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SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C

InChI Key InChIKey=FELGMEQIXOGIFQ-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

  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 38 hits for monomerid = 85330   

TargetSolute carrier family 22 member 2(Homo sapiens (Human))
University of California-San Francisco

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
Affinity DataIC50: 890nMAssay Description:Inhibition of human OCT2 expressed in HEK-293-Flp-In cells incubated for 3 mins by ASP+ substrate uptake assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26W9C5NPubMed
TargetSolute carrier family 22 member 1(Homo sapiens (Human))
University of California-San Francisco

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human OCT1 expressed in HEK-293-Flp-In cells incubated for 3 mins by ASP+ substrate uptake assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26W9C5NPubMed
TargetMultidrug and toxin extrusion protein 1(Homo sapiens (Human))
University of California-San Francisco

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
Affinity DataIC50: 150nMAssay Description:Inhibition of human MATE1 expressed in HEK-293-Flp-In cells incubated for 3 mins by ASP+ substrate uptake assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26W9C5NPubMed
TargetMultidrug and toxin extrusion protein 2(Homo sapiens (Human))
University of California-San Francisco

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
Affinity DataIC50: 6.90E+3nMAssay Description:Inhibition of human MATE2-K expressed in HEK-293-Flp-In cells incubated for 3 mins by ASP+ substrate uptake assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26W9C5NPubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
TCG Lifesciences Ltd.

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
Affinity DataIC50: 813nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WQ052WPubMed
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
Affinity DataIC50: 1.90nMAssay Description:Displacement of [3H]Q-ICS-205-930 from 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranesMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
Affinity DataIC50: 6.80nMAssay Description:Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor from rat cortical homogenate using [3H]-zacopride as radioligandMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
H. Lundbeck A/S

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
Affinity DataIC50: 0.0900nMAssay Description:Antagonist activity at human 5HT3A receptor expressed in xenopus oocytes assessed as inhibition of 5HT-induced effect by electrophysiological methodMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
TCG Lifesciences Ltd.

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
Affinity DataIC50: 400nMAssay Description:Inhibition of human ERG expressed in HEK cells by patch clamp techniqueMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2Z31ZVHPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
AMRI

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of human CYP3A4More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2Z31ZVHPubMedDrugBank
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Solvay Duphar B.V.

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Binding affinity against dopamine D2 receptor in rat brain synaptic membrane using [3H]-spiperone as radioligandMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q25Q4WN6PubMed
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
Affinity DataIC50: 7.10nMAssay Description:Binding affinity was evaluated in vitro by displacement of [3H]zacopride radioligand from 5-hydroxytryptamine 3 receptorMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-7(Rattus norvegicus (Rat))
University of Florida

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of the response to ACh when coapplied with Nicotinic acetylcholine receptor alpha7More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PK0GQWPubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
TCG Lifesciences Ltd.

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
Affinity DataIC50: 813nMAssay Description:Inhibition of human Potassium channel HERG expressed in mammalian cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2QZ2BGZPubMed
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
Affinity DataIC50: 46nMAssay Description:Inhibition of [3H]BRL-43694 binding to rat 5-hydroxytryptamine 3 receptorMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Solvay Duphar B.V.

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of the binding of radioligand [3H]spiperone to dopamine receptor D2 in rat brain synaptic membraneMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25H7H06PubMed
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
Affinity DataIC50: 1.54nMAssay Description:Concentration required to inhibit the binding of radioligand [3H]GR-65630 to serotonin 5-hydroxytryptamine-3 receptor (5-HT 3 receptor)in rat brain c...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
Affinity DataIC50: 1.40nMAssay Description:Binding affinity against 5-hydroxytryptamine 3 receptor in rat cortical membrane using [3H]GR-65630 as radioligandMore data for this Ligand-Target Pair
TargetMultidrug and toxin extrusion protein 2(Homo sapiens (Human))
University of California-San Francisco

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
Affinity DataIC50: 300nMAssay Description:Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2F76DWZPubMed
TargetMultidrug and toxin extrusion protein 1(Homo sapiens (Human))
University of California-San Francisco

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
Affinity DataIC50: 160nMAssay Description:Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2F76DWZPubMed
TargetMultidrug and toxin extrusion protein 2(Homo sapiens (Human))
University of California-San Francisco

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
Affinity DataIC50: 160nMAssay Description:Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells up to 500 uM after 1.5 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2F76DWZPubMed
TargetSolute carrier family 22 member 3(Homo sapiens (Human))
University of California

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
Affinity DataIC50: 1.74E+4nMAssay Description:Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2F76DWZPubMed
TargetSolute carrier family 22 member 1(Homo sapiens (Human))
University of California-San Francisco

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+5nMAssay Description:Inhibition of human OCT1-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2F76DWZPubMed
TargetSolute carrier family 22 member 2(Homo sapiens (Human))
University of California-San Francisco

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2F76DWZPubMed
TargetMultidrug and toxin extrusion protein 1(Homo sapiens (Human))
University of California-San Francisco

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
Affinity DataIC50: 30nMAssay Description:Inhibition of human MATE1-mediated [14]-metformin uptake expressed in HEK293 cells after 1.5 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2F76DWZPubMed
TargetSolute carrier family 22 member 1(Homo sapiens (Human))
University of California-San Francisco

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
Affinity DataIC50: 2.04E+4nMAssay Description:Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopyMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23779MDPubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
TCG Lifesciences Ltd.

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
Affinity DataIC50: 813nMAssay Description:Inhibitory concentration against potassium channel HERGMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29S1S7CPubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
H. Lundbeck A/S

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of SERT-mediated [3H]5HT uptake in rat synaptosomes by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W37XFCPubMed
Target5-hydroxytryptamine receptor 3A(RAT)
Syntex Discovery Research

Curated by PDSP Ki Database
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
Affinity DataIC50: 0.160nMAssay Description:Binding affinity to rat 5HT3A receptorMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
TCG Lifesciences Ltd.

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
Affinity DataIC50: 813nMAssay Description:Inhibition of human ERG expressed in CHO cells by whole cell patch clamp techniqueMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25D8T25PubMed
Target5-hydroxytryptamine receptor 3A/3B(Rattus norvegicus)
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
Affinity DataIC50: 1.90nMAssay Description:Displacement of [3H]-Q-ICS 205-930 binding to 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes.More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-3/beta-4(Homo sapiens (Human))
University of Florida

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
Affinity DataIC50: 2.70E+4nMAssay Description:Antagonism of ACh-evoked responses at human Nicotinic acetylcholine receptor alpha3-beta4 expressed in xenopus oocytesMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PK0GQWPubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
Affinity DataIC50: 6.60E+4nMAssay Description:Antagonism of ACh-evoked responses at human Nicotinic acetylcholine receptor alpha3-beta4 expressed in xenopus oocytesMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PK0GQWPubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen Inc.

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
Affinity DataIC50: 1.35E+5nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26Q20JNPubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen Inc.

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM85330(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed