null

SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13

InChI Key InChIKey=YEHCICAEULNIGD-MZMPZRCHSA-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 46 hits for monomerid = 50028421   

TargetD(3) dopamine receptor(Rattus norvegicus (Rat))
U. 109

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  0.620nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CC0Z5NPubMed
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M043X2PubMed
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  1.01nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2V1239RPubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  1.91nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MG7N2FPubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
U. 109

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  2.30nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2QR4VK6PubMed
Target5-hydroxytryptamine receptor 7(GUINEA PIG)
Syntex Discovery Research

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  2.95nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2610XTRPubMed
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  4.78nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M043X2PubMed
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  4.78nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2V1239RPubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
U. 109

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  5.5nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MG7N2FPubMed
Target5-hydroxytryptamine receptor 2B(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  7.08nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MG7N2FPubMedDrugBank
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Université Catholique de Louvain

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  7.80nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HX1B5BPubMed
TargetD(2) dopamine receptor(Mus musculus (Mouse))
NOVO Industri A/S

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  7.80nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21R6P1HPubMed
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  8.32nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MG7N2FPubMed
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  13.2nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MG7N2FPubMedDrugBank
Target5-hydroxytryptamine receptor 7(GUINEA PIG)
Syntex Discovery Research

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  17.8nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2610XTRPubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
U. 109

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  19nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2QR4VK6PubMedDrugBank
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Université Catholique de Louvain

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  21nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CC0Z5NPubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
U. 109

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  25.7nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MG7N2FPubMedDrugBank
Target5-hydroxytryptamine receptor 6(RAT)
National Institute of Neurological Disorders and Stroke

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  29.9nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2ST7NCGPubMed
Target5-hydroxytryptamine receptor 6(RAT)
National Institute of Neurological Disorders and Stroke

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  30.2nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M043X2PubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
U. 109

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  31.6nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MG7N2FPubMedDrugBank
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  32.4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MG7N2FPubMed
TargetD(1B) dopamine receptor(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  33.1nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MG7N2FPubMed
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  50.1nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MG7N2FPubMed
TargetD(4) dopamine receptor(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  53.2nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q29K48SDPubMedDrugBank
TargetD(4) dopamine receptor(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  58.9nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MG7N2FPubMedDrugBank
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  67.6nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MG7N2FPubMed
Target5-hydroxytryptamine receptor 1B(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  282nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MG7N2FPubMedDrugBank
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  295nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MG7N2FPubMedDrugBank
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  295nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MG7N2FPubMedDrugBank
TargetD(1A) dopamine receptor(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  339nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MG7N2FPubMedDrugBank
TargetD(1A) dopamine receptor(Mus musculus (Mouse))
NOVO Industri A/S

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  400nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21R6P1HPubMed
TargetD(1A) dopamine receptor(RAT)
Université Catholique de Louvain

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  400nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HX1B5BPubMed
TargetAlpha-1B adrenergic receptor(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  692nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MG7N2FPubMed
TargetD(1B) dopamine receptor(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  918nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NV9GQRPubMed
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  1.05E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MG7N2FPubMedDrugBank
TargetD(1A) dopamine receptor(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  1.36E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NV9GQRPubMedDrugBank
TargetHistamine H1 receptor(Cavia porcellus (domestic guinea pig))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi:  1.70E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MG7N2FPubMed
TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MG7N2FPubMed
TargetBeta-1 adrenergic receptor(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2MG7N2FPubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)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
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)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
TargetBile salt export pump(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)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
TargetD(1A)/D(2) dopamine receptor(BOVINE)
TBA

Curated by ChEMBL
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataIC50: 50nMAssay Description:In vitro binding affinity towards dopamine receptor was determined in bovine anterior pituitary membrane using [3H]dihydroergocriptine as the radioli...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2319Z2SPubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)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
TargetD(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50028421(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)copy SMILEScopy InChI
Affinity DataIC50: 70nMAssay Description:In vitro binding affinity towards dopamine receptor was determined in rat striatal membrane using [3H]spiroperidol as the radioligandMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2319Z2SPubMed