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SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2c(C)cccc2C#N)c-31

InChI Key InChIKey=APEZAWGOFKUHCA-JOCHJYFZSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50098549   

Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
NPS Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50098549((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...)copy SMILEScopy InChI
Affinity DataKi:  1nMAssay Description:Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSDMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q25T3JTZPubMed
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50098549((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...)copy SMILEScopy InChI
Affinity DataKi:  3.79nMAssay Description:Inhibition of [3H]-5-HT binding to rat 5-hydroxytryptamine 7 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FQ9W2ZPubMed
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
NPS Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50098549((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...)copy SMILEScopy InChI
Affinity DataKi:  3.80nMAssay Description:Displacement of [3H]-LSD from human 5-HT7 receptor expresssed in stable HEK cell membrane incubated for 90 mins by microbeta counting methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22B92KJPubMed
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50098549((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...)copy SMILEScopy InChI
Affinity DataKi:  4nMAssay Description:Binding affinity towards cloned rat 5-hydroxytryptamine 7 receptor was determined using [3H]5-HT as radioligandMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29W0J74PubMed
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50098549((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...)copy SMILEScopy InChI
Affinity DataKi:  20.8nMAssay Description:Displacement of [3H]-5-HT from rat 5-hydroxytryptamine 7 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q23X85WMPubMed
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50098549((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...)copy SMILEScopy InChI
Affinity DataKi:  20.8nMAssay Description:Displacement of [3H]-5-HT from rat 5-hydroxytryptamine 7 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q23X85WMPubMed
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
NPS Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50098549((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...)copy SMILEScopy InChI
Affinity DataKi:  20.8nMAssay Description:Binding affinity towards human 5-hydroxytryptamine 7 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M0465FPubMed
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
NPS Pharmaceuticals Inc.

Curated by ChEMBL
LigandPNGBDBM50098549((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...)copy SMILEScopy InChI
Affinity DataKi:  20.8nMAssay Description:Binding affinity towards human 5-hydroxytryptamine 7 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M0465FPubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50098549((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...)copy SMILEScopy InChI
Affinity DataKi:  21nMAssay Description:Displacement of [3H]5-HT from rat SERTMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22J6CPJPubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50098549((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...)copy SMILEScopy InChI
Affinity DataKi:  21nMAssay Description:Displacement of [3H]5-HT from rat SERTMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22J6CPJPubMed
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50098549((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...)copy SMILEScopy InChI
Affinity DataKi:  140nMAssay Description:Displacement of [3H]8-OH-DPAT from rat 5HT1A receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22J6CPJPubMed
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50098549((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...)copy SMILEScopy InChI
Affinity DataKi:  140nMAssay Description:Displacement of [3H]8-OH-DPAT from rat 5HT1A receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22J6CPJPubMed
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50098549((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...)copy SMILEScopy InChI
Affinity DataKi:  142nMAssay Description:Inhibition of [3H]-8-OH-DPAT binding to rat 5-hydroxytryptamine 1A receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FQ9W2ZPubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
City University of New York

Curated by ChEMBL
LigandPNGBDBM50098549((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...)copy SMILEScopy InChI
Affinity DataKi:  142nMAssay Description:Displacement of [3H]-WAY100635 from human 5-HT1A receptor expresssed in stable CHO cell membrane incubated for 90 mins by microbeta counting methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22B92KJPubMed
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50098549((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...)copy SMILEScopy InChI
Affinity DataKi:  498nMAssay Description:Inhibition of [3H]-Raclopride binding to Dopamine receptor D2A in ratMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FQ9W2ZPubMed
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50098549((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...)copy SMILEScopy InChI
Affinity DataKi:  500nMAssay Description:Displacement of [3H]raclopride from rat dopamine D2 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22J6CPJPubMed
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50098549((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...)copy SMILEScopy InChI
Affinity DataKi:  500nMAssay Description:Displacement of [3H]raclopride from rat dopamine D2 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22J6CPJPubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
City University of New York

Curated by ChEMBL
LigandPNGBDBM50098549((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...)copy SMILEScopy InChI
Affinity DataKi:  778nMAssay Description:Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q23X85WMPubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
City University of New York

Curated by ChEMBL
LigandPNGBDBM50098549((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...)copy SMILEScopy InChI
Affinity DataKi:  778nMAssay Description:Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q23X85WMPubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50098549((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...)copy SMILEScopy InChI
Affinity DataKi:  2.47E+3nMAssay Description:Displacement of [3H]-Raclopride from human dopamine receptor D2A expressed in mouse Ltk cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q23X85WMPubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50098549((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...)copy SMILEScopy InChI
Affinity DataKi:  2.47E+3nMAssay Description:Displacement of [3H]-Raclopride from human dopamine receptor D2A expressed in mouse Ltk cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q23X85WMPubMed