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 4 hits for monomerid = 85509   

TargetCytochrome P450 2C19(Homo sapiens (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

TargetCytochrome P450 2C19(Homo sapiens (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 2C19(Homo sapiens (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

TargetCytochrome P450 2C19(Homo sapiens (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