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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 = 'BDBM50171884'   
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))
BDBM50171884
PNG
(4-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propoxy...)
Show SMILES COc1ccccc1N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1
Show InChI InChI=1S/C23H29N3O4/c1-29-19-6-3-2-5-18(19)25-12-10-24(11-13-25)9-4-14-30-26-22(27)20-16-7-8-17(15-16)21(20)23(26)28/h2-3,5-8,16-17,20-21H,4,9-15H2,1H3
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0210n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of [3H]-8-OH-DPAT binding to Serotonin 5-HT1A receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50171884
PNG
(4-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propoxy...)
Show SMILES COc1ccccc1N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1
Show InChI InChI=1S/C23H29N3O4/c1-29-19-6-3-2-5-18(19)25-12-10-24(11-13-25)9-4-14-30-26-22(27)20-16-7-8-17(15-16)21(20)23(26)28/h2-3,5-8,16-17,20-21H,4,9-15H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of 0.4 nM [3H]-ketanserin binding to Serotonin 5-HT2A receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair