL553200) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 5.80E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was tested for inhibition of Catechol O-methyltransferase using radiochemical assay | J Med Chem 24: 1271-7 (1982) BindingDB Entry DOI: 10.7270/Q26D5TJM | |||||||||||
More data for this Ligand-Target Pair |