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SMILES: CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN(C)S(C)(=O)=O)n2C)CC1

InChI Key: InChIKey=LHSABXGRGVEJGB-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50029287   
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))		BDBM50029287
PNG
(N-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN(C)S(C)(=O)=O)n2C)CC1
Show InChI InChI=1S/C22H34N4O3S/c1-18(2)29-22-9-7-6-8-21(22)26-14-12-25(13-15-26)17-20-11-10-19(24(20)4)16-23(3)30(5,27)28/h6-11,18H,12-17H2,1-5H3
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KEGG

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PC sid
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Similars
PubMed
 4.60n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against 5-hydroxytryptamine 1A receptor using [3H]WB-4101

J Med Chem 38: 4198-210 (1995)


BindingDB Entry DOI: 10.7270/Q2GX4C61
More data for this
Ligand-Target Pair