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BDBM50020115 4-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-4-aza-tricyclo[5.2.1.0*2,6*]decane-3,5-dione;C4H4O4::CHEMBL28764

SMILES: O=C1C2C3CCC(C3)C2C(=O)N1CCCCN1CCN(CC1)c1ncccn1

InChI Key: InChIKey=CEIJFEGBUDEYSX-UHFFFAOYNA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50020115   
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))
BDBM50020115
PNG
(4-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-4-az...)
Show SMILES O=C1C2C3CCC(C3)C2C(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2
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Similars

Article
PubMed
9n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.


J Med Chem 31: 1382-92 (1988)


Article DOI: 10.1021/jm00402a023
BindingDB Entry DOI: 10.7270/Q2PC32Z4
More data for this
Ligand-Target Pair