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BDBM50122420 1-Benzo[1,3]dioxol-5-yl-4-[4-(4-methoxy-benzyl)-piperazin-1-yl]-cyclohexanol::CHEMBL98932

SMILES: COc1ccc(CN2CCN(CC2)C2CCC(O)(CC2)c2ccc3OCOc3c2)cc1

InChI Key: InChIKey=VYBRRIOXWJMFAQ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50122420   
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))
BDBM50122420
PNG
(1-Benzo[1,3]dioxol-5-yl-4-[4-(4-methoxy-benzyl)-pi...)
Show SMILES COc1ccc(CN2CCN(CC2)C2CCC(O)(CC2)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C25H32N2O4/c1-29-22-5-2-19(3-6-22)17-26-12-14-27(15-13-26)21-8-10-25(28,11-9-21)20-4-7-23-24(16-20)31-18-30-23/h2-7,16,21,28H,8-15,17-18H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 380n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of the 5-hydroxytryptamine 1A receptor in rat dorsal raphe


Bioorg Med Chem Lett 13: 285-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00879-x
BindingDB Entry DOI: 10.7270/Q2251HJQ
More data for this
Ligand-Target Pair