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BDBM50007689 8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-3-hydroxy-butyl]-2-hydroxy-8-aza-spiro[4.5]decane-7,9-dione (HCl.0.2H2O)::CHEMBL114131

SMILES: OC(CCN1C(=O)CC2(CCC(O)C2)CC1=O)CN1CCN(CC1)c1nsc2ccccc12

InChI Key: InChIKey=FEPIVRHFKXOYNY-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50007689   
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))
BDBM50007689
PNG
(8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-3-...)
Show SMILES OC(CCN1C(=O)CC2(CCC(O)C2)CC1=O)CN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C24H32N4O4S/c29-17-5-7-24(13-17)14-21(31)28(22(32)15-24)8-6-18(30)16-26-9-11-27(12-10-26)23-19-3-1-2-4-20(19)33-25-23/h1-4,17-18,29-30H,5-16H2
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Article
PubMed
n/an/a 491n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 in rat corpus striatal tissue using [3H]-spiperone as radioligand


J Med Chem 34: 3316-28 (1991)


Article DOI: 10.1021/jm00115a024
BindingDB Entry DOI: 10.7270/Q29Z93VX
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50007689
PNG
(8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-3-...)
Show SMILES OC(CCN1C(=O)CC2(CCC(O)C2)CC1=O)CN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C24H32N4O4S/c29-17-5-7-24(13-17)14-21(31)28(22(32)15-24)8-6-18(30)16-26-9-11-27(12-10-26)23-19-3-1-2-4-20(19)33-25-23/h1-4,17-18,29-30H,5-16H2
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PC sid
UniChem

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Article
PubMed
n/an/a 7.20n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in rat cerebral cortex tissue using [3H]WB-4101 as radioligand


J Med Chem 34: 3316-28 (1991)


Article DOI: 10.1021/jm00115a024
BindingDB Entry DOI: 10.7270/Q29Z93VX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007689
PNG
(8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-3-...)
Show SMILES OC(CCN1C(=O)CC2(CCC(O)C2)CC1=O)CN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C24H32N4O4S/c29-17-5-7-24(13-17)14-21(31)28(22(32)15-24)8-6-18(30)16-26-9-11-27(12-10-26)23-19-3-1-2-4-20(19)33-25-23/h1-4,17-18,29-30H,5-16H2
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Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2 receptor in rat cerebral cortex tissue using [3H]-spiperone as radioligand


J Med Chem 34: 3316-28 (1991)


Article DOI: 10.1021/jm00115a024
BindingDB Entry DOI: 10.7270/Q29Z93VX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007689
PNG
(8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-3-...)
Show SMILES OC(CCN1C(=O)CC2(CCC(O)C2)CC1=O)CN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C24H32N4O4S/c29-17-5-7-24(13-17)14-21(31)28(22(32)15-24)8-6-18(30)16-26-9-11-27(12-10-26)23-19-3-1-2-4-20(19)33-25-23/h1-4,17-18,29-30H,5-16H2
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor using in rat hippocampal tissue using [3H]-8-OH-DPAT as radioligand


J Med Chem 34: 3316-28 (1991)


Article DOI: 10.1021/jm00115a024
BindingDB Entry DOI: 10.7270/Q29Z93VX
More data for this
Ligand-Target Pair