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BDBM50020126 4-{4-[4-(3-chlorophenyl)hexahydro-1-pyrazinyl]butyl}-4-azatetracyclo[5.4.2.02,6.08,11]tridec-12-ene-3,5-dione;Hydrochloride::CHEMBL418762

SMILES: Clc1cccc(c1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CCC43)C2=O)CC1

InChI Key: InChIKey=QDFOJWNWQBMVOL-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50020126   
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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50020126
PNG
(4-{4-[4-(3-chlorophenyl)hexahydro-1-pyrazinyl]buty...)
Show SMILES Clc1cccc(c1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CCC43)C2=O)CC1 |c:22,(26.79,-15.91,;25.45,-16.69,;25.45,-18.23,;24.13,-19,;22.79,-18.23,;22.81,-16.69,;24.14,-15.92,;21.47,-15.91,;20.13,-16.68,;18.81,-15.91,;18.81,-14.37,;17.5,-13.6,;16.15,-14.37,;14.82,-13.6,;13.49,-14.37,;12.16,-13.6,;11.98,-12.07,;13.13,-11.05,;10.49,-11.75,;9.7,-13.1,;8.16,-13.1,;9.48,-12.33,;8.38,-11.24,;9.72,-10.41,;8.16,-10.43,;6.81,-9.66,;6.04,-10.98,;7.39,-11.75,;10.73,-14.22,;10.43,-15.73,;20.15,-13.6,;21.47,-14.37,)|
Show InChI InChI=1S/C26H32ClN3O2/c27-17-4-3-5-18(16-17)29-14-12-28(13-15-29)10-1-2-11-30-25(31)23-21-8-9-22(24(23)26(30)32)20-7-6-19(20)21/h3-5,8-9,16,19-24H,1-2,6-7,10-15H2
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PubMed
 19n/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)


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