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BDBM50408831 CHEMBL345374

SMILES: CC(C)n1cc2C[C@@H]3[C@H](C[C@@H](COC(=O)C4CCC4)CN3C)c3cccc1c23

InChI Key: InChIKey=LKOGFFQZOLUNGG-BSLALVQMSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50408831   
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))
BDBM50408831
PNG
(CHEMBL345374)
Show SMILES CC(C)n1cc2C[C@@H]3[C@H](C[C@@H](COC(=O)C4CCC4)CN3C)c3cccc1c23
Show InChI InChI=1S/C24H32N2O2/c1-15(2)26-13-18-11-22-20(19-8-5-9-21(26)23(18)19)10-16(12-25(22)3)14-28-24(27)17-6-4-7-17/h5,8-9,13,15-17,20,22H,4,6-7,10-12,14H2,1-3H3/t16-,20-,22-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/a 8.71n/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