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BDBM50408840 CHEMBL347450

SMILES: CN1C[C@H](COC(=O)C2CCC2)C=C2[C@H]1Cc1c[nH]c3cccc2c13

InChI Key: InChIKey=HLUYVXUVNFJVLH-BFUOFWGJSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50408840   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50408840
PNG
(CHEMBL347450)
Show SMILES CN1C[C@H](COC(=O)C2CCC2)C=C2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C21H24N2O2/c1-23-11-13(12-25-21(24)14-4-2-5-14)8-17-16-6-3-7-18-20(16)15(10-22-18)9-19(17)23/h3,6-8,10,13-14,19,22H,2,4-5,9,11-12H2,1H3/t13-,19-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/a 0.741n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Partial agonism at 5-HT2A receptor was evaluated in presence of ketanserin (3-10 nM) in isolated rat tail artery


J Med Chem 42: 659-68 (1999)


Article DOI: 10.1021/jm981092u
BindingDB Entry DOI: 10.7270/Q21J9C0D
More data for this
Ligand-Target Pair