BDBM85509 CAS_55142-85-3::NSC_5472::Ticlopidine

SMILES Clc1ccccc1CN1CCc2sccc2C1

InChI Key InChIKey=PHWBOXQYWZNQIN-UHFFFAOYSA-N

Data  6 KI  17 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 85509   

TargetCytochrome P450 2B6(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM85509(CAS_55142-85-3 | NSC_5472 | Ticlopidine)
Affinity DataKi:  200nMAssay Description:Mechanism based inhibition of human cytochrome P450 2B6 measured by bupropion hydroxylation using human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2B6(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM85509(CAS_55142-85-3 | NSC_5472 | Ticlopidine)
Affinity DataKi:  800nMAssay Description:Mechanism based inhibition of human cytochrome P450 2B6 measured by bupropion hydroxylation using recombinant CYP2B6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2B6(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM85509(CAS_55142-85-3 | NSC_5472 | Ticlopidine)
Affinity DataIC50:  210nMAssay Description:Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate incubated for 5 to 45 mins in presence of NADPH by LC/MS analysisMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetCytochrome P450 2B6(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM85509(CAS_55142-85-3 | NSC_5472 | Ticlopidine)
Affinity DataIC50:  600nMAssay Description:Inhibition of recombinant human CYP2B6 by P450-Glo luminescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2B6(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM85509(CAS_55142-85-3 | NSC_5472 | Ticlopidine)
Affinity DataIC50:  7.00E+4nMAssay Description:Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate upto 10 uM after 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank