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BDBM50408827 CHEMBL348936

SMILES: CC(C)n1cc2C[C@@H]3[C@H](C=C(COC(=O)C4CCCC4)CN3C)c3cccc1c23

InChI Key: InChIKey=VHOCIKYVGXLBKW-FYYLOGMGSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50408827   
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))
BDBM50408827
PNG
(CHEMBL348936)
Show SMILES CC(C)n1cc2C[C@@H]3[C@H](C=C(COC(=O)C4CCCC4)CN3C)c3cccc1c23
Show InChI InChI=1S/C25H32N2O2/c1-16(2)27-14-19-12-23-21(20-9-6-10-22(27)24(19)20)11-17(13-26(23)3)15-29-25(28)18-7-4-5-8-18/h6,9-11,14,16,18,21,23H,4-5,7-8,12-13,15H2,1-3H3/t21-,23-/m1/s1
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PC sid
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Similars

Article
PubMed
n/an/an/a 8.91n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Blocking 5-HT2A receptor-mediated contractions of 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