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SMILES: CCC(=O)N(C1CCN(CCCOc2ccc(F)cc2)CC1)C1CCCCCCC1

InChI Key: InChIKey=LQAZWKSHGLDNPG-UHFFFAOYSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50093777   
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 2A


(Homo sapiens (Human))
BDBM50093777
PNG
(CHEMBL81377 | N-Cyclooctyl-N-{1-[3-(4-fluoro-pheno...)
Show SMILES CCC(=O)N(C1CCN(CCCOc2ccc(F)cc2)CC1)C1CCCCCCC1
Show InChI InChI=1S/C25H39FN2O2/c1-2-25(29)28(22-9-6-4-3-5-7-10-22)23-15-18-27(19-16-23)17-8-20-30-24-13-11-21(26)12-14-24/h11-14,22-23H,2-10,15-20H2,1H3
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
20n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals A/S

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding against 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 10: 2435-9 (2001)


BindingDB Entry DOI: 10.7270/Q2V69HTT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50093777
PNG
(CHEMBL81377 | N-Cyclooctyl-N-{1-[3-(4-fluoro-pheno...)
Show SMILES CCC(=O)N(C1CCN(CCCOc2ccc(F)cc2)CC1)C1CCCCCCC1
Show InChI InChI=1S/C25H39FN2O2/c1-2-25(29)28(22-9-6-4-3-5-7-10-22)23-15-18-27(19-16-23)17-8-20-30-24-13-11-21(26)12-14-24/h11-14,22-23H,2-10,15-20H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 13n/an/an/an/an/an/a



ACADIA Pharmaceuticals A/S

Curated by ChEMBL


Assay Description
Compound was evaluated for its inverse agonist activity against 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 10: 2435-9 (2001)


BindingDB Entry DOI: 10.7270/Q2V69HTT
More data for this
Ligand-Target Pair