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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serotonin (5-HT) receptor' and Ligand = 'BDBM50054991'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50054991
PNG
(1-[2-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...)
Show SMILES COc1cccc2C(CCN3CCN(CC3)c3ccccc3)CCCc12
Show InChI InChI=1S/C23H30N2O/c1-26-23-12-6-10-21-19(7-5-11-22(21)23)13-14-24-15-17-25(18-16-24)20-8-3-2-4-9-20/h2-4,6,8-10,12,19H,5,7,11,13-18H2,1H3
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KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 2A receptor was evaluated using [3H]- ketanserin as radioligand


J Med Chem 39: 4928-34 (1997)


Article DOI: 10.1021/jm9604538
BindingDB Entry DOI: 10.7270/Q2ZG6SX1
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50054991
PNG
(1-[2-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...)
Show SMILES COc1cccc2C(CCN3CCN(CC3)c3ccccc3)CCCc12
Show InChI InChI=1S/C23H30N2O/c1-26-23-12-6-10-21-19(7-5-11-22(21)23)13-14-24-15-17-25(18-16-24)20-8-3-2-4-9-20/h2-4,6,8-10,12,19H,5,7,11,13-18H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 1A receptor was evaluated using [3H]8-OH-DPAT as radioligand


J Med Chem 39: 4928-34 (1997)


Article DOI: 10.1021/jm9604538
BindingDB Entry DOI: 10.7270/Q2ZG6SX1
More data for this
Ligand-Target Pair