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

Data  4 KI  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50121977   

TargetCytochrome P450 3A4(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50121977(2-(3,4-Dimethoxy-phenyl)-5-[2-(3,4-dimethoxy-pheny...)
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
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A5(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50121977(2-(3,4-Dimethoxy-phenyl)-5-[2-(3,4-dimethoxy-pheny...)
Affinity DataKi:  4.53E+3nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A5 measured by testosterone hydroxylationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50121977(2-(3,4-Dimethoxy-phenyl)-5-[2-(3,4-dimethoxy-pheny...)
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
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50121977(2-(3,4-Dimethoxy-phenyl)-5-[2-(3,4-dimethoxy-pheny...)
Affinity DataKi:  1.03E+4nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 using expressed CYP3A4 cDNAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50121977(2-(3,4-Dimethoxy-phenyl)-5-[2-(3,4-dimethoxy-pheny...)
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
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50121977(2-(3,4-Dimethoxy-phenyl)-5-[2-(3,4-dimethoxy-pheny...)
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
In DepthDetails PubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50121977(2-(3,4-Dimethoxy-phenyl)-5-[2-(3,4-dimethoxy-pheny...)
Affinity DataIC50:  900nMAssay Description:TP_TRANSPORTER: inhibition of Daunorubicin efflux in NIH-3T3-G185 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed