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BDBM50010618 (+)-3-(1-Propyl-piperidin-3-yl)-phenol::3-((R)-1-Propyl-piperidin-3-yl)-phenol::3-(1-Propyl-piperidin-3-yl)-phenol::3PPP,(-)::CHEMBL7393::cid_202478

SMILES: CCCN1CCC[C@@H](C1)c1cccc(O)c1

InChI Key: InChIKey=HTSNFXAICLXZMA-ZDUSSCGKSA-N

Data: 8 KI  9 IC50  2 EC50

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 19 hits for monomerid = 50010618   
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 non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010618
PNG
((+)-3-(1-Propyl-piperidin-3-yl)-phenol | 3-((R)-1-...)
Show SMILES CCCN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m0/s1
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6n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand


J Med Chem 48: 4754-64 (2005)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50010618
PNG
((+)-3-(1-Propyl-piperidin-3-yl)-phenol | 3-((R)-1-...)
Show SMILES CCCN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m0/s1
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155n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 81: 4983-7 (1984)


Article DOI: 10.1073/pnas.81.15.4983
BindingDB Entry DOI: 10.7270/Q2JM284N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50010618
PNG
((+)-3-(1-Propyl-piperidin-3-yl)-phenol | 3-((R)-1-...)
Show SMILES CCCN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m0/s1
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162n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 81: 4983-7 (1984)


Article DOI: 10.1073/pnas.81.15.4983
BindingDB Entry DOI: 10.7270/Q2JM284N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50010618
PNG
((+)-3-(1-Propyl-piperidin-3-yl)-phenol | 3-((R)-1-...)
Show SMILES CCCN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m0/s1
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189n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro affinity against Dopamine receptor D2 using [3H]DP-5,6-ADTN radioligand in rat striatal homogenate


J Med Chem 29: 1889-95 (1986)


BindingDB Entry DOI: 10.7270/Q2ZC83F6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50010618
PNG
((+)-3-(1-Propyl-piperidin-3-yl)-phenol | 3-((R)-1-...)
Show SMILES CCCN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m0/s1
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235n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




J Pharm Pharmacol 38: 374-9 (1986)


Article DOI: 10.1111/j.2042-7158.1986.tb04590.x
BindingDB Entry DOI: 10.7270/Q2JS9NXW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50010618
PNG
((+)-3-(1-Propyl-piperidin-3-yl)-phenol | 3-((R)-1-...)
Show SMILES CCCN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m0/s1
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280n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




J Pharm Pharmacol 38: 374-9 (1986)


Article DOI: 10.1111/j.2042-7158.1986.tb04590.x
BindingDB Entry DOI: 10.7270/Q2JS9NXW
More data for this
Ligand-Target Pair
C-8 sterol isomerase


(Saccharomyces cerevisiae)
BDBM50010618
PNG
((+)-3-(1-Propyl-piperidin-3-yl)-phenol | 3-((R)-1-...)
Show SMILES CCCN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for ERG2 of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand


J Med Chem 48: 4754-64 (2005)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
More data for this
Ligand-Target Pair
Anti-estrogen binding site (AEBS)


(Homo sapiens (Human))
BDBM50010618
PNG
((+)-3-(1-Propyl-piperidin-3-yl)-phenol | 3-((R)-1-...)
Show SMILES CCCN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m0/s1
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2.20E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand


J Med Chem 48: 4754-64 (2005)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50010618
PNG
((+)-3-(1-Propyl-piperidin-3-yl)-phenol | 3-((R)-1-...)
Show SMILES CCCN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m0/s1
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n/an/a 1.71E+3n/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 using [3H]spiperone as radioligand


J Med Chem 30: 2169-74 (1988)


BindingDB Entry DOI: 10.7270/Q2MW2HQJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50010618
PNG
((+)-3-(1-Propyl-piperidin-3-yl)-phenol | 3-((R)-1-...)
Show SMILES CCCN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m0/s1
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n/an/a 98n/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-N-0437 binding to Dopamine receptor D2 in rat striatal membranes


J Med Chem 33: 1015-22 (1990)


BindingDB Entry DOI: 10.7270/Q2PV6JBT
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50010618
PNG
((+)-3-(1-Propyl-piperidin-3-yl)-phenol | 3-((R)-1-...)
Show SMILES CCCN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



University of Illinois at Chicago 60607-7061

Curated by ChEMBL


Assay Description
Inhibition of [3H]NANM binding to sigma receptor obtained from tissue homogenate preparation of fresh whole rat brain minus cerebellum


J Med Chem 41: 468-77 (1998)


Article DOI: 10.1021/jm970059p
BindingDB Entry DOI: 10.7270/Q27W6CW7
More data for this
Ligand-Target Pair
Prolylcarboxypeptidase (PRCP)


(Homo sapiens (Human))
BDBM50010618
PNG
((+)-3-(1-Propyl-piperidin-3-yl)-phenol | 3-((R)-1-...)
Show SMILES CCCN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Illinois at Chicago 60607-7061

Curated by ChEMBL


Assay Description
Inhibition of binding to PCP receptor obtained from tissue homogenate preparation of fresh whole rat brain minus cerebellum


J Med Chem 41: 468-77 (1998)


Article DOI: 10.1021/jm970059p
BindingDB Entry DOI: 10.7270/Q27W6CW7
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50010618
PNG
((+)-3-(1-Propyl-piperidin-3-yl)-phenol | 3-((R)-1-...)
Show SMILES CCCN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m0/s1
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n/an/a 930n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]haloperidol (HPD) binding to dopamine (DA) receptor of rat striatal membranes


J Med Chem 31: 1621-5 (1988)


BindingDB Entry DOI: 10.7270/Q21G0PG9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50010618
PNG
((+)-3-(1-Propyl-piperidin-3-yl)-phenol | 3-((R)-1-...)
Show SMILES CCCN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro for binding affinity against sigma receptor using [3H](+)-3-PPP as radioligand


J Med Chem 30: 2169-74 (1988)


BindingDB Entry DOI: 10.7270/Q2MW2HQJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50010618
PNG
((+)-3-(1-Propyl-piperidin-3-yl)-phenol | 3-((R)-1-...)
Show SMILES CCCN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of spiperone from dopamine receptor D2 of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50010618
PNG
((+)-3-(1-Propyl-piperidin-3-yl)-phenol | 3-((R)-1-...)
Show SMILES CCCN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of (+)-3PPP from sigma receptor of rat brain membrane


J Med Chem 37: 1727-32 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25B0408
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50010618
PNG
((+)-3-(1-Propyl-piperidin-3-yl)-phenol | 3-((R)-1-...)
Show SMILES CCCN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m0/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-spiperone binding to Dopamine receptor D2 in rat striatal membranes


J Med Chem 33: 1015-22 (1990)


BindingDB Entry DOI: 10.7270/Q2PV6JBT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM50010618
PNG
((+)-3-(1-Propyl-piperidin-3-yl)-phenol | 3-((R)-1-...)
Show SMILES CCCN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m0/s1
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n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50010618
PNG
((+)-3-(1-Propyl-piperidin-3-yl)-phenol | 3-((R)-1-...)
Show SMILES CCCN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m0/s1
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n/an/an/an/a 9.25E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Assay Provider: Laura Bohn External Assay ID: OPRM1_AC...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2833QNG
More data for this
Ligand-Target Pair