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PubMed code 11052796

Compile data set for download or QSAR
Found 16 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)
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/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/h3-10,26H,1-2,11-15H2
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PubMed
2.95n/an/an/an/an/an/an/an/a



University of Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity was measured on Sigma receptor type 1 with guinea pig membranes and [3H]- pentazocine as ligand.


J Med Chem 43: 3913-22 (2000)


BindingDB Entry DOI: 10.7270/Q2G44PJ9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/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/h3-10,26H,1-2,11-15H2
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46.5n/an/an/an/an/an/an/an/a



University of Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity was measured on Sigma receptor type 2 with rat liver membranes and [3H]- DTG as ligand.


J Med Chem 43: 3913-22 (2000)


BindingDB Entry DOI: 10.7270/Q2G44PJ9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50092739
PNG
(CHEMBL126131 | N-(2-Diethylamino-ethyl)-5-iodo-2-m...)
Show SMILES CCN(CC)CCNC(=O)c1cc(I)ccc1OC
Show InChI InChI=1S/C14H21IN2O2/c1-4-17(5-2)9-8-16-14(18)12-10-11(15)6-7-13(12)19-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)
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92n/an/an/an/an/an/an/an/a



University of Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity was measured on Sigma receptor type 1 with guinea pig membranes and [3H]- pentazocine as ligand.


J Med Chem 43: 3913-22 (2000)


BindingDB Entry DOI: 10.7270/Q2G44PJ9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50092741
PNG
(CHEMBL338468 | N-(2-Diethylamino-ethyl)-3-iodo-4-m...)
Show SMILES CCN(CC)CCNC(=O)c1ccc(OC)c(I)c1
Show InChI InChI=1S/C14H21IN2O2/c1-4-17(5-2)9-8-16-14(18)11-6-7-13(19-3)12(15)10-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)
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249n/an/an/an/an/an/an/an/a



University of Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity was measured on Sigma receptor type 1 with guinea pig membranes and [3H]- pentazocine as ligand.


J Med Chem 43: 3913-22 (2000)


BindingDB Entry DOI: 10.7270/Q2G44PJ9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50092738
PNG
(4-Amino-5-bromo-N-(2-diethylamino-ethyl)-3-iodo-2-...)
Show SMILES CCN(CC)CCNC(=O)c1cc(Br)c(N)c(I)c1OC
Show InChI InChI=1S/C14H21BrIN3O2/c1-4-19(5-2)7-6-18-14(20)9-8-10(15)12(17)11(16)13(9)21-3/h8H,4-7,17H2,1-3H3,(H,18,20)
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278n/an/an/an/an/an/an/an/a



University of Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity was measured on Sigma receptor type 1 with guinea pig membranes and [3H]- pentazocine as ligand.


J Med Chem 43: 3913-22 (2000)


BindingDB Entry DOI: 10.7270/Q2G44PJ9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50092737
PNG
(CHEMBL339009 | N-(2-Diethylamino-ethyl)-2-iodo-5-m...)
Show SMILES CCN(CC)CCNC(=O)c1cc(OC)ccc1I
Show InChI InChI=1S/C14H21IN2O2/c1-4-17(5-2)9-8-16-14(18)12-10-11(19-3)6-7-13(12)15/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)
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347n/an/an/an/an/an/an/an/a



University of Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity was measured on Sigma receptor type 2 with rat liver membranes and [3H]- DTG as ligand.


J Med Chem 43: 3913-22 (2000)


BindingDB Entry DOI: 10.7270/Q2G44PJ9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50092737
PNG
(CHEMBL339009 | N-(2-Diethylamino-ethyl)-2-iodo-5-m...)
Show SMILES CCN(CC)CCNC(=O)c1cc(OC)ccc1I
Show InChI InChI=1S/C14H21IN2O2/c1-4-17(5-2)9-8-16-14(18)12-10-11(19-3)6-7-13(12)15/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)
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455n/an/an/an/an/an/an/an/a



University of Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity was measured on Sigma receptor type 1 with guinea pig membranes and [3H]- pentazocine as ligand.


J Med Chem 43: 3913-22 (2000)


BindingDB Entry DOI: 10.7270/Q2G44PJ9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50092736
PNG
(4-Amino-N-(2-diethylamino-ethyl)-5-iodo-2-methoxy-...)
Show SMILES CCN(CC)CCNC(=O)c1cc(I)c(N)cc1OC
Show InChI InChI=1S/C14H22IN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
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484n/an/an/an/an/an/an/an/a



University of Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity was measured on Sigma receptor type 1 with guinea pig membranes and [3H]- pentazocine as ligand.


J Med Chem 43: 3913-22 (2000)


BindingDB Entry DOI: 10.7270/Q2G44PJ9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50092739
PNG
(CHEMBL126131 | N-(2-Diethylamino-ethyl)-5-iodo-2-m...)
Show SMILES CCN(CC)CCNC(=O)c1cc(I)ccc1OC
Show InChI InChI=1S/C14H21IN2O2/c1-4-17(5-2)9-8-16-14(18)12-10-11(15)6-7-13(12)19-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)
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1.02E+3n/an/an/an/an/an/an/an/a



University of Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity was measured on Sigma receptor type 2 with rat liver membranes and [3H]- DTG as ligand.


J Med Chem 43: 3913-22 (2000)


BindingDB Entry DOI: 10.7270/Q2G44PJ9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50092738
PNG
(4-Amino-5-bromo-N-(2-diethylamino-ethyl)-3-iodo-2-...)
Show SMILES CCN(CC)CCNC(=O)c1cc(Br)c(N)c(I)c1OC
Show InChI InChI=1S/C14H21BrIN3O2/c1-4-19(5-2)7-6-18-14(20)9-8-10(15)12(17)11(16)13(9)21-3/h8H,4-7,17H2,1-3H3,(H,18,20)
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2.35E+3n/an/an/an/an/an/an/an/a



University of Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity was measured on Sigma receptor type 2 with rat liver membranes and [3H]- DTG as ligand.


J Med Chem 43: 3913-22 (2000)


BindingDB Entry DOI: 10.7270/Q2G44PJ9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50092742
PNG
(4-Acetylamino-N-(2-diethylamino-ethyl)-3-iodo-benz...)
Show SMILES CCN(CC)CCNC(=O)c1ccc(NC(C)=O)c(I)c1
Show InChI InChI=1S/C15H22IN3O2/c1-4-19(5-2)9-8-17-15(21)12-6-7-14(13(16)10-12)18-11(3)20/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,21)(H,18,20)
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4.65E+3n/an/an/an/an/an/an/an/a



University of Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity was measured on Sigma receptor type 1 with guinea pig membranes and [3H]- pentazocine as ligand.


J Med Chem 43: 3913-22 (2000)


BindingDB Entry DOI: 10.7270/Q2G44PJ9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50092740
PNG
(4-Acetylamino-N-(2-diethylamino-ethyl)-5-iodo-2-me...)
Show SMILES CCN(CC)CCNC(=O)c1cc(I)c(NC(C)=O)cc1OC
Show InChI InChI=1S/C16H24IN3O3/c1-5-20(6-2)8-7-18-16(22)12-9-13(17)14(19-11(3)21)10-15(12)23-4/h9-10H,5-8H2,1-4H3,(H,18,22)(H,19,21)
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5.19E+3n/an/an/an/an/an/an/an/a



University of Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity was measured on Sigma receptor type 1 with guinea pig membranes and [3H]- pentazocine as ligand.


J Med Chem 43: 3913-22 (2000)


BindingDB Entry DOI: 10.7270/Q2G44PJ9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50092741
PNG
(CHEMBL338468 | N-(2-Diethylamino-ethyl)-3-iodo-4-m...)
Show SMILES CCN(CC)CCNC(=O)c1ccc(OC)c(I)c1
Show InChI InChI=1S/C14H21IN2O2/c1-4-17(5-2)9-8-16-14(18)11-6-7-13(19-3)12(15)10-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)
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6.52E+3n/an/an/an/an/an/an/an/a



University of Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity was measured on Sigma receptor type 2 with rat liver membranes and [3H]- DTG as ligand.


J Med Chem 43: 3913-22 (2000)


BindingDB Entry DOI: 10.7270/Q2G44PJ9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50092736
PNG
(4-Amino-N-(2-diethylamino-ethyl)-5-iodo-2-methoxy-...)
Show SMILES CCN(CC)CCNC(=O)c1cc(I)c(N)cc1OC
Show InChI InChI=1S/C14H22IN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
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2.14E+4n/an/an/an/an/an/an/an/a



University of Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity was measured on Sigma receptor type 2 with rat liver membranes and [3H]- DTG as ligand.


J Med Chem 43: 3913-22 (2000)


BindingDB Entry DOI: 10.7270/Q2G44PJ9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50092740
PNG
(4-Acetylamino-N-(2-diethylamino-ethyl)-5-iodo-2-me...)
Show SMILES CCN(CC)CCNC(=O)c1cc(I)c(NC(C)=O)cc1OC
Show InChI InChI=1S/C16H24IN3O3/c1-5-20(6-2)8-7-18-16(22)12-9-13(17)14(19-11(3)21)10-15(12)23-4/h9-10H,5-8H2,1-4H3,(H,18,22)(H,19,21)
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1.15E+5n/an/an/an/an/an/an/an/a



University of Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity was measured on Sigma receptor type 2 with rat liver membranes and [3H]- DTG as ligand.


J Med Chem 43: 3913-22 (2000)


BindingDB Entry DOI: 10.7270/Q2G44PJ9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50092742
PNG
(4-Acetylamino-N-(2-diethylamino-ethyl)-3-iodo-benz...)
Show SMILES CCN(CC)CCNC(=O)c1ccc(NC(C)=O)c(I)c1
Show InChI InChI=1S/C15H22IN3O2/c1-4-19(5-2)9-8-17-15(21)12-6-7-14(13(16)10-12)18-11(3)20/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,21)(H,18,20)
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1.48E+5n/an/an/an/an/an/an/an/a



University of Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity was measured on Sigma receptor type 2 with rat liver membranes and [3H]- DTG as ligand.


J Med Chem 43: 3913-22 (2000)


BindingDB Entry DOI: 10.7270/Q2G44PJ9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%