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PubMed code 22055714

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
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 non-opioid intracellular receptor 1


(RAT)
BDBM50359595
PNG
(CHEMBL1927702)
Show SMILES [O-][N+](=O)c1ccc2CCN(CCCCN3C(=O)c4ccccc4C3=O)Cc2c1
Show InChI InChI=1S/C21H21N3O4/c25-20-18-5-1-2-6-19(18)21(26)23(20)11-4-3-10-22-12-9-15-7-8-17(24(27)28)13-16(15)14-22/h1-2,5-8,13H,3-4,9-12,14H2
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Article
PubMed
87.5n/an/an/an/an/an/an/an/a



University of Wisconsin School of Medicine and Public Health

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from sigma 1 receptor in rat liver membrane after 1.5 hrs by scintillation counting


Bioorg Med Chem 19: 7435-40 (2011)


Article DOI: 10.1016/j.bmc.2011.10.046
BindingDB Entry DOI: 10.7270/Q22F7NWW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50359588
PNG
(CHEMBL1927695)
Show SMILES COc1cccc(C(=O)NCCCCN2CCc3ccc(cc3C2)[N+]([O-])=O)c1OC
Show InChI InChI=1S/C22H27N3O5/c1-29-20-7-5-6-19(21(20)30-2)22(26)23-11-3-4-12-24-13-10-16-8-9-18(25(27)28)14-17(16)15-24/h5-9,14H,3-4,10-13,15H2,1-2H3,(H,23,26)
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Article
PubMed
7.87E+3n/an/an/an/an/an/an/an/a



University of Wisconsin School of Medicine and Public Health

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from sigma 1 receptor in rat liver membrane after 1.5 hrs by scintillation counting


Bioorg Med Chem 19: 7435-40 (2011)


Article DOI: 10.1016/j.bmc.2011.10.046
BindingDB Entry DOI: 10.7270/Q22F7NWW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50359587
PNG
(CHEMBL1927694)
Show SMILES COc1ccc(C(=O)NCCCCN2CCc3ccc(cc3C2)[N+]([O-])=O)c(OC)c1OC
Show InChI InChI=1S/C23H29N3O6/c1-30-20-9-8-19(21(31-2)22(20)32-3)23(27)24-11-4-5-12-25-13-10-16-6-7-18(26(28)29)14-17(16)15-25/h6-9,14H,4-5,10-13,15H2,1-3H3,(H,24,27)
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PubMed
1.03E+4n/an/an/an/an/an/an/an/a



University of Wisconsin School of Medicine and Public Health

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from sigma 1 receptor in rat liver membrane after 1.5 hrs by scintillation counting


Bioorg Med Chem 19: 7435-40 (2011)


Article DOI: 10.1016/j.bmc.2011.10.046
BindingDB Entry DOI: 10.7270/Q22F7NWW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50359590
PNG
(CHEMBL1927697)
Show SMILES COc1cccc(C(=O)NCCCCN2CCc3ccc(cc3C2)[N+]([O-])=O)c1O
Show InChI InChI=1S/C21H25N3O5/c1-29-19-6-4-5-18(20(19)25)21(26)22-10-2-3-11-23-12-9-15-7-8-17(24(27)28)13-16(15)14-23/h4-8,13,25H,2-3,9-12,14H2,1H3,(H,22,26)
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PubMed
1.12E+4n/an/an/an/an/an/an/an/a



University of Wisconsin School of Medicine and Public Health

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from sigma 1 receptor in rat liver membrane after 1.5 hrs by scintillation counting


Bioorg Med Chem 19: 7435-40 (2011)


Article DOI: 10.1016/j.bmc.2011.10.046
BindingDB Entry DOI: 10.7270/Q22F7NWW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50359593
PNG
(CHEMBL1927700)
Show SMILES COc1cc2CCN(CCCCNC(=O)c3ccc(cc3)[N+]([O-])=O)Cc2cc1OC
Show InChI InChI=1S/C22H27N3O5/c1-29-20-13-17-9-12-24(15-18(17)14-21(20)30-2)11-4-3-10-23-22(26)16-5-7-19(8-6-16)25(27)28/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H,23,26)
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PubMed
1.47E+4n/an/an/an/an/an/an/an/a



University of Wisconsin School of Medicine and Public Health

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from sigma 1 receptor in rat liver membrane after 1.5 hrs by scintillation counting


Bioorg Med Chem 19: 7435-40 (2011)


Article DOI: 10.1016/j.bmc.2011.10.046
BindingDB Entry DOI: 10.7270/Q22F7NWW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50359591
PNG
(CHEMBL1927698)
Show SMILES COc1cccc(C(=O)NCCCCN2CCc3cc(OC)c(OC)cc3C2)c1O
Show InChI InChI=1S/C23H30N2O5/c1-28-19-8-6-7-18(22(19)26)23(27)24-10-4-5-11-25-12-9-16-13-20(29-2)21(30-3)14-17(16)15-25/h6-8,13-14,26H,4-5,9-12,15H2,1-3H3,(H,24,27)
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Article
PubMed
6.78E+4n/an/an/an/an/an/an/an/a



University of Wisconsin School of Medicine and Public Health

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from sigma 1 receptor in rat liver membrane after 1.5 hrs by scintillation counting


Bioorg Med Chem 19: 7435-40 (2011)


Article DOI: 10.1016/j.bmc.2011.10.046
BindingDB Entry DOI: 10.7270/Q22F7NWW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50359589
PNG
(CHEMBL1927696)
Show SMILES COc1c(O)c(ccc1I)C(=O)NCCCCN1CCc2ccc(cc2C1)[N+]([O-])=O
Show InChI InChI=1S/C21H24IN3O5/c1-30-20-18(22)7-6-17(19(20)26)21(27)23-9-2-3-10-24-11-8-14-4-5-16(25(28)29)12-15(14)13-24/h4-7,12,26H,2-3,8-11,13H2,1H3,(H,23,27)
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PubMed
7.47E+4n/an/an/an/an/an/an/an/a



University of Wisconsin School of Medicine and Public Health

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from sigma 1 receptor in rat liver membrane after 1.5 hrs by scintillation counting


Bioorg Med Chem 19: 7435-40 (2011)


Article DOI: 10.1016/j.bmc.2011.10.046
BindingDB Entry DOI: 10.7270/Q22F7NWW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50359594
PNG
(CHEMBL1927701)
Show SMILES COc1cc2CCN(CCCCNC(=O)c3cccc(c3)[N+]([O-])=O)Cc2cc1OC
Show InChI InChI=1S/C22H27N3O5/c1-29-20-13-16-8-11-24(15-18(16)14-21(20)30-2)10-4-3-9-23-22(26)17-6-5-7-19(12-17)25(27)28/h5-7,12-14H,3-4,8-11,15H2,1-2H3,(H,23,26)
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PubMed
1.21E+6n/an/an/an/an/an/an/an/a



University of Wisconsin School of Medicine and Public Health

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from sigma 1 receptor in rat liver membrane after 1.5 hrs by scintillation counting


Bioorg Med Chem 19: 7435-40 (2011)


Article DOI: 10.1016/j.bmc.2011.10.046
BindingDB Entry DOI: 10.7270/Q22F7NWW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50359592
PNG
(CHEMBL1927699)
Show SMILES COc1cc2CCN(CCCCNC(=O)c3ccccc3)Cc2cc1OC
Show InChI InChI=1S/C22H28N2O3/c1-26-20-14-18-10-13-24(16-19(18)15-21(20)27-2)12-7-6-11-23-22(25)17-8-4-3-5-9-17/h3-5,8-9,14-15H,6-7,10-13,16H2,1-2H3,(H,23,25)
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Article
PubMed
>1.00E+7n/an/an/an/an/an/an/an/a



University of Wisconsin School of Medicine and Public Health

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from sigma 1 receptor in rat liver membrane after 1.5 hrs by scintillation counting


Bioorg Med Chem 19: 7435-40 (2011)


Article DOI: 10.1016/j.bmc.2011.10.046
BindingDB Entry DOI: 10.7270/Q22F7NWW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%