BDBM50275948 (4R,13S,19R,28R)-8,23-dimethoxy-14,14,29,29-tetramethyl-11,15,27,30-tetraoxaheptacyclo[16.12.0.0^{3,16}.0^{4,13}.0^{5,10}.0^{19,28}.0^{20,25}]triaconta-1(18),3(16),5(10),6,8,20(25),21,23-octaene-2,17-dione::CHEMBL450343
SMILES: COc1ccc2[C@H]3[C@@H](OCc2c1)C(C)(C)OC1=C3C(=O)C2=C([C@@H]3[C@@H](COc4cc(OC)ccc34)C(C)(C)O2)C1=O
InChI Key: InChIKey=ZZIRBQNWSLYJHC-DQVREFFXSA-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)) | BDBM50275948 ((4R,13S,19R,28R)-8,23-dimethoxy-14,14,29,29-tetram...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 510 | 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 |