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BDBM50064946 4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-hydroxy-butyl]-piperidin-4-ol::CHEMBL1036::Hydroxyhaloperidol

SMILES: OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1

InChI Key: InChIKey=WNZBBTJFOIOEMP-UHFFFAOYSA-N

Data: 5 KI

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 5 hits for monomerid = 50064946   
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
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM50064946
PNG
(4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-hydro...)
Show SMILES OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2
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PubMed
2.30n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting


Eur J Med Chem 46: 433-8 (2010)

More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50064946
PNG
(4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-hydro...)
Show SMILES OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2
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PubMed
14.3n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)

More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50064946
PNG
(4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-hydro...)
Show SMILES OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2
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14.3n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)

More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50064946
PNG
(4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-hydro...)
Show SMILES OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2
Reactome pathway
KEGG

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CHEMBL
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PubMed
232n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement radioligand form dopamine D2 receptor in rat striatum by liquid scintillation counting


Eur J Med Chem 46: 433-8 (2010)

More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50064946
PNG
(4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-hydro...)
Show SMILES OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2
KEGG

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PubMed
1.10E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement radioligand form dopamine D3 receptor in rat olfactory tubercle by liquid scintillation counting


Eur J Med Chem 46: 433-8 (2010)

More data for this
Ligand-Target Pair