BDBM50052327 6-hydroxy-15-isopropenyl-4,13,17-trimethyl-5-oxo-(1R,2S,6R,10S,11R,15R,17R)-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-ylmethyl 2-(4-hydroxy-3-methoxyphenyl)acetate::CHEMBL99940
SMILES: COc1cc(CC(=O)OCC2=C[C@H]3C4OC5(O[C@@]4(C[C@@H](C)C3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)c2ccccc2)ccc1O
InChI Key: InChIKey=BRZYASQVHGGCBU-FNYZDZCUSA-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)) | BDBM50052327 (6-hydroxy-15-isopropenyl-4,13,17-trimethyl-5-oxo-(...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute for Medical Research Curated by ChEMBL | Assay Description Binding affinity against Vanilloid receptor in dorsal Root Ganglion (DRG) membranes using [3H]RTX binding assay. | J Med Chem 39: 2939-52 (1996) Article DOI: 10.1021/jm960139d BindingDB Entry DOI: 10.7270/Q2CV4JD5 | |||||||||||
More data for this Ligand-Target Pair |