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
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50331515 (CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Orleans Curated by ChEMBL | Assay Description Displacement of [3H]citalopram from serotonin transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting | Bioorg Med Chem 18: 8356-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.060 BindingDB Entry DOI: 10.7270/Q2CN744P | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50331515 (CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars | DrugBank PDB Article PubMed | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Perugia Curated by ChEMBL | Assay Description Displacement of [3H]paroxetine from SERT in human platelet membrane | Bioorg Med Chem Lett 18: 5140-5 (2008) Article DOI: 10.1016/j.bmcl.2008.07.084 BindingDB Entry DOI: 10.7270/Q2WS8V4S | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Transporter (Rattus norvegicus (rat)) | BDBM50331515 (CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...) | Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Orleans Curated by ChEMBL | Assay Description Displacement of [3H]nisoxetine from norepinephrine transporter in Sprague-Dawley rat frontal cortex after 1 hr by liquid scintillation counting | Bioorg Med Chem 18: 8356-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.060 BindingDB Entry DOI: 10.7270/Q2CN744P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Rattus norvegicus (rat)) | BDBM50331515 (CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | 98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Orleans Curated by ChEMBL | Assay Description Displacement of [3H]WIN 35428 from dopamine transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting | Bioorg Med Chem 18: 8356-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.060 BindingDB Entry DOI: 10.7270/Q2CN744P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50331515 (CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate after 8 mins by LC-MS/MS analysis | Drug Metab Dispos 40: 943-51 (2012) Article DOI: 10.1124/dmd.111.043505 BindingDB Entry DOI: 10.7270/Q2PN97D2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50331515 (CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars | DrugBank Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 8 mins by LC-MS/MS analysis | Drug Metab Dispos 40: 943-51 (2012) Article DOI: 10.1124/dmd.111.043505 BindingDB Entry DOI: 10.7270/Q2PN97D2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C8 (Homo sapiens (Human)) | BDBM50331515 (CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars | DrugBank Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 8 mins by LC-MS/MS analysis | Drug Metab Dispos 40: 943-51 (2012) Article DOI: 10.1124/dmd.111.043505 BindingDB Entry DOI: 10.7270/Q2PN97D2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein kinase C alpha type (Homo sapiens (Human)) | BDBM50331515 (CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 2.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina Curated by ChEMBL | Assay Description Inhibition of recombinant full-length human N-terminal GST tagged PKCalpha expressed in Baculovirus infected Sf9 insect cells using KRREILSRRPSYR as ... | J Med Chem 59: 9277-9294 (2016) BindingDB Entry DOI: 10.7270/Q2348NB9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G protein-coupled receptor kinase 5 (Bos taurus) | BDBM50331515 (CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 1.26E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina Curated by ChEMBL | Assay Description Inhibition of bovine GRK5 assessed as decrease in phosphorylation of tubulin after 5 mins by SDS-PAGE analysis | J Med Chem 59: 9277-9294 (2016) BindingDB Entry DOI: 10.7270/Q2348NB9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rhodopsin kinase (Bos taurus) | BDBM50331515 (CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 1.58E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina Curated by ChEMBL | Assay Description Inhibition of C-terminal hexahistidine tagged bovine GRK1 (535 residues) assessed as decrease in phosphorylation of tubulin preincubated for 30 mins ... | J Med Chem 59: 9277-9294 (2016) BindingDB Entry DOI: 10.7270/Q2348NB9 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
G protein-coupled receptor kinase 5 (Bos taurus) | BDBM50331515 (CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 1.26E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina Curated by ChEMBL | Assay Description Inhibition of C-terminal hexahistidine tagged bovine GRK5 (561 residues) assessed as decrease in phosphorylation of tubulin preincubated for 30 mins ... | J Med Chem 59: 9277-9294 (2016) BindingDB Entry DOI: 10.7270/Q2348NB9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G protein-coupled receptor kinase 5 (Bos taurus) | BDBM50331515 (CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 2.51E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina Curated by ChEMBL | Assay Description Inhibition of C-terminal hexahistidine tagged bovine GRK5 (561 residues) assessed as decrease in phosphorylation of light-activated bovine rod outer ... | J Med Chem 59: 9277-9294 (2016) BindingDB Entry DOI: 10.7270/Q2348NB9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rhodopsin kinase (Bos taurus) | BDBM50331515 (CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 3.16E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina Curated by ChEMBL | Assay Description Inhibition of C-terminal hexahistidine tagged bovine GRK1 (535 residues) assessed as decrease in phosphorylation of light-activated bovine rod outer ... | J Med Chem 59: 9277-9294 (2016) BindingDB Entry DOI: 10.7270/Q2348NB9 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50331515 (CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 6.89E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-... | Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human)) | BDBM50331515 (CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay 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... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human)) | BDBM50331515 (CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 4 (Homo sapiens (Human)) | BDBM50331515 (CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay 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... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50331515 (CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 2.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 8 mins by LC-MS/MS analysis | Drug Metab Dispos 40: 943-51 (2012) Article DOI: 10.1124/dmd.111.043505 BindingDB Entry DOI: 10.7270/Q2PN97D2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50331515 (CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 5.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 8 mins by LC-MS/MS analysis | Drug Metab Dispos 40: 943-51 (2012) Article DOI: 10.1124/dmd.111.043505 BindingDB Entry DOI: 10.7270/Q2PN97D2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50331515 (CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay 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 ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rhodopsin kinase (Bos taurus) | BDBM50331515 (CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 3.98E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina Curated by ChEMBL | Assay Description Inhibition of bovine GRK1 (1 to 535 residues) assessed as decrease in phosphorylation of tubulin after 5 mins by SDS-PAGE analysis | J Med Chem 59: 9277-9294 (2016) BindingDB Entry DOI: 10.7270/Q2348NB9 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50331515 (CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 960 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 8 mins by LC-MS/MS analysis | Drug Metab Dispos 40: 943-51 (2012) Article DOI: 10.1124/dmd.111.043505 BindingDB Entry DOI: 10.7270/Q2PN97D2 | |||||||||||
More data for this Ligand-Target Pair |