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

SMILES c1ccc(c(c1)C[N@]2CCc3c(ccs3)C2)Cl

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 23 hits for monomerid = 85509   

TargetCytochrome P450 2C9(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM85509(NSC_5472 | CAS_55142-85-3 | 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 Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM85509(NSC_5472 | CAS_55142-85-3 | 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 Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2B6(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM85509(NSC_5472 | CAS_55142-85-3 | 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 Depth
Date in BDB:
11/1/2019
Entry Details Article
PubMed
TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM85509(NSC_5472 | CAS_55142-85-3 | 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 Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
LigandPNGBDBM85509(NSC_5472 | CAS_55142-85-3 | 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 Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
LigandPNGBDBM85509(NSC_5472 | CAS_55142-85-3 | 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 Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
LigandPNGBDBM85509(NSC_5472 | CAS_55142-85-3 | 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 Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM85509(NSC_5472 | CAS_55142-85-3 | 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 Depth
Date in BDB:
9/28/2019
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
University of Perugia

Curated by ChEMBL
LigandPNGBDBM85509(NSC_5472 | CAS_55142-85-3 | 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 Depth
Date in BDB:
9/22/2017
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM85509(NSC_5472 | CAS_55142-85-3 | Ticlopidine)
Affinity DataIC50: 600nMAssay Description:Inhibition of recombinant human CYP2B6 by P450-Glo luminescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2017
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM85509(NSC_5472 | CAS_55142-85-3 | 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 Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
University of Perugia

Curated by ChEMBL
LigandPNGBDBM85509(NSC_5472 | CAS_55142-85-3 | 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 Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetBile salt export pump(Rat)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM85509(NSC_5472 | CAS_55142-85-3 | 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 Depth
Date in BDB:
5/8/2016
Entry Details Article
PubMed
TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM85509(NSC_5472 | CAS_55142-85-3 | 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 Depth
Date in BDB:
5/8/2016
Entry Details Article
PubMed
TargetCytochrome P450 2J2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM85509(NSC_5472 | CAS_55142-85-3 | 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 Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM85509(NSC_5472 | CAS_55142-85-3 | 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 Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM85509(NSC_5472 | CAS_55142-85-3 | 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 Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM85509(NSC_5472 | CAS_55142-85-3 | 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 Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM85509(NSC_5472 | CAS_55142-85-3 | 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 Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
University of Perugia

Curated by ChEMBL
LigandPNGBDBM85509(NSC_5472 | CAS_55142-85-3 | Ticlopidine)
Affinity DataKi:  3.30E+3nMAssay Description:Time dependent inhibition of CYP2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM85509(NSC_5472 | CAS_55142-85-3 | Ticlopidine)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/12/2012
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 1(Human)
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM85509(NSC_5472 | CAS_55142-85-3 | Ticlopidine)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/12/2012
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
University of Perugia

Curated by ChEMBL
LigandPNGBDBM85509(NSC_5472 | CAS_55142-85-3 | 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 Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed