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BDBM50017445 4-{4-[4-(3-Chloro-phenyl)-piperazin-1-yl]-butyl}-3,3-dioxo-10-oxa-3lambda*6*-thia-4-aza-tricyclo[5.2.1.0*2,6*]decan-5-one; dihydrochloride::CHEMBL3215969::CHEMBL542292

SMILES: Cl.Cl.Cl.Clc1cccc(c1)N1CCN(CCCCN2C(=O)C3C4CCC(O4)C3S2(=O)=O)CC1

InChI Key: InChIKey=GIDFGKWCHWUNIN-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50017445   
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))		BDBM50017445
PNG
(4-{4-[4-(3-Chloro-phenyl)-piperazin-1-yl]-butyl}-3...)
Show SMILES Cl.Cl.Cl.Clc1cccc(c1)N1CCN(CCCCN2C(=O)C3C4CCC(O4)C3S2(=O)=O)CC1
Show InChI InChI=1S/C21H28ClN3O4S/c22-15-4-3-5-16(14-15)24-12-10-23(11-13-24)8-1-2-9-25-21(26)19-17-6-7-18(29-17)20(19)30(25,27)28/h3-5,14,17-20H,1-2,6-13H2
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 34n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus and value ranges from 27 - 42

J Med Chem 32: 1024-33 (1989)


BindingDB Entry DOI: 10.7270/Q21G0MVD
More data for this
Ligand-Target Pair