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Compile Data Set for Download or QSAR

Found 9 hits of ph data with Target = 'Sigma-1 receptor'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM82351
PNG
(1-{[4-(substitutedphenyl/phenylethyl)piperazin1-yl...)
Show SMILES Cc1cn(CN2CCN(CCc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C22H27N3/c1-19-17-25(22-10-6-5-9-21(19)22)18-24-15-13-23(14-16-24)12-11-20-7-3-2-4-8-20/h2-10,17H,11-16,18H2,1H3
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UniChem
Article
PubMed
14.2 -46.6n/an/an/an/an/a7.437



Yeditepe University



Assay Description
The test was performed with the radioligand [3H]-(+)-pentazocine (42.5 Ci/mmol) from Perkin Elmer.


Chem Biol Drug Des 78: 869-75 (2011)


Article DOI: 10.1111/j.1747-0285.2011.01215.x
BindingDB Entry DOI: 10.7270/Q2513WQT
More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM82348
PNG
(3-{[4-(substitutedphenyl/benzyl)piperazin1-yl]meth...)
Show SMILES Clc1ccc(CN2CCN(Cc3c[nH]c4ccccc34)CC2)cc1Cl
Show InChI InChI=1S/C20H21Cl2N3/c21-18-6-5-15(11-19(18)22)13-24-7-9-25(10-8-24)14-16-12-23-20-4-2-1-3-17(16)20/h1-6,11-12,23H,7-10,13-14H2
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UniChem
Article
PubMed
126 -41.0n/an/an/an/an/a7.437



Yeditepe University



Assay Description
The test was performed with the radioligand [3H]-(+)-pentazocine (42.5 Ci/mmol) from Perkin Elmer.


Chem Biol Drug Des 78: 869-75 (2011)


Article DOI: 10.1111/j.1747-0285.2011.01215.x
BindingDB Entry DOI: 10.7270/Q2513WQT
More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM82347
PNG
(3-{[4-(substitutedphenyl/benzyl)piperazin1-yl]meth...)
Show SMILES Fc1ccc(F)c(CN2CCN(Cc3c[nH]c4ccccc34)CC2)c1
Show InChI InChI=1S/C20H21F2N3/c21-17-5-6-19(22)15(11-17)13-24-7-9-25(10-8-24)14-16-12-23-20-4-2-1-3-18(16)20/h1-6,11-12,23H,7-10,13-14H2
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UniChem
Article
PubMed
216 -39.6n/an/an/an/an/a7.437



Yeditepe University



Assay Description
The test was performed with the radioligand [3H]-(+)-pentazocine (42.5 Ci/mmol) from Perkin Elmer.


Chem Biol Drug Des 78: 869-75 (2011)


Article DOI: 10.1111/j.1747-0285.2011.01215.x
BindingDB Entry DOI: 10.7270/Q2513WQT
More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM82353
PNG
(1-{3-[4-(substitutedphenyl)piperazin1-yl]propyl}-1...)
Show SMILES Fc1ccccc1N1CCN(CCCn2ccc3ccccc23)CC1
Show InChI InChI=1S/C21H24FN3/c22-19-7-2-4-9-21(19)25-16-14-23(15-17-25)11-5-12-24-13-10-18-6-1-3-8-20(18)24/h1-4,6-10,13H,5,11-12,14-17H2
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Article
PubMed
264 -39.1n/an/an/an/an/a7.437



Yeditepe University



Assay Description
The test was performed with the radioligand [3H]-(+)-pentazocine (42.5 Ci/mmol) from Perkin Elmer.


Chem Biol Drug Des 78: 869-75 (2011)


Article DOI: 10.1111/j.1747-0285.2011.01215.x
BindingDB Entry DOI: 10.7270/Q2513WQT
More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM82352
PNG
(1-{3-[4-(substitutedphenyl)piperazin1-yl]propyl}-1...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCn2ccc3ccccc23)CC1
Show InChI InChI=1S/C21H24FN3/c22-19-6-8-20(9-7-19)24-16-14-23(15-17-24)11-3-12-25-13-10-18-4-1-2-5-21(18)25/h1-2,4-10,13H,3,11-12,14-17H2
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Article
PubMed
456 -37.6n/an/an/an/an/a7.437



Yeditepe University



Assay Description
The test was performed with the radioligand [3H]-(+)-pentazocine (42.5 Ci/mmol) from Perkin Elmer.


Chem Biol Drug Des 78: 869-75 (2011)


Article DOI: 10.1111/j.1747-0285.2011.01215.x
BindingDB Entry DOI: 10.7270/Q2513WQT
More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM82350
PNG
(1-{[4-(substitutedphenyl/phenylethyl)piperazin1-yl...)
Show SMILES Cc1cn(CN2CCN(CC2)c2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C20H22FN3/c1-16-14-24(20-5-3-2-4-19(16)20)15-22-10-12-23(13-11-22)18-8-6-17(21)7-9-18/h2-9,14H,10-13,15H2,1H3
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Article
PubMed
1.00E+3 -35.6n/an/an/an/an/a7.437



Yeditepe University



Assay Description
The test was performed with the radioligand [3H]-(+)-pentazocine (42.5 Ci/mmol) from Perkin Elmer.


Chem Biol Drug Des 78: 869-75 (2011)


Article DOI: 10.1111/j.1747-0285.2011.01215.x
BindingDB Entry DOI: 10.7270/Q2513WQT
More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM82354
PNG
(1-{3-[4-(substitutedphenyl)piperazin1-yl]propyl}-1...)
Show SMILES C(CN1CCN(CC1)c1ccccc1)Cn1ccc2ccccc12
Show InChI InChI=1S/C21H25N3/c1-2-8-20(9-3-1)23-17-15-22(16-18-23)12-6-13-24-14-11-19-7-4-5-10-21(19)24/h1-5,7-11,14H,6,12-13,15-18H2
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Article
PubMed
1.49E+3 -34.6n/an/an/an/an/a7.437



Yeditepe University



Assay Description
The test was performed with the radioligand [3H]-(+)-pentazocine (42.5 Ci/mmol) from Perkin Elmer.


Chem Biol Drug Des 78: 869-75 (2011)


Article DOI: 10.1111/j.1747-0285.2011.01215.x
BindingDB Entry DOI: 10.7270/Q2513WQT
More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM82349
PNG
(1,3-di-{[4-(4-fluorophenyl)piperazin1-yl]methyl}-1...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2cn(CN3CCN(CC3)c3ccc(F)cc3)c3ccccc23)CC1
Show InChI InChI=1S/C30H33F2N5/c31-25-5-9-27(10-6-25)35-17-13-33(14-18-35)21-24-22-37(30-4-2-1-3-29(24)30)23-34-15-19-36(20-16-34)28-11-7-26(32)8-12-28/h1-12,22H,13-21,23H2
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Article
PubMed
2.69E+3 -33.1n/an/an/an/an/a7.437



Yeditepe University



Assay Description
The test was performed with the radioligand [3H]-(+)-pentazocine (42.5 Ci/mmol) from Perkin Elmer.


Chem Biol Drug Des 78: 869-75 (2011)


Article DOI: 10.1111/j.1747-0285.2011.01215.x
BindingDB Entry DOI: 10.7270/Q2513WQT
More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM65863
PNG
(3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-1H-in...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C19H20FN3/c20-16-5-7-17(8-6-16)23-11-9-22(10-12-23)14-15-13-21-19-4-2-1-3-18(15)19/h1-8,13,21H,9-12,14H2
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UniChem

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Article
PubMed
3.64E+3 -32.3n/an/an/an/an/a7.437



Yeditepe University



Assay Description
The test was performed with the radioligand [3H]-(+)-pentazocine (42.5 Ci/mmol) from Perkin Elmer.


Chem Biol Drug Des 78: 869-75 (2011)


Article DOI: 10.1111/j.1747-0285.2011.01215.x
BindingDB Entry DOI: 10.7270/Q2513WQT
More data for this
Ligand-Target Pair