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SMILES: C1Cn2c3CCCCCCc3c3cccc(CN1)c23

InChI Key: InChIKey=FEOKYCHGJRHIDE-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50145565   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50145565
PNG
(1,2,3,4,8,9,10,11,12,13-decahydrocycloocta[b][1,4]...)
Show SMILES C1Cn2c3CCCCCCc3c3cccc(CN1)c23
Show InChI InChI=1S/C17H22N2/c1-2-4-9-16-14(7-3-1)15-8-5-6-13-12-18-10-11-19(16)17(13)15/h5-6,8,18H,1-4,7,9-12H2
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Article
PubMed
13n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic binding affinity against human 5-hydroxytryptamine 2C receptor in CHO cells using [125I]- DOI


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50145565
PNG
(1,2,3,4,8,9,10,11,12,13-decahydrocycloocta[b][1,4]...)
Show SMILES C1Cn2c3CCCCCCc3c3cccc(CN1)c23
Show InChI InChI=1S/C17H22N2/c1-2-4-9-16-14(7-3-1)15-8-5-6-13-12-18-10-11-19(16)17(13)15/h5-6,8,18H,1-4,7,9-12H2
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Article
PubMed
36n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic binding affinity of the compound against human 5-hydroxytryptamine 2A receptor in CHO cells using 8-OH-DPA radioligand


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50145565
PNG
(1,2,3,4,8,9,10,11,12,13-decahydrocycloocta[b][1,4]...)
Show SMILES C1Cn2c3CCCCCCc3c3cccc(CN1)c23
Show InChI InChI=1S/C17H22N2/c1-2-4-9-16-14(7-3-1)15-8-5-6-13-12-18-10-11-19(16)17(13)15/h5-6,8,18H,1-4,7,9-12H2
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Article
PubMed
665n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity of the compound against dopamine receptor D1A


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50145565
PNG
(1,2,3,4,8,9,10,11,12,13-decahydrocycloocta[b][1,4]...)
Show SMILES C1Cn2c3CCCCCCc3c3cccc(CN1)c23
Show InChI InChI=1S/C17H22N2/c1-2-4-9-16-14(7-3-1)15-8-5-6-13-12-18-10-11-19(16)17(13)15/h5-6,8,18H,1-4,7,9-12H2
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Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity of the compound against 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50145565
PNG
(1,2,3,4,8,9,10,11,12,13-decahydrocycloocta[b][1,4]...)
Show SMILES C1Cn2c3CCCCCCc3c3cccc(CN1)c23
Show InChI InChI=1S/C17H22N2/c1-2-4-9-16-14(7-3-1)15-8-5-6-13-12-18-10-11-19(16)17(13)15/h5-6,8,18H,1-4,7,9-12H2
PDB
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Reactome pathway
KEGG

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Article
PubMed
n/an/an/an/a 6.40E+4n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of the compound against human 5-hydroxytryptamine 2A receptor in CHO cells using 8-OH-DPA radioligand


Bioorg Med Chem Lett 14: 2603-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.100
BindingDB Entry DOI: 10.7270/Q2QZ29F3
More data for this
Ligand-Target Pair