BDBM50367030 CHEMBL539878
SMILES: C[S+](CCc1ccccc1)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
InChI Key: InChIKey=HPNIIPUDVRUPLN-LPNCQTCBSA-N
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)) | BDBM50367030 (CHEMBL539878) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 8.00E+5 | 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 |