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BDBM50007501 2-{3-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]-propoxy}-isoindole-1,3-dione(HCl)::CHEMBL10682

SMILES: FC(F)(F)c1cccc(c1)N1CCN(CCCON2C(=O)c3ccccc3C2=O)CC1

InChI Key: InChIKey=CEFKGZFOFOYUQV-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50007501   
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))
BDBM50007501
PNG
(2-{3-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCON2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C22H22F3N3O3/c23-22(24,25)16-5-3-6-17(15-16)27-12-10-26(11-13-27)9-4-14-31-28-20(29)18-7-1-2-8-19(18)21(28)30/h1-3,5-8,15H,4,9-14H2
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Compound was measured for affinity at Dopamine receptor D2 labeled with [3H]spiroperidol radioligand in striatum tissue


J Med Chem 34: 1068-72 (1991)


Article DOI: 10.1021/jm00107a028
BindingDB Entry DOI: 10.7270/Q2D21Z6P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007501
PNG
(2-{3-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCON2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C22H22F3N3O3/c23-22(24,25)16-5-3-6-17(15-16)27-12-10-26(11-13-27)9-4-14-31-28-20(29)18-7-1-2-8-19(18)21(28)30/h1-3,5-8,15H,4,9-14H2
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.30E+3n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1A receptor labeled with [3H]8-OH-DPAT radioligand in hippocampus tissue


J Med Chem 34: 1068-72 (1991)


Article DOI: 10.1021/jm00107a028
BindingDB Entry DOI: 10.7270/Q2D21Z6P
More data for this
Ligand-Target Pair