BDBM50109782 6-Chloro-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethyl]-2-(4-dimethylamino-phenyl)-3H-quinazolin-4-one::CHEMBL346486
SMILES: COc1cc2CCN(CCn3c(nc4ccc(Cl)cc4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC
InChI Key: InChIKey=RHHCJOJPWGOQQN-UHFFFAOYSA-N
Data: 2 IC50
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 and 3 (MDR1a/MDR1b) (Mus musculus) | BDBM50109782 (6-Chloro-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoqui...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenova Ltd. Curated by ChEMBL | Assay Description Inhibitory activity against P-glyco-protein (Pgp) using accumulation assay for Pgp expressing EMT6/AR1.0 cells. | Bioorg Med Chem Lett 12: 571-4 (2002) BindingDB Entry DOI: 10.7270/Q2PV6JP9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human)) | BDBM50109782 (6-Chloro-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoqui...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenova Ltd. Curated by ChEMBL | Assay Description Inhibition of multidrug resistance associated protein type 1 (MRP1) assayed by an accumulation assay in COR.L23/R cells | Bioorg Med Chem Lett 12: 571-4 (2002) BindingDB Entry DOI: 10.7270/Q2PV6JP9 | |||||||||||
More data for this Ligand-Target Pair |