BindingDB logo
myBDB logout

BDBM50102318 2-{2-[4-(5,5-Dioxo-5H-5lambda*6*-dibenzo[b,f][1,4]thiazepin-11-yl)-piperazin-1-yl]-ethoxy}-ethanol::CHEMBL126526

SMILES: OCCOCCN1CCN(CC1)C1=Nc2ccccc2S(=O)(=O)c2ccccc12

InChI Key: InChIKey=SQUTWXZEWJNIQN-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50102318   
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50102318
PNG
(2-{2-[4-(5,5-Dioxo-5H-5lambda*6*-dibenzo[b,f][1,4]...)
Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C21H25N3O4S/c25-14-16-28-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)29(26,27)20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
Reactome pathway
KEGG

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 132n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of spiropiperidone binding at dopamine receptor D2 of rat.


J Med Chem 44: 372-89 (2001)


Article DOI: 10.1021/jm000242+
BindingDB Entry DOI: 10.7270/Q2639P1N
More data for this
Ligand-Target Pair