BDBM50153727 CHEMBL3774695
SMILES: [H][C@@]12[C@@H](OC(=O)c3cccnc3)[C@]3(OC1(C)C)[C@@](C)(O)CC[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(=O)c1ccccc1)[C@H]2OC(=O)\C=C\c1ccccc1
InChI Key: InChIKey=AFILIHBHKOYKSE-FVNVILKRSA-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)) | BDBM50153727 (CHEMBL3774695) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto Universitario de Bio-Org£nica"Antonio Gonz£lez" Curated by ChEMBL | Assay Description Inhibition of human MDR1 expressed in mouse NIH/3T3 cells assessed as inhibition of daunomycin efflux incubated for 30 mins by flow cytometry | J Med Chem 59: 1880-90 (2016) BindingDB Entry DOI: 10.7270/Q2CN75R5 | |||||||||||
More data for this Ligand-Target Pair |