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BDBM50017433 3,3-Dioxo-4-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl]-3lambda*6*-thia-4-aza-tricyclo[5.2.1.0*2,6*]decan-5-one; dihydrochloride::CHEMBL3216623::CHEMBL542043

SMILES: Cl.Cl.O=C1C2C3CCC(C3)C2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1

InChI Key: InChIKey=DYYMPDCWQBGYRC-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50017433   
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))		BDBM50017433
PNG
(3,3-Dioxo-4-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Show SMILES Cl.Cl.O=C1C2C3CCC(C3)C2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C20H29N5O3S/c26-19-17-15-4-5-16(14-15)18(17)29(27,28)25(19)9-2-1-8-23-10-12-24(13-11-23)20-21-6-3-7-22-20/h3,6-7,15-18H,1-2,4-5,8-14H2
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 53n/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 the value ranges from 48 to 59

J Med Chem 32: 1024-33 (1989)


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