BDBM50331515 CHEMBL1708::PAROXETINE::Paroxetine hydrochloride::Paroxetine.HCl::Paxil::Paxil cr

SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1

InChI Key InChIKey=AHOUBRCZNHFOSL-YOEHRIQHSA-N

Data  4 KI  18 IC50

PDB links: 10 PDB IDs match this monomer.

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 22 hits for monomerid = 50331515   

TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
University of New Orleans

Curated by ChEMBL
LigandPNGBDBM50331515(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
Affinity DataKi:  0.0500nMAssay Description:Displacement of [3H]citalopram from serotonin transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation countingMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Universit£ degli Studi di Perugia

Curated by ChEMBL
LigandPNGBDBM50331515(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
Affinity DataKi:  0.0800nMAssay Description:Displacement of [3H]paroxetine from SERT in human platelet membraneMore data for this Ligand-Target Pair
TargetTransporter(Rattus norvegicus (rat))
University of New Orleans

Curated by ChEMBL
LigandPNGBDBM50331515(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
Affinity DataKi:  59nMAssay Description:Displacement of [3H]nisoxetine from norepinephrine transporter in Sprague-Dawley rat frontal cortex after 1 hr by liquid scintillation countingMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of New Orleans

Curated by ChEMBL
LigandPNGBDBM50331515(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
Affinity DataKi:  98nMAssay Description:Displacement of [3H]WIN 35428 from dopamine transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation countingMore data for this Ligand-Target Pair
TargetCytochrome P450 2C19(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50331515(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
TargetCytochrome P450 2C9(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50331515(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
TargetCytochrome P450 2C8(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50331515(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
TargetProtein kinase C alpha type(Homo sapiens (Human))
Universit£ degli Studi di Messina

Curated by ChEMBL
LigandPNGBDBM50331515(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
Affinity DataIC50: 2.20E+5nMAssay Description:Inhibition of recombinant full-length human N-terminal GST tagged PKCalpha expressed in Baculovirus infected Sf9 insect cells using KRREILSRRPSYR as ...More data for this Ligand-Target Pair
TargetG protein-coupled receptor kinase 5(Bos taurus)
Universit£ degli Studi di Messina

Curated by ChEMBL
LigandPNGBDBM50331515(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
Affinity DataIC50: 1.26E+5nMAssay Description:Inhibition of bovine GRK5 assessed as decrease in phosphorylation of tubulin after 5 mins by SDS-PAGE analysisMore data for this Ligand-Target Pair
TargetRhodopsin kinase GRK1(Bos taurus)
Universit£ degli Studi di Messina

Curated by ChEMBL
LigandPNGBDBM50331515(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
Affinity DataIC50: 1.58E+5nMAssay Description:Inhibition of C-terminal hexahistidine tagged bovine GRK1 (535 residues) assessed as decrease in phosphorylation of tubulin preincubated for 30 mins ...More data for this Ligand-Target Pair
TargetG protein-coupled receptor kinase 5(Bos taurus)
Universit£ degli Studi di Messina

Curated by ChEMBL
LigandPNGBDBM50331515(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
Affinity DataIC50: 1.26E+5nMAssay Description:Inhibition of C-terminal hexahistidine tagged bovine GRK5 (561 residues) assessed as decrease in phosphorylation of tubulin preincubated for 30 mins ...More data for this Ligand-Target Pair
TargetG protein-coupled receptor kinase 5(Bos taurus)
Universit£ degli Studi di Messina

Curated by ChEMBL
LigandPNGBDBM50331515(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
Affinity DataIC50: 2.51E+5nMAssay Description:Inhibition of C-terminal hexahistidine tagged bovine GRK5 (561 residues) assessed as decrease in phosphorylation of light-activated bovine rod outer ...More data for this Ligand-Target Pair
TargetRhodopsin kinase GRK1(Bos taurus)
Universit£ degli Studi di Messina

Curated by ChEMBL
LigandPNGBDBM50331515(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
Affinity DataIC50: 3.16E+5nMAssay Description:Inhibition of C-terminal hexahistidine tagged bovine GRK1 (535 residues) assessed as decrease in phosphorylation of light-activated bovine rod outer ...More data for this Ligand-Target Pair
TargetBile salt export pump(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50331515(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
Affinity DataIC50: 6.89E+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
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50331515(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
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
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50331515(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
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
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50331515(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
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
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50331515(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
Affinity DataIC50: 2.41E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50331515(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
Affinity DataIC50: 5.33E+3nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
TargetBile salt export pump(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50331515(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
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
TargetRhodopsin kinase GRK1(Bos taurus)
Universit£ degli Studi di Messina

Curated by ChEMBL
LigandPNGBDBM50331515(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
Affinity DataIC50: 3.98E+5nMAssay Description:Inhibition of bovine GRK1 (1 to 535 residues) assessed as decrease in phosphorylation of tubulin after 5 mins by SDS-PAGE analysisMore data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50331515(CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
Affinity DataIC50: 960nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair