BDBM50221851 (1R,2R,3S,4S,5R,6R,7R,8S,9S)-3,4,8-tris(acetyloxy)-7-(benzoyloxy)-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0^{1,6}]dodecan-5-yl benzoate::CHEMBL414559
SMILES: CC(=O)O[C@H]1[C@@H]2C[C@]3(OC2(C)C)[C@](C)(O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(=O)c2ccccc2)[C@@]3(C)[C@H]1OC(=O)c1ccccc1
InChI Key: InChIKey=NDGYPTLRFYJRBP-SCIPUONTSA-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)) | BDBM50221851 ((1R,2R,3S,4S,5R,6R,7R,8S,9S)-3,4,8-tris(acetyloxy)...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.27E+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 |