Found 22 hits for monomerid = 85509 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 |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM85509
(CAS_55142-85-3 | NSC_5472 | Ticlopidine)Show InChI InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2 | PDB
KEGG
UniProtKB/SwissProt
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Patents
| DrugBank PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description Mechanism based inhibition of human cytochrome P450 2B6 measured by bupropion hydroxylation using human liver microsomes |
Curr Drug Metab 6: 413-54 (2005)
BindingDB Entry DOI: 10.7270/Q2VQ33X3 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM85509
(CAS_55142-85-3 | NSC_5472 | Ticlopidine)Show InChI InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2 | PDB
KEGG
UniProtKB/SwissProt
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DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
| DrugBank PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description Mechanism based inhibition of human cytochrome P450 2B6 measured by bupropion hydroxylation using recombinant CYP2B6 |
Curr Drug Metab 6: 413-54 (2005)
BindingDB Entry DOI: 10.7270/Q2VQ33X3 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM85509
(CAS_55142-85-3 | NSC_5472 | Ticlopidine)Show InChI InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
| DrugBank Article PubMed
| 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Time dependent inhibition of CYP2C19 |
J Med Chem 55: 4896-933 (2012)
Article DOI: 10.1021/jm300065h BindingDB Entry DOI: 10.7270/Q2PG1SVR |
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM85509
(CAS_55142-85-3 | NSC_5472 | Ticlopidine)Show InChI InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Bartholomew's and the Royal London School of Medicine and Dentistry
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 96: 7563-8 (1999)
Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4 |
More data for this Ligand-Target Pair | |
Cyclooxygenase-1 (COX-1)
(Homo sapiens (Human)) | BDBM85509
(CAS_55142-85-3 | NSC_5472 | Ticlopidine)Show InChI InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2 | PDB
UniProtKB/SwissProt
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Patents
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Bartholomew's and the Royal London School of Medicine and Dentistry
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 96: 7563-8 (1999)
Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM85509
(CAS_55142-85-3 | NSC_5472 | Ticlopidine)Show InChI InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
| DrugBank PubMed
| 8.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description Mechanism based inhibition of human cytochrome P450 2C19 measured by 5-hydroxylation of 2-aroylthiophenes |
Curr Drug Metab 6: 413-54 (2005)
BindingDB Entry DOI: 10.7270/Q2VQ33X3 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM85509
(CAS_55142-85-3 | NSC_5472 | Ticlopidine)Show InChI InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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Patents
| DrugBank Article PubMed
| n/a | n/a | 3.11E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tongji University
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes using tolbutamide substrate by LC-MS/MS method |
Drug Metab Dispos 41: 60-71 (2012)
Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM85509
(CAS_55142-85-3 | NSC_5472 | Ticlopidine)Show InChI InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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Patents
| DrugBank Article PubMed
| n/a | n/a | 3.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tongji University
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in human liver microsomes using testosterone substrate by LC-MS/MS method |
Drug Metab Dispos 41: 60-71 (2012)
Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G |
More data for this Ligand-Target Pair | |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM85509
(CAS_55142-85-3 | NSC_5472 | Ticlopidine)Show InChI InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2 | PDB
KEGG
UniProtKB/SwissProt
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Patents
| DrugBank PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Palacky University in Olomouc
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CYP2B6 by P450-Glo luminescence assay |
J Med Chem 59: 4601-10 (2016)
BindingDB Entry DOI: 10.7270/Q2D220JZ |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM85509
(CAS_55142-85-3 | NSC_5472 | Ticlopidine)Show InChI InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
| DrugBank PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate after 40 mins by LC-MS analysis |
J Med Chem 59: 3340-52 (2016)
BindingDB Entry DOI: 10.7270/Q29K4D50 |
More data for this Ligand-Target Pair | |
Bile salt export pump
(Homo sapiens (Human)) | BDBM85509
(CAS_55142-85-3 | NSC_5472 | Ticlopidine)Show InChI InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2 | PDB
UniProtKB/SwissProt
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Patents
| Article PubMed
| n/a | n/a | 2.70E+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)) | BDBM85509
(CAS_55142-85-3 | NSC_5472 | Ticlopidine)Show InChI InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2 | UniProtKB/SwissProt
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Patents
| 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)) | BDBM85509
(CAS_55142-85-3 | NSC_5472 | Ticlopidine)Show InChI InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2 | Reactome pathway KEGG
UniProtKB/SwissProt
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DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
| 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)) | BDBM85509
(CAS_55142-85-3 | NSC_5472 | Ticlopidine)Show InChI InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2 | Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
| 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 | |
Bile salt export pump
(Homo sapiens (Human)) | BDBM85509
(CAS_55142-85-3 | NSC_5472 | Ticlopidine)Show InChI InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2 | PDB
UniProtKB/SwissProt
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Patents
| 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 | |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM85509
(CAS_55142-85-3 | NSC_5472 | Ticlopidine)Show InChI InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2 | PDB
KEGG
UniProtKB/SwissProt
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Patents
| DrugBank Article PubMed
| n/a | n/a | 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay 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 analysis |
J Med Chem 61: 224-250 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01300 BindingDB Entry DOI: 10.7270/Q289189X |
More data for this Ligand-Target Pair | |
Bile salt export pump
(Rattus norvegicus) | BDBM85509
(CAS_55142-85-3 | NSC_5472 | Ticlopidine)Show InChI InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2 | KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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Patents
| Article PubMed
| n/a | n/a | 4.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up... |
Drug Metab Dispos 40: 130-8 (2011)
Article DOI: 10.1124/dmd.111.040758 BindingDB Entry DOI: 10.7270/Q20Z7500 |
More data for this Ligand-Target Pair | |
Bile salt export pump (BSEP)
(Homo sapiens (Human)) | BDBM85509
(CAS_55142-85-3 | NSC_5472 | Ticlopidine)Show InChI InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2 | PDB
UniProtKB/SwissProt
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Patents
| Article PubMed
| n/a | n/a | 7.40E+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 plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake |
Drug Metab Dispos 40: 130-8 (2011)
Article DOI: 10.1124/dmd.111.040758 BindingDB Entry DOI: 10.7270/Q20Z7500 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2J2
(Homo sapiens (Human)) | BDBM85509
(CAS_55142-85-3 | NSC_5472 | Ticlopidine)Show InChI InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2 | UniProtKB/SwissProt
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Patents
| Article PubMed
| n/a | n/a | 2.18E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tongji University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method |
Drug Metab Dispos 41: 60-71 (2012)
Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM85509
(CAS_55142-85-3 | NSC_5472 | Ticlopidine)Show InChI InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
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Patents
| Article PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tongji University
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 in human liver microsomes using bufuralol substrate by LC-MS/MS method |
Drug Metab Dispos 41: 60-71 (2012)
Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A
(Homo sapiens (Human)) | BDBM85509
(CAS_55142-85-3 | NSC_5472 | Ticlopidine)Show InChI InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2 | PDB MMDB
Reactome pathway KEGG
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Patents
| DrugBank Article PubMed
| n/a | n/a | 8.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tongji University
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin substrate by LC-MS/MS method |
Drug Metab Dispos 41: 60-71 (2012)
Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM85509
(CAS_55142-85-3 | NSC_5472 | Ticlopidine)Show InChI InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
| DrugBank Article PubMed
| n/a | n/a | 2.84E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tongji University
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 in human liver microsomes using omeprazole substrate by LC-MS/MS method |
Drug Metab Dispos 41: 60-71 (2012)
Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G |
More data for this Ligand-Target Pair | |