BDBM50315221 (2-amino-3-methylbutanoyloxy)methyl 3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylate::CHEMBL1091982
SMILES: CC(C)C(N)C(=O)OCOC(=O)c1sc2c(c(O)c(O)cc2c1Cl)[N+]([O-])=O
InChI Key: InChIKey=BTJOOLLSNFXUAQ-UHFFFAOYSA-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 |
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Catechol O-methyltransferase (MB-COMT) (Homo sapiens (Human)) | BDBM50315221 ((2-amino-3-methylbutanoyloxy)methyl 3-chloro-5,6-d...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Eastern Finland Curated by ChEMBL | Assay Description Inhibition of human recombinant COMT by microplate screening assay | Bioorg Med Chem Lett 20: 2614-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.057 BindingDB Entry DOI: 10.7270/Q2CZ379R | |||||||||||
More data for this Ligand-Target Pair |