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BDBM50007499 8-{3-[4-(1,1-Dioxo-1H-1lambda*6*-benzo[d]isothiazol-3-yl)-piperazin-1-yl]-propoxy}-8-aza-spiro[4.5]decane-7,9-dione::CHEMBL10658

SMILES: O=C1CC2(CCCC2)CC(=O)N1OCCCN1CCN(CC1)C1=NS(=O)(=O)c2ccccc12

InChI Key: InChIKey=NZLUWSOLFYRHOA-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50007499   
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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50007499
PNG
(8-{3-[4-(1,1-Dioxo-1H-1lambda*6*-benzo[d]isothiazo...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1OCCCN1CCN(CC1)C1=NS(=O)(=O)c2ccccc12 |t:25|
Show InChI InChI=1S/C23H30N4O5S/c28-20-16-23(8-3-4-9-23)17-21(29)27(20)32-15-5-10-25-11-13-26(14-12-25)22-18-6-1-2-7-19(18)33(30,31)24-22/h1-2,6-7H,3-5,8-17H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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)


BindingDB Entry DOI: 10.7270/Q2D21Z6P
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50007499
PNG
(8-{3-[4-(1,1-Dioxo-1H-1lambda*6*-benzo[d]isothiazo...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1OCCCN1CCN(CC1)C1=NS(=O)(=O)c2ccccc12 |t:25|
Show InChI InChI=1S/C23H30N4O5S/c28-20-16-23(8-3-4-9-23)17-21(29)27(20)32-15-5-10-25-11-13-26(14-12-25)22-18-6-1-2-7-19(18)33(30,31)24-22/h1-2,6-7H,3-5,8-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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 5-hydroxytryptamine 2 receptor in rat cortical by [3H]spiroperidol displacement.


J Med Chem 34: 1068-72 (1991)


BindingDB Entry DOI: 10.7270/Q2D21Z6P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50007499
PNG
(8-{3-[4-(1,1-Dioxo-1H-1lambda*6*-benzo[d]isothiazo...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1OCCCN1CCN(CC1)C1=NS(=O)(=O)c2ccccc12 |t:25|
Show InChI InChI=1S/C23H30N4O5S/c28-20-16-23(8-3-4-9-23)17-21(29)27(20)32-15-5-10-25-11-13-26(14-12-25)22-18-6-1-2-7-19(18)33(30,31)24-22/h1-2,6-7H,3-5,8-17H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>2.00E+4n/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)


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