BDBM50275945 (1R,2R,4R,7bR,9R,11aR)-2,5,5,9,12,12-Hexamethyl-1,3,4,4a,5,8,9,10,11,11a,12,14b-dodecahydro-2H,7bH-benzo[c]isochromeno[3,4-g]chromene-7,14-dione::CHEMBL513403
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)C1=C(OC2(C)C)C(=O)C2=C(OC(C)(C)[C@@H]3CC[C@@H](C)C[C@@H]23)C1=O
InChI Key: InChIKey=PREXAGWWLAMIAK-TYENPDHQSA-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)) | BDBM50275945 ((1R,2R,4R,7bR,9R,11aR)-2,5,5,9,12,12-Hexamethyl-1,...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto Universitario de Bio-Orgánica Antonio González Curated by ChEMBL | Assay Description Inhibition of human MDR1 overexpressed in mouse NIH/3T3 cells assessed as daunorubicin accumulation by flow cytometry | J Med Chem 51: 7132-43 (2009) Article DOI: 10.1021/jm800403b BindingDB Entry DOI: 10.7270/Q2TB16R7 | |||||||||||
More data for this Ligand-Target Pair |