BDBM50121977 2-(3,4-Dimethoxy-phenyl)-5-[2-(3,4-dimethoxy-phenyl)-ethylamino]-2-isopropyl-pentanenitrile::CHEMBL1298::Norverapamil (6%)
SMILES COc1ccc(CCNCCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
InChI Key InChIKey=UPKQNCPKPOLASS-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 7 hits for monomerid = 50121977
Affinity DataKi: 2.11E+3nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylation using human liver microsomesMore data for this Ligand-Target Pair
Affinity DataKi: 4.53E+3nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A5 measured by testosterone hydroxylationMore data for this Ligand-Target Pair
Affinity DataKi: 5.89E+3nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylation using a recombinant systemMore data for this Ligand-Target Pair
Affinity DataKi: 1.03E+4nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 using expressed CYP3A4 cDNAMore data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy Of Sciences
Curated by ChEMBL
Bulgarian Academy Of Sciences
Curated by ChEMBL
Affinity DataIC50: 4.24E+3nMAssay Description:Concentration required for 50% inhibition at binding site of human P-Glycoprotein (P-gp) in one-affinity modelMore data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy Of Sciences
Curated by ChEMBL
Bulgarian Academy Of Sciences
Curated by ChEMBL
Affinity DataIC50: 300nMAssay Description:TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 5 uM) in Caco-2 cellsMore data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy Of Sciences
Curated by ChEMBL
Bulgarian Academy Of Sciences
Curated by ChEMBL
Affinity DataIC50: 900nMAssay Description:TP_TRANSPORTER: inhibition of Daunorubicin efflux in NIH-3T3-G185 cellsMore data for this Ligand-Target Pair