BDBM50052443 CHEMBL320485::Phenyl-acetic acid (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-[2-(4-hydroxy-3-methoxy-phenyl)-acetoxymethyl]-1,1,6,8-tetramethyl-5-oxo-9-phenylacetoxy-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl ester
SMILES: COc1cc(CC(=O)OCC2=C[C@H]3[C@@H]4C(C)(C)[C@]4(OC(=O)Cc4ccccc4)[C@H](OC(=O)Cc4ccccc4)[C@@H](C)[C@]3(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)ccc1O
InChI Key: InChIKey=XTIFRUGIBNHHRI-GTCPXKHVSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Vanilloid receptor (Rattus norvegicus (rat)) | BDBM50052443 (CHEMBL320485 | Phenyl-acetic acid (1aR,1bS,4aR,7aS...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute Curated by ChEMBL | Assay Description Displacement of [3H]RTX from Vanilloid receptor in Rat spinal cord membranes | J Med Chem 39: 3123-31 (1996) Article DOI: 10.1021/jm960063l BindingDB Entry DOI: 10.7270/Q2VT1SRD | |||||||||||
More data for this Ligand-Target Pair |