Found 36 hits for monomerid = 22876 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 |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description Binding affinity for H1 histamine receptor expressed in CHO cells |
J Med Chem 48: 2154-66 (2005)
Article DOI: 10.1021/jm049495j BindingDB Entry DOI: 10.7270/Q2N0179T |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | PDB
Reactome pathway KEGG
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| DrugBank Article PubMed
| 311 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Institute of Psychiatry
Curated by ChEMBL
| Assay Description Displacement of [3H]mepyramine from human histamine H1 receptor expressed in Sf9 cells by scintillation counting method |
J Med Chem 57: 9473-9 (2014)
Article DOI: 10.1021/jm501086v BindingDB Entry DOI: 10.7270/Q22F7Q1H |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(RAT) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | KEGG
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| 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description Binding affinity to histamine H1 receptor in rat brain membranes was evaluated using [3H]-pyrilamine as radioligand |
J Med Chem 34: 457-61 (1991)
BindingDB Entry DOI: 10.7270/Q2BV7FK0 |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | PDB
Reactome pathway KEGG
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| DrugBank Article PubMed
| 414 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Research
Curated by ChEMBL
| Assay Description Binding affinity towards human histamine H1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 14: 5591-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.060 BindingDB Entry DOI: 10.7270/Q28C9VRH |
More data for this Ligand-Target Pair | |
Histamine H4 receptor
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | Reactome pathway KEGG
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| Article PubMed
| >1.00E+4 | >-7.09 | n/a | n/a | n/a | n/a | n/a | 7.4 | 37 |
Vrije Universiteit Amsterdam
| Assay Description Ligand displacement assays were performed on The SK-N-MC/hH4R cell homogenates. Retained radioactivity was determined by liquid scintillation countin... |
J Pharmacol Exp Ther 314: 1310-21 (2005)
Article DOI: 10.1124/jpet.105.087965 BindingDB Entry DOI: 10.7270/Q2KD1W6V |
More data for this Ligand-Target Pair | |
Pregnane X receptor
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | PDB
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| Article PubMed
| n/a | n/a | n/a | n/a | 1.26E+4 | n/a | n/a | n/a | n/a |
National Institutes of Health Chemical Genomics Center
Curated by ChEMBL
| Assay Description Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase reporter gene based luminescent analysis |
Drug Metab Dispos 39: 151-9 (2010)
Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P |
More data for this Ligand-Target Pair | |
Pregnane X receptor
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | PDB
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| Article PubMed
| n/a | n/a | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a |
National Institutes of Health Chemical Genomics Center
Curated by ChEMBL
| Assay Description Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay |
Drug Metab Dispos 39: 151-9 (2010)
Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P |
More data for this Ligand-Target Pair | |
Pregnane X receptor
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | PDB
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| Article PubMed
| n/a | n/a | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a |
National Institutes of Health Chemical Genomics Center
Curated by ChEMBL
| Assay Description Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysis |
Drug Metab Dispos 39: 151-9 (2010)
Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | PDB MMDB
Reactome pathway KEGG
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| DrugBank Article PubMed
| n/a | n/a | 2.80E+3 | 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 2C8
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | PDB
KEGG
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| DrugBank Article PubMed
| n/a | n/a | 2.95E+3 | 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 | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | PDB
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| Article PubMed
| n/a | n/a | <100 | 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 | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | PDB MMDB
Reactome pathway KEGG
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| 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 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 2C9
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | PDB MMDB
Reactome pathway KEGG
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| 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 | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | PDB
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| DrugBank PubMed
| n/a | n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity to human H1 histamine receptor expressed in CHO cells after 1 hr by calcium 5 dye-based FLIPR assay |
J Med Chem 63: 7268-7292 (2020)
|
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | PDB MMDB
Reactome pathway KEGG
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| PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Ltd
Curated by ChEMBL
| Assay Description Inhibition of human Potassium channel HERG expressed in mammalian cells |
Bioorg Med Chem Lett 13: 2773-5 (2003)
BindingDB Entry DOI: 10.7270/Q2QZ2BGZ |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | PDB MMDB
Reactome pathway KEGG
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| PubMed
| n/a | n/a | 173 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description K+ channel blocking activity in human embryonic kidney cells expressing HERG Kv11.1 |
J Med Chem 45: 3844-53 (2002)
BindingDB Entry DOI: 10.7270/Q2NC61X3 |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | PDB
Reactome pathway KEGG
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| DrugBank Article PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Organon Laboratories
Curated by ChEMBL
| Assay Description Inhibition constant against histamine H1 receptor |
J Med Chem 48: 6523-43 (2005)
Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9 |
More data for this Ligand-Target Pair | |
Platelet activating factor receptor
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | PDB
Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | 1.35E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Organon Laboratories
Curated by ChEMBL
| Assay Description Inhibitory concentration against platelet activating factor receptor |
J Med Chem 48: 6523-43 (2005)
Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9 |
More data for this Ligand-Target Pair | |
Pregnane X receptor
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | PDB
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| n/a | n/a | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a |
City of Hope National Medical Center
Curated by ChEMBL
| Assay Description Agonist activity at PXR (unknown origin) expressed in human HepG2 cells assessed as induction of CYP3A4 transactivation after 16 hrs by luciferase re... |
Bioorg Med Chem 21: 4266-78 (2013)
Article DOI: 10.1016/j.bmc.2013.04.069 BindingDB Entry DOI: 10.7270/Q2J67J9Z |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 3.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
City of Hope National Medical Center
Curated by ChEMBL
| Assay Description Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assay |
Bioorg Med Chem 21: 4266-78 (2013)
Article DOI: 10.1016/j.bmc.2013.04.069 BindingDB Entry DOI: 10.7270/Q2J67J9Z |
More data for this Ligand-Target Pair | |
P-glycoprotein 1
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | PDB
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| n/a | n/a | 1.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: inhibition of Daunorubicin efflux (Daunorubicin: ? uM) in G185 cells |
Drug Metab Dispos 29: 1080-3 (2001)
BindingDB Entry DOI: 10.7270/Q2WW7JX1 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | 174 | n/a | n/a | n/a | n/a | n/a | n/a |
CASMedChem Laboratory
Curated by ChEMBL
| Assay Description Inhibition of human ERG in MCF7 cells |
Eur J Med Chem 44: 1926-32 (2009)
Article DOI: 10.1016/j.ejmech.2008.11.009 BindingDB Entry DOI: 10.7270/Q2TM7CCD |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | PDB MMDB
Reactome pathway KEGG
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| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Reverse proteomics research institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against potassium channel HERG |
Bioorg Med Chem Lett 15: 2886-90 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.080 BindingDB Entry DOI: 10.7270/Q29S1S7C |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche
Curated by ChEMBL
| Assay Description Inhibition of human ERG expressed in CHO cells by whole cell patch clamp technique |
Bioorg Med Chem 16: 6252-60 (2008)
Article DOI: 10.1016/j.bmc.2008.04.028 BindingDB Entry DOI: 10.7270/Q25D8T25 |
More data for this Ligand-Target Pair | |
Bile salt export pump
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | PDB
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| n/a | n/a | 1.20E+4 | 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 | |
Multidrug resistance-associated protein 4
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | Reactome pathway KEGG
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| 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 | |
Canalicular multispecific organic anion transporter 2
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | Reactome pathway KEGG
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| 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 | |
Canalicular multispecific organic anion transporter 1
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | UniProtKB/SwissProt
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| 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 | |
Voltage-gated L-type calcium channel
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | PDB
KEGG
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| Article PubMed
| n/a | n/a | 1.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ChanTest Corporation
Curated by ChEMBL
| Assay Description Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits |
Sci Rep 3: (2013)
Article DOI: 10.1038/srep02100 BindingDB Entry DOI: 10.7270/Q2RB77K2 |
More data for this Ligand-Target Pair | |
Potassium channel subfamily K member 9
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | 6.34E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Talca
Curated by ChEMBL
| Assay Description Inhibition of human TASK3 expressed in HEK293 cells by Ti+ flux assay |
J Med Chem 62: 10044-10058 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00248 |
More data for this Ligand-Target Pair | |
Sodium-dependent neutral amino acid transporter B(0)AT2
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | KEGG
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| Article PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Institute of Psychiatry
Curated by ChEMBL
| Assay Description Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay |
J Med Chem 57: 9473-9 (2014)
Article DOI: 10.1021/jm501086v BindingDB Entry DOI: 10.7270/Q22F7Q1H |
More data for this Ligand-Target Pair | |
Platelet activating factor receptor
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | PDB
Reactome pathway KEGG
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description Concentration required to cause 50% inhibition of platelet activating factor (PAF)-induced platelet aggregation of human platelet rich plasma when ch... |
J Med Chem 34: 457-61 (1991)
BindingDB Entry DOI: 10.7270/Q2BV7FK0 |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | PDB
Reactome pathway KEGG
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| DrugBank US Patent
| n/a | n/a | 1.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
BRIDGE PHARMA, INC.
US Patent
| Assay Description The specific binding of the radioactive ligand to the receptor was defined as the difference between total binding and nonspecific binding, determine... |
US Patent US9333199 (2016)
BindingDB Entry DOI: 10.7270/Q2639NMV |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | PDB
Reactome pathway KEGG
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| DrugBank US Patent
| n/a | n/a | 1.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
BRIDGE PHARMA, INC.
US Patent
| Assay Description Affinities of the test compounds for peripheral human histamine H-4-receptors were assessed using receptor-binding assays. The specific binding of th... |
US Patent US9138431 (2015)
BindingDB Entry DOI: 10.7270/Q26W98WT |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | 174 | n/a | n/a | n/a | n/a | n/a | n/a |
TCG Lifesciences Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Eur J Med Chem 46: 618-30 (2011)
Article DOI: 10.1016/j.ejmech.2010.11.042 BindingDB Entry DOI: 10.7270/Q2WQ052W |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A
(Homo sapiens (Human)) | BDBM22876
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | PDB MMDB
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| 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 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 | |