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.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 85509   

TargetCytochrome P450 2B6(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(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 2C19(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM85509(CAS_55142-85-3 | NSC_5472 | Ticlopidine)
Affinity DataKi:  3.30E+3nMAssay Description:Time dependent inhibition of CYP2C19More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetProstaglandin G/H synthase 2(Human)
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM85509(CAS_55142-85-3 | NSC_5472 | Ticlopidine)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Human)
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM85509(CAS_55142-85-3 | NSC_5472 | Ticlopidine)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM85509(CAS_55142-85-3 | NSC_5472 | Ticlopidine)
Affinity DataKi:  8.70E+4nMAssay Description:Mechanism based inhibition of human cytochrome P450 2C19 measured by 5-hydroxylation of 2-aroylthiophenesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2B6(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 3A4(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM85509(CAS_55142-85-3 | NSC_5472 | Ticlopidine)
Affinity DataIC50:  3.27E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2B6(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 2C19(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM85509(CAS_55142-85-3 | NSC_5472 | Ticlopidine)
Affinity DataIC50:  1.30E+3nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate after 40 mins by LC-MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM85509(CAS_55142-85-3 | NSC_5472 | Ticlopidine)
Affinity DataIC50:  2.70E+4nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM85509(CAS_55142-85-3 | NSC_5472 | Ticlopidine)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM85509(CAS_55142-85-3 | NSC_5472 | Ticlopidine)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM85509(CAS_55142-85-3 | NSC_5472 | Ticlopidine)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM85509(CAS_55142-85-3 | NSC_5472 | Ticlopidine)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(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

TargetCytochrome P450 2C19(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM85509(CAS_55142-85-3 | NSC_5472 | Ticlopidine)
Affinity DataIC50:  2.84E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using omeprazole substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetBile salt export pump(Rat)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM85509(CAS_55142-85-3 | NSC_5472 | Ticlopidine)
Affinity DataIC50:  4.90E+4nMAssay Description:Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM85509(CAS_55142-85-3 | NSC_5472 | Ticlopidine)
Affinity DataIC50:  7.40E+4nMAssay Description:Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptakeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2J2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM85509(CAS_55142-85-3 | NSC_5472 | Ticlopidine)
Affinity DataIC50:  2.18E+4nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM85509(CAS_55142-85-3 | NSC_5472 | Ticlopidine)
Affinity DataIC50:  4.80E+3nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM85509(CAS_55142-85-3 | NSC_5472 | Ticlopidine)
Affinity DataIC50:  8.59E+3nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2C9(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM85509(CAS_55142-85-3 | NSC_5472 | Ticlopidine)
Affinity DataIC50:  3.11E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using tolbutamide substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank