BDBM50221860 CHEMBL233280::furan-2-carboxylic acid (1S,2R,4S,5R,6R,7S,9R,12R)-5-acetoxy-4-benzoyloxy-2,12-dihydroxy-2,6,10,10-tetramethyl-11-oxa-tricyclo[7.2.1.0*1,6*]dodec-7-yl ester
SMILES: CC(=O)O[C@H]1[C@H](C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3O)OC(=O)c1ccccc1
InChI Key: InChIKey=FOZBWZULAJBTRQ-PVVWQKAKSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50221860 (CHEMBL233280 | furan-2-carboxylic acid (1S,2R,4S,5...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto Universitario de Bio-OrgAnica Antonio GonzAlez Curated by ChEMBL | Assay Description Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay | J Med Chem 50: 4808-17 (2007) Article DOI: 10.1021/jm070290v BindingDB Entry DOI: 10.7270/Q2K35TCP | |||||||||||
More data for this Ligand-Target Pair |