BDBM22876 CHEMBL998::Claritin::Loratadine::Sch 29851::US9138431, LORATADINE (Claritin)::US9333199, LORATADINE (Claritin)::ethyl 4-{13-chloro-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene}piperidine-1-carboxylate

SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12

InChI Key InChIKey=JCCNYMKQOSZNPW-UHFFFAOYSA-N

Data  5 KI  26 IC50  1 Kd  4 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 36 hits for monomerid = 22876   

TargetHistamine H1 receptor(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Affinity DataKi:  37nMAssay Description:Binding affinity for H1 histamine receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetHistamine H1 receptor(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Affinity DataKi:  311nMAssay Description:Displacement of [3H]mepyramine from human histamine H1 receptor expressed in Sf9 cells by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetHistamine H1 receptor(RAT)
Schering-Plough

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Affinity DataKi:  350nMAssay Description:Binding affinity to histamine H1 receptor in rat brain membranes was evaluated using [3H]-pyrilamine as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistamine H1 receptor(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Affinity DataKi:  414nMAssay Description:Binding affinity towards human histamine H1 receptor expressed in CHO-K1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetHistamine H4 receptor(Homo sapiens (Human))
Vrije Universiteit Amsterdam

LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Affinity DataKi: >1.00E+4nM ΔG°: >-7.09kcal/molepH: 7.4 T: 2°CAssay Description:Ligand displacement assays were performed on The SK-N-MC/hH4R cell homogenates. Retained radioactivity was determined by liquid scintillation countin...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
National Institutes Of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Affinity DataEC50:  1.26E+4nMAssay Description:Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase reporter gene based luminescent analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
National Institutes Of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Affinity DataEC50:  1.00E+4nMAssay Description:Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
National Institutes Of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Affinity DataEC50:  1.00E+4nMAssay Description:Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Affinity DataIC50:  2.80E+3nMAssay 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
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2C8(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Affinity DataIC50:  2.95E+3nMAssay 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
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2D6(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Affinity DataIC50: <100nMAssay 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
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Affinity DataIC50: >3.00E+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
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2C9(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
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
In DepthDetails ArticlePubMedDrugBank

TargetHistamine H1 receptor(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Affinity DataKd:  190nMAssay Description:Binding affinity to human H1 histamine receptor expressed in CHO cells after 1 hr by calcium 5 dye-based FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Gedeon Richter

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Affinity DataIC50:  170nMAssay Description:Inhibition of human Potassium channel HERG expressed in mammalian cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Gedeon Richter

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Affinity DataIC50:  173nMAssay Description:K+ channel blocking activity in human embryonic kidney cells expressing HERG Kv11.1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistamine H1 receptor(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Affinity DataIC50:  290nMAssay Description:Inhibition constant against histamine H1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetPlatelet-activating factor receptor(Homo sapiens (Human))
Organon Laboratories

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Affinity DataIC50:  1.35E+5nMAssay Description:Inhibitory concentration against platelet activating factor receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
National Institutes Of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Affinity DataEC50:  3.00E+3nMAssay Description:Agonist activity at PXR (unknown origin) expressed in human HepG2 cells assessed as induction of CYP3A4 transactivation after 16 hrs by luciferase re...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
City Of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Affinity DataIC50:  3.07E+3nMAssay Description:Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Affinity DataIC50:  1.14E+4nMAssay Description:TP_TRANSPORTER: inhibition of Daunorubicin efflux (Daunorubicin: ? uM) in G185 cellsMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Gedeon Richter

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Affinity DataIC50:  174nMAssay Description:Inhibition of human ERG in MCF7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Gedeon Richter

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Affinity DataIC50:  170nMAssay Description:Inhibitory concentration against potassium channel HERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Gedeon Richter

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Affinity DataIC50:  170nMAssay Description:Inhibition of human ERG expressed in CHO cells by whole cell patch clamp techniqueMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Affinity DataIC50:  1.20E+4nMAssay 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
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
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
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
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
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
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
In DepthDetails ArticlePubMed
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Affinity DataIC50:  1.14E+4nMAssay 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 subunitsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium channel subfamily K member 9(Homo sapiens (Human))
Universidad De Talca

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Affinity DataIC50:  6.34E+4nMAssay Description:Inhibition of human TASK3 expressed in HEK293 cells by Ti+ flux assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent neutral amino acid transporter B(0)AT2(Homo sapiens (Human))
Max Planck Institute Of Psychiatry

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Affinity DataIC50:  4.00E+3nMAssay Description:Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlatelet-activating factor receptor(Homo sapiens (Human))
Organon Laboratories

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Affinity DataIC50: >5.00E+4nMAssay Description:Concentration required to cause 50% inhibition of platelet activating factor (PAF)-induced platelet aggregation of human platelet rich plasma when ch...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistamine H1 receptor(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Affinity DataIC50:  1.50E+6nMAssay Description:The specific binding of the radioactive ligand to the receptor was defined as the difference between total binding and nonspecific binding, determine...More data for this Ligand-Target Pair
In DepthDetails US PatentDrugBank

TargetHistamine H1 receptor(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Affinity DataIC50:  1.50E+6nMAssay Description:Affinities of the test compounds for peripheral human histamine H-4-receptors were assessed using receptor-binding assays. The specific binding of th...More data for this Ligand-Target Pair
In DepthDetails US PatentDrugBank

TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Gedeon Richter

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Affinity DataIC50:  174nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM22876(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Affinity DataIC50: >3.00E+4nMAssay 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
In DepthDetails ArticlePubMed