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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50020142   
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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50020142
PNG
(4-{4-[4-(3-chlorophenyl)hexahydro-1-pyrazinyl]buty...)
Show SMILES Clc1cccc(c1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CC43)C2=O)CC1 |c:22,(21.6,-11.25,;20.27,-12.02,;20.27,-13.58,;18.94,-14.33,;17.62,-13.56,;17.63,-12.02,;18.94,-11.25,;16.28,-11.25,;14.96,-12.02,;13.62,-11.25,;13.64,-9.72,;12.31,-8.95,;10.99,-9.72,;9.65,-8.95,;8.33,-9.72,;6.99,-8.95,;5.57,-9.58,;5.26,-11.06,;4.55,-8.43,;5.33,-7.09,;4.56,-5.77,;3.23,-6.58,;4.32,-7.67,;2.99,-8.46,;2.22,-7.11,;1.45,-5.77,;2.99,-5.77,;6.82,-7.43,;7.95,-6.38,;14.97,-8.95,;16.3,-9.72,)|
Show InChI InChI=1S/C25H30ClN3O2/c26-16-4-3-5-17(14-16)28-12-10-27(11-13-28)8-1-2-9-29-24(30)22-18-6-7-19(21-15-20(18)21)23(22)25(29)31/h3-7,14,18-23H,1-2,8-13,15H2
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PubMed
 14n/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