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BDBM50017435 4-{4-[4-(2-pyrimidinyl)hexahydro-1-pyrazinyl]butyl}-5-sulfo-4-azatetracyclo[5.3.2.02,6.08,10]dodecan-3-one; Hydrochloride::CHEMBL543960

SMILES: O=C1C2C(C3CCC2C2CC32)S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1

InChI Key: InChIKey=GWEHWQYNZHXNCX-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50017435   
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))		BDBM50017435
PNG
(4-{4-[4-(2-pyrimidinyl)hexahydro-1-pyrazinyl]butyl...)
Show SMILES O=C1C2C(C3CCC2C2CC32)S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C22H31N5O3S/c28-21-19-15-4-5-16(18-14-17(15)18)20(19)31(29,30)27(21)9-2-1-8-25-10-12-26(13-11-25)22-23-6-3-7-24-22/h3,6-7,15-20H,1-2,4-5,8-14H2
PDB

KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 21n/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 16 - 27

J Med Chem 32: 1024-33 (1989)


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