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BDBM50102323 2-{2-[4-(7-Fluoro-dibenzo[b,f][1,4]thiazepin-11-yl)-piperazin-1-yl]-ethoxy}-ethanol::CHEMBL340225

SMILES: OCCOCCN1CCN(CC1)C1=Nc2ccc(F)cc2Sc2ccccc12

InChI Key: InChIKey=KSAGXTGKRZNDFE-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50102323   
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))
BDBM50102323
PNG
(2-{2-[4-(7-Fluoro-dibenzo[b,f][1,4]thiazepin-11-yl...)
Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccc(F)cc2Sc2ccccc12
Show InChI InChI=1S/C21H24FN3O2S/c22-16-5-6-18-20(15-16)28-19-4-2-1-3-17(19)21(23-18)25-9-7-24(8-10-25)11-13-27-14-12-26/h1-6,15,26H,7-14H2
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Similars

Article
PubMed
n/an/a 560n/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