BDBM50221825 (1S,2R,4S,5R,6S,7R,8S,9R,12R)-4,12-bis(acetyloxy)-5,8-bis(benzoyloxy)-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0^{1,6}]dodecan-7-yl benzoate::CHEMBL412967
SMILES: CC(=O)O[C@@H]1[C@H]2[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](OC(=O)c4ccccc4)[C@H](C[C@@](C)(O)[C@@]13OC2(C)C)OC(C)=O
InChI Key: InChIKey=XLYDCSRKHWFINQ-BCEZJGSMSA-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)) | BDBM50221825 ((1S,2R,4S,5R,6S,7R,8S,9R,12R)-4,12-bis(acetyloxy)-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 910 | 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 |