BDBM50310823 CHEMBL1078442::bergamottin

SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2cc2oc(=O)ccc12

InChI Key InChIKey=DBMJZOMNXBSRED-OQLLNIDSSA-N

Data  9 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50310823   

TargetBeta-secretase 1(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50310823(CHEMBL1078442 | bergamottin)
Affinity DataKi:  700nMAssay Description:Inhibition of recombinant human BACE1 assessed as dissociation constant of enzyme-substrate-inhibitor complex using Rh-EVNLDAEFK as substrate by Dixo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B1(Rattus norvegicus)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50310823(CHEMBL1078442 | bergamottin)
Affinity DataKi:  2.40E+3nMAssay Description:Mechanism based inhibition of rat cytochrome P450 2B1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B4(Oryctolagus cuniculus)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50310823(CHEMBL1078442 | bergamottin)
Affinity DataKi:  2.80E+3nMAssay Description:Mechanism based inhibition of rabbit cytochrome P450 2B4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50310823(CHEMBL1078442 | bergamottin)
Affinity DataKi:  5.20E+3nMAssay Description:Mechanism based inhibition of human cytochrome P450 2B6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50310823(CHEMBL1078442 | bergamottin)
Affinity DataKi:  7.70E+3nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylation and erythromycin N-demethylationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A5(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50310823(CHEMBL1078442 | bergamottin)
Affinity DataKi:  2.00E+4nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A5More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50310823(CHEMBL1078442 | bergamottin)
Affinity DataKi:  3.48E+4nMAssay Description:Inhibition of recombinant human BACE1 assessed as dissociation constant of enzyme-inhibitor complex using Rh-EVNLDAEFK as substrate by Dixon and Corn...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50310823(CHEMBL1078442 | bergamottin)
Affinity DataKi:  4.00E+4nMAssay Description:Mechanism based inhibition of human cytochrome P450 2E1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1B1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50310823(CHEMBL1078442 | bergamottin)
Affinity DataKi:  5.87E+5nMAssay Description:Competitive inhibition of CYP1B1 (unknown origin) expressed in yeast microsomes using (-)benzo[a]pyrene-7R-trans-7,8-dihyrodiol (B[a]P-7,8-diol) as s...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50310823(CHEMBL1078442 | bergamottin)
Affinity DataIC50:  2.42E+3nMAssay Description:Inhibition of CYP3A4 after 30 mins by fluorescence microplate reader assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50310823(CHEMBL1078442 | bergamottin)
Affinity DataIC50:  3.22E+4nMAssay Description:Inhibition of recombinant human BACE1 using Rh-EVNLDAEFK as substrate after 60 mins by fluorescence quenching assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed