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Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50037144   
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


(Homo sapiens (Human))
BDBM50128107
PNG
(1-[2-(4-Chloro-phenoxy)-1-methyl-ethyl]-4-methyl-p...)
Show SMILES C[C@@H](COc1ccc(Cl)cc1)N1CCC(C)CC1
Show InChI InChI=1S/C15H22ClNO/c1-12-7-9-17(10-8-12)13(2)11-18-15-5-3-14(16)4-6-15/h3-6,12-13H,7-11H2,1-2H3/t13-/m0/s1
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0.340n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to Sigma receptor type 1 in guinea pig brain membrane without cerebellum


J Med Chem 46: 2117-24 (2003)


Article DOI: 10.1021/jm021014d
BindingDB Entry DOI: 10.7270/Q2DF6RZR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50128111
PNG
(1-((2E,4E)-5-Benzo[1,3]dioxol-5-yl-penta-2,4-dieny...)
Show SMILES C(\C=C\C=C\c1ccc2OCOc2c1)N1CCCCC1
Show InChI InChI=1S/C17H21NO2/c1(4-10-18-11-5-2-6-12-18)3-7-15-8-9-16-17(13-15)20-14-19-16/h1,3-4,7-9,13H,2,5-6,10-12,14H2/b4-1+,7-3+
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0.860n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to Sigma receptor type 1 in guinea pig brain membrane without cerebellum


J Med Chem 46: 2117-24 (2003)


Article DOI: 10.1021/jm021014d
BindingDB Entry DOI: 10.7270/Q2DF6RZR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50128110
PNG
(1-[2-(4-Chloro-phenoxy)-ethyl]-4-methyl-piperidine...)
Show SMILES CC1CCN(CCOc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C14H20ClNO/c1-12-6-8-16(9-7-12)10-11-17-14-4-2-13(15)3-5-14/h2-5,12H,6-11H2,1H3
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0.860n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to Sigma receptor type 1 in guinea pig brain membrane without cerebellum


J Med Chem 46: 2117-24 (2003)


Article DOI: 10.1021/jm021014d
BindingDB Entry DOI: 10.7270/Q2DF6RZR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50128104
PNG
(1-[3-(4-Chloro-phenoxy)-2-methyl-propyl]-4-methyl-...)
Show SMILES C[C@H](COc1ccc(Cl)cc1)CN1CCC(C)CC1
Show InChI InChI=1S/C16H24ClNO/c1-13-7-9-18(10-8-13)11-14(2)12-19-16-5-3-15(17)4-6-16/h3-6,13-14H,7-12H2,1-2H3/t14-/m0/s1
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1.09n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to Sigma receptor type 1 in guinea pig brain membrane without cerebellum


J Med Chem 46: 2117-24 (2003)


Article DOI: 10.1021/jm021014d
BindingDB Entry DOI: 10.7270/Q2DF6RZR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50128108
PNG
(1-[2-(4-Chloro-phenoxy)-1-methyl-ethyl]-4-methyl-p...)
Show SMILES C[C@H](COc1ccc(Cl)cc1)N1CCC(C)CC1
Show InChI InChI=1S/C15H22ClNO/c1-12-7-9-17(10-8-12)13(2)11-18-15-5-3-14(16)4-6-15/h3-6,12-13H,7-11H2,1-2H3/t13-/m1/s1
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1.18n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to Sigma receptor type 1 in guinea pig brain membrane without cerebellum


J Med Chem 46: 2117-24 (2003)


Article DOI: 10.1021/jm021014d
BindingDB Entry DOI: 10.7270/Q2DF6RZR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50128113
PNG
(1-[3-(4-Chloro-phenoxy)-butyl]-4-methyl-piperidine...)
Show SMILES C[C@H](CCN1CCC(C)CC1)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C16H24ClNO/c1-13-7-10-18(11-8-13)12-9-14(2)19-16-5-3-15(17)4-6-16/h3-6,13-14H,7-12H2,1-2H3/t14-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to Sigma receptor type 1 in guinea pig brain membrane without cerebellum


J Med Chem 46: 2117-24 (2003)


Article DOI: 10.1021/jm021014d
BindingDB Entry DOI: 10.7270/Q2DF6RZR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50128101
PNG
(1-[3-(4-Chloro-phenoxy)-2-methyl-propyl]-4-methyl-...)
Show SMILES C[C@@H](COc1ccc(Cl)cc1)CN1CCC(C)CC1
Show InChI InChI=1S/C16H24ClNO/c1-13-7-9-18(10-8-13)11-14(2)12-19-16-5-3-15(17)4-6-16/h3-6,13-14H,7-12H2,1-2H3/t14-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to Sigma receptor type 1 in guinea pig brain membrane without cerebellum


J Med Chem 46: 2117-24 (2003)


Article DOI: 10.1021/jm021014d
BindingDB Entry DOI: 10.7270/Q2DF6RZR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50128112
PNG
(1-[3-(4-Chloro-phenoxy)-propyl]-4-methyl-piperidin...)
Show SMILES CC1CCN(CCCOc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C15H22ClNO/c1-13-7-10-17(11-8-13)9-2-12-18-15-5-3-14(16)4-6-15/h3-6,13H,2,7-12H2,1H3
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1.78n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to Sigma receptor type 1 in guinea pig brain membrane without cerebellum


J Med Chem 46: 2117-24 (2003)


Article DOI: 10.1021/jm021014d
BindingDB Entry DOI: 10.7270/Q2DF6RZR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50128105
PNG
(1-[2-(4-Chloro-phenoxy)-propyl]-4-methyl-piperidin...)
Show SMILES C[C@H](CN1CCC(C)CC1)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C15H22ClNO/c1-12-7-9-17(10-8-12)11-13(2)18-15-5-3-14(16)4-6-15/h3-6,12-13H,7-11H2,1-2H3/t13-/m1/s1
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1.81n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to Sigma receptor type 1 in guinea pig brain membrane without cerebellum


J Med Chem 46: 2117-24 (2003)


Article DOI: 10.1021/jm021014d
BindingDB Entry DOI: 10.7270/Q2DF6RZR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50128109
PNG
(1-[3-(4-Chloro-phenoxy)-butyl]-4-methyl-piperidine...)
Show SMILES C[C@@H](CCN1CCC(C)CC1)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C16H24ClNO/c1-13-7-10-18(11-8-13)12-9-14(2)19-16-5-3-15(17)4-6-16/h3-6,13-14H,7-12H2,1-2H3/t14-/m0/s1
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1.83n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to Sigma receptor type 1 in guinea pig brain membrane without cerebellum


J Med Chem 46: 2117-24 (2003)


Article DOI: 10.1021/jm021014d
BindingDB Entry DOI: 10.7270/Q2DF6RZR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50128103
PNG
(1-[3-(4-Chloro-phenoxy)-1-methyl-propyl]-4-methyl-...)
Show SMILES C[C@H](CCOc1ccc(Cl)cc1)N1CCC(C)CC1
Show InChI InChI=1S/C16H24ClNO/c1-13-7-10-18(11-8-13)14(2)9-12-19-16-5-3-15(17)4-6-16/h3-6,13-14H,7-12H2,1-2H3/t14-/m1/s1
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2.21n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to Sigma receptor type 1 in guinea pig brain membrane without cerebellum


J Med Chem 46: 2117-24 (2003)


Article DOI: 10.1021/jm021014d
BindingDB Entry DOI: 10.7270/Q2DF6RZR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50084012
PNG
((3,4-Dichloro-phenyl)-acetic acid 2-pyrrolidin-1-y...)
Show SMILES Clc1ccc(CC(=O)OCCN2CCCC2)cc1Cl
Show InChI InChI=1S/C14H17Cl2NO2/c15-12-4-3-11(9-13(12)16)10-14(18)19-8-7-17-5-1-2-6-17/h3-4,9H,1-2,5-8,10H2
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2.51n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to Sigma receptor type 1 in guinea pig brain membrane without cerebellum


J Med Chem 46: 2117-24 (2003)


Article DOI: 10.1021/jm021014d
BindingDB Entry DOI: 10.7270/Q2DF6RZR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50128106
PNG
(1-[3-(4-Chloro-phenoxy)-1-methyl-propyl]-4-methyl-...)
Show SMILES C[C@@H](CCOc1ccc(Cl)cc1)N1CCC(C)CC1
Show InChI InChI=1S/C16H24ClNO/c1-13-7-10-18(11-8-13)14(2)9-12-19-16-5-3-15(17)4-6-16/h3-6,13-14H,7-12H2,1-2H3/t14-/m0/s1
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2.69n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to Sigma receptor type 1 in guinea pig brain membrane without cerebellum


J Med Chem 46: 2117-24 (2003)


Article DOI: 10.1021/jm021014d
BindingDB Entry DOI: 10.7270/Q2DF6RZR
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)
BDBM50007674
PNG
((+)-erythro 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydro...)
Show SMILES C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21-/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]-emopamil binding to Sterol delta 8-delta 7 isomerase in guinea pig liver membrane


J Med Chem 46: 2117-24 (2003)


Article DOI: 10.1021/jm021014d
BindingDB Entry DOI: 10.7270/Q2DF6RZR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50035131
PNG
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)
Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1|
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to Sigma receptor type 1 in guinea pig brain membrane without cerebellum


J Med Chem 46: 2117-24 (2003)


Article DOI: 10.1021/jm021014d
BindingDB Entry DOI: 10.7270/Q2DF6RZR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)
BDBM50128105
PNG
(1-[2-(4-Chloro-phenoxy)-propyl]-4-methyl-piperidin...)
Show SMILES C[C@H](CN1CCC(C)CC1)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C15H22ClNO/c1-12-7-9-17(10-8-12)11-13(2)18-15-5-3-14(16)4-6-15/h3-6,12-13H,7-11H2,1-2H3/t13-/m1/s1
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3.38n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]-emopamil binding to Sterol delta 8-delta 7 isomerase in guinea pig liver membrane


J Med Chem 46: 2117-24 (2003)


Article DOI: 10.1021/jm021014d
BindingDB Entry DOI: 10.7270/Q2DF6RZR
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)
BDBM50128110
PNG
(1-[2-(4-Chloro-phenoxy)-ethyl]-4-methyl-piperidine...)
Show SMILES CC1CCN(CCOc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C14H20ClNO/c1-12-6-8-16(9-7-12)10-11-17-14-4-2-13(15)3-5-14/h2-5,12H,6-11H2,1H3
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3.70n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]-emopamil binding to Sterol delta 8-delta 7 isomerase in guinea pig liver membrane


J Med Chem 46: 2117-24 (2003)


Article DOI: 10.1021/jm021014d
BindingDB Entry DOI: 10.7270/Q2DF6RZR
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)
BDBM50128107
PNG
(1-[2-(4-Chloro-phenoxy)-1-methyl-ethyl]-4-methyl-p...)
Show SMILES C[C@@H](COc1ccc(Cl)cc1)N1CCC(C)CC1
Show InChI InChI=1S/C15H22ClNO/c1-12-7-9-17(10-8-12)13(2)11-18-15-5-3-14(16)4-6-15/h3-6,12-13H,7-11H2,1-2H3/t13-/m0/s1
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3.73n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]-emopamil binding to Sterol delta 8-delta 7 isomerase in guinea pig liver membrane


J Med Chem 46: 2117-24 (2003)


Article DOI: 10.1021/jm021014d
BindingDB Entry DOI: 10.7270/Q2DF6RZR
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)
BDBM50128103
PNG
(1-[3-(4-Chloro-phenoxy)-1-methyl-propyl]-4-methyl-...)
Show SMILES C[C@H](CCOc1ccc(Cl)cc1)N1CCC(C)CC1
Show InChI InChI=1S/C16H24ClNO/c1-13-7-10-18(11-8-13)14(2)9-12-19-16-5-3-15(17)4-6-16/h3-6,13-14H,7-12H2,1-2H3/t14-/m1/s1
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7.79n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]-emopamil binding to Sterol delta 8-delta 7 isomerase in guinea pig liver membrane


J Med Chem 46: 2117-24 (2003)


Article DOI: 10.1021/jm021014d
BindingDB Entry DOI: 10.7270/Q2DF6RZR
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)
BDBM50128112
PNG
(1-[3-(4-Chloro-phenoxy)-propyl]-4-methyl-piperidin...)
Show SMILES CC1CCN(CCCOc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C15H22ClNO/c1-13-7-10-17(11-8-13)9-2-12-18-15-5-3-14(16)4-6-15/h3-6,13H,2,7-12H2,1H3
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9.65n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]-emopamil binding to Sterol delta 8-delta 7 isomerase in guinea pig liver membrane


J Med Chem 46: 2117-24 (2003)


Article DOI: 10.1021/jm021014d
BindingDB Entry DOI: 10.7270/Q2DF6RZR
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)
BDBM50128109
PNG
(1-[3-(4-Chloro-phenoxy)-butyl]-4-methyl-piperidine...)
Show SMILES C[C@@H](CCN1CCC(C)CC1)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C16H24ClNO/c1-13-7-10-18(11-8-13)12-9-14(2)19-16-5-3-15(17)4-6-16/h3-6,13-14H,7-12H2,1-2H3/t14-/m0/s1
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12n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]-emopamil binding to Sterol delta 8-delta 7 isomerase in guinea pig liver membrane


J Med Chem 46: 2117-24 (2003)


Article DOI: 10.1021/jm021014d
BindingDB Entry DOI: 10.7270/Q2DF6RZR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50128102
PNG
(1-[2-(4-Chloro-phenoxy)-propyl]-4-methyl-piperidin...)
Show SMILES C[C@@H](CN1CCC(C)CC1)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C15H22ClNO/c1-12-7-9-17(10-8-12)11-13(2)18-15-5-3-14(16)4-6-15/h3-6,12-13H,7-11H2,1-2H3/t13-/m0/s1
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antibodypedia
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12.6n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to Sigma receptor type 1 in guinea pig brain membrane without cerebellum


J Med Chem 46: 2117-24 (2003)


Article DOI: 10.1021/jm021014d
BindingDB Entry DOI: 10.7270/Q2DF6RZR
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)
BDBM50128104
PNG
(1-[3-(4-Chloro-phenoxy)-2-methyl-propyl]-4-methyl-...)
Show SMILES C[C@H](COc1ccc(Cl)cc1)CN1CCC(C)CC1
Show InChI InChI=1S/C16H24ClNO/c1-13-7-9-18(10-8-13)11-14(2)12-19-16-5-3-15(17)4-6-16/h3-6,13-14H,7-12H2,1-2H3/t14-/m0/s1
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14.5n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]-emopamil binding to Sterol delta 8-delta 7 isomerase in guinea pig liver membrane


J Med Chem 46: 2117-24 (2003)


Article DOI: 10.1021/jm021014d
BindingDB Entry DOI: 10.7270/Q2DF6RZR
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)
BDBM50128101
PNG
(1-[3-(4-Chloro-phenoxy)-2-methyl-propyl]-4-methyl-...)
Show SMILES C[C@@H](COc1ccc(Cl)cc1)CN1CCC(C)CC1
Show InChI InChI=1S/C16H24ClNO/c1-13-7-9-18(10-8-13)11-14(2)12-19-16-5-3-15(17)4-6-16/h3-6,13-14H,7-12H2,1-2H3/t14-/m1/s1
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18.7n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]-emopamil binding to Sterol delta 8-delta 7 isomerase in guinea pig liver membrane


J Med Chem 46: 2117-24 (2003)


Article DOI: 10.1021/jm021014d
BindingDB Entry DOI: 10.7270/Q2DF6RZR
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)
BDBM50128108
PNG
(1-[2-(4-Chloro-phenoxy)-1-methyl-ethyl]-4-methyl-p...)
Show SMILES C[C@H](COc1ccc(Cl)cc1)N1CCC(C)CC1
Show InChI InChI=1S/C15H22ClNO/c1-12-7-9-17(10-8-12)13(2)11-18-15-5-3-14(16)4-6-15/h3-6,12-13H,7-11H2,1-2H3/t13-/m1/s1
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27.5n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]-emopamil binding to Sterol delta 8-delta 7 isomerase in guinea pig liver membrane


J Med Chem 46: 2117-24 (2003)


Article DOI: 10.1021/jm021014d
BindingDB Entry DOI: 10.7270/Q2DF6RZR
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)
BDBM50128113
PNG
(1-[3-(4-Chloro-phenoxy)-butyl]-4-methyl-piperidine...)
Show SMILES C[C@H](CCN1CCC(C)CC1)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C16H24ClNO/c1-13-7-10-18(11-8-13)12-9-14(2)19-16-5-3-15(17)4-6-16/h3-6,13-14H,7-12H2,1-2H3/t14-/m1/s1
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30.1n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]-emopamil binding to Sterol delta 8-delta 7 isomerase in guinea pig liver membrane


J Med Chem 46: 2117-24 (2003)


Article DOI: 10.1021/jm021014d
BindingDB Entry DOI: 10.7270/Q2DF6RZR
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)
BDBM50128102
PNG
(1-[2-(4-Chloro-phenoxy)-propyl]-4-methyl-piperidin...)
Show SMILES C[C@@H](CN1CCC(C)CC1)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C15H22ClNO/c1-12-7-9-17(10-8-12)11-13(2)18-15-5-3-14(16)4-6-15/h3-6,12-13H,7-11H2,1-2H3/t13-/m0/s1
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35.1n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]-emopamil binding to Sterol delta 8-delta 7 isomerase in guinea pig liver membrane


J Med Chem 46: 2117-24 (2003)


Article DOI: 10.1021/jm021014d
BindingDB Entry DOI: 10.7270/Q2DF6RZR
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)
BDBM50128106
PNG
(1-[3-(4-Chloro-phenoxy)-1-methyl-propyl]-4-methyl-...)
Show SMILES C[C@@H](CCOc1ccc(Cl)cc1)N1CCC(C)CC1
Show InChI InChI=1S/C16H24ClNO/c1-13-7-10-18(11-8-13)14(2)9-12-19-16-5-3-15(17)4-6-16/h3-6,13-14H,7-12H2,1-2H3/t14-/m0/s1
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37n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]-emopamil binding to Sterol delta 8-delta 7 isomerase in guinea pig liver membrane


J Med Chem 46: 2117-24 (2003)


Article DOI: 10.1021/jm021014d
BindingDB Entry DOI: 10.7270/Q2DF6RZR
More data for this
Ligand-Target Pair