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PubMed code 16366605

Compile data set for download or QSAR
Found 62 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


(Cavia porcellus (Guinea pig))		BDBM50179280
PNG
(1-(4-(6-methoxynaphthalen-1-yl)butyl)-4-methylpipe...)
Show SMILES COc1ccc2c(CCCCN3CCC(C)CC3)cccc2c1
Show InChI InChI=1S/C21H29NO/c1-17-11-14-22(15-12-17)13-4-3-6-18-7-5-8-19-16-20(23-2)9-10-21(18)19/h5,7-10,16-17H,3-4,6,11-15H2,1-2H3
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 0.0300n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179257
PNG
((-)-(R)-1-(4-(6-methoxynaphthalen-1-yl)butyl)-3-me...)
Show SMILES COc1ccc2c(CCCCN3CCC[C@@H](C)C3)cccc2c1
Show InChI InChI=1S/C21H29NO/c1-17-7-6-14-22(16-17)13-4-3-8-18-9-5-10-19-15-20(23-2)11-12-21(18)19/h5,9-12,15,17H,3-4,6-8,13-14,16H2,1-2H3/t17-/m1/s1
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 0.240n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179262
PNG
(1-(4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1ccc2C(CCCCN3CCC(C)(C)CC3)CCCc2c1
Show InChI InChI=1S/C22H35NO/c1-22(2)12-15-23(16-13-22)14-5-4-7-18-8-6-9-19-17-20(24-3)10-11-21(18)19/h10-11,17-18H,4-9,12-16H2,1-3H3
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 0.300n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179260
PNG
(1-(3-(6-methoxynaphthalen-1-yl)propyl)-3,3-dimethy...)
Show SMILES COc1ccc2c(CCCN3CCCC(C)(C)C3)cccc2c1
Show InChI InChI=1S/C21H29NO/c1-21(2)12-6-14-22(16-21)13-5-9-17-7-4-8-18-15-19(23-3)10-11-20(17)18/h4,7-8,10-11,15H,5-6,9,12-14,16H2,1-3H3
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 0.350n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179277
PNG
(1-(4-(6-methoxynaphthalen-1-yl)butyl)-3,3-dimethyl...)
Show SMILES COc1ccc2c(CCCCN3CCCC(C)(C)C3)cccc2c1
Show InChI InChI=1S/C22H31NO/c1-22(2)13-7-15-23(17-22)14-5-4-8-18-9-6-10-19-16-20(24-3)11-12-21(18)19/h6,9-12,16H,4-5,7-8,13-15,17H2,1-3H3
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 0.360n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179269
PNG
(1-(4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1ccc2C(CCCCN3CCC(C)CC3)CCCc2c1
Show InChI InChI=1S/C21H33NO/c1-17-11-14-22(15-12-17)13-4-3-6-18-7-5-8-19-16-20(23-2)9-10-21(18)19/h9-10,16-18H,3-8,11-15H2,1-2H3
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 0.420n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179278
PNG
((+)-(S)-1-(4-(6-methoxynaphthalen-1-yl)butyl)-2-me...)
Show SMILES COc1ccc2c(CCCCN3CCCC[C@@H]3C)cccc2c1
Show InChI InChI=1S/C21H29NO/c1-17-8-3-5-14-22(17)15-6-4-9-18-10-7-11-19-16-20(23-2)12-13-21(18)19/h7,10-13,16-17H,3-6,8-9,14-15H2,1-2H3/t17-/m0/s1
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 0.5n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179263
PNG
((+)-(S)-1-(4-(6-methoxynaphthalen-1-yl)butyl)-3-me...)
Show SMILES COc1ccc2c(CCCCN3CCC[C@H](C)C3)cccc2c1
Show InChI InChI=1S/C21H29NO/c1-17-7-6-14-22(16-17)13-4-3-8-18-9-5-10-19-15-20(23-2)11-12-21(18)19/h5,9-12,15,17H,3-4,6-8,13-14,16H2,1-2H3/t17-/m0/s1
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 0.660n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179259
PNG
(1-(4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1ccc2C(CCCCN3CCCCC3)CCCc2c1
Show InChI InChI=1S/C20H31NO/c1-22-19-11-12-20-17(9-7-10-18(20)16-19)8-3-6-15-21-13-4-2-5-14-21/h11-12,16-17H,2-10,13-15H2,1H3
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 1.01n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50170660
PNG
(CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...)
Show SMILES CCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1
Show InChI InChI=1S/C23H33NO2/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20/h6-12,19H,4-5,13-18H2,1-3H3
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 1.03n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179271
PNG
(1-(4-(6-methoxynaphthalen-1-yl)butyl)piperidine | ...)
Show SMILES COc1ccc2c(CCCCN3CCCCC3)cccc2c1
Show InChI InChI=1S/C20H27NO/c1-22-19-11-12-20-17(9-7-10-18(20)16-19)8-3-6-15-21-13-4-2-5-14-21/h7,9-12,16H,2-6,8,13-15H2,1H3
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 1.14n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179281
PNG
(1-(3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1ccc2C(CCCN3CCC(C)(C)CC3)CCCc2c1
Show InChI InChI=1S/C21H33NO/c1-21(2)11-14-22(15-12-21)13-5-8-17-6-4-7-18-16-19(23-3)9-10-20(17)18/h9-10,16-17H,4-8,11-15H2,1-3H3
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 1.18n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179266
PNG
(1-(3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1ccc2C(CCCN3CCCCC3)CCCc2c1
Show InChI InChI=1S/C19H29NO/c1-21-18-10-11-19-16(7-5-8-17(19)15-18)9-6-14-20-12-3-2-4-13-20/h10-11,15-16H,2-9,12-14H2,1H3
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 1.20n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179272
PNG
((-)-(R)-1-(3-(6-methoxynaphthalen-1-yl)propyl)-3-m...)
Show SMILES COc1ccc2c(CCCN3CCC[C@@H](C)C3)cccc2c1
Show InChI InChI=1S/C20H27NO/c1-16-6-4-12-21(15-16)13-5-9-17-7-3-8-18-14-19(22-2)10-11-20(17)18/h3,7-8,10-11,14,16H,4-6,9,12-13,15H2,1-2H3/t16-/m1/s1
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 1.35n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179275
PNG
((-)-(R)-1-(4-(6-methoxynaphthalen-1-yl)butyl)-2-me...)
Show SMILES COc1ccc2c(CCCCN3CCCC[C@H]3C)cccc2c1
Show InChI InChI=1S/C21H29NO/c1-17-8-3-5-14-22(17)15-6-4-9-18-10-7-11-19-16-20(23-2)12-13-21(18)19/h7,10-13,16-17H,3-6,8-9,14-15H2,1-2H3/t17-/m1/s1
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 1.43n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179276
PNG
(1-(3-(6-methoxynaphthalen-1-yl)propyl)-4,4-dimethy...)
Show SMILES COc1ccc2c(CCCN3CCC(C)(C)CC3)cccc2c1
Show InChI InChI=1S/C21H29NO/c1-21(2)11-14-22(15-12-21)13-5-8-17-6-4-7-18-16-19(23-3)9-10-20(17)18/h4,6-7,9-10,16H,5,8,11-15H2,1-3H3
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 1.47n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179268
PNG
(1-(3-(6-methoxynaphthalen-1-yl)propyl)-4-methylpip...)
Show SMILES COc1ccc2c(CCCN3CCC(C)CC3)cccc2c1
Show InChI InChI=1S/C20H27NO/c1-16-10-13-21(14-11-16)12-4-7-17-5-3-6-18-15-19(22-2)8-9-20(17)18/h3,5-6,8-9,15-16H,4,7,10-14H2,1-2H3
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 1.5n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179285
PNG
(1-(3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1ccc2C(CCCN3CCC(C)CC3)CCCc2c1
Show InChI InChI=1S/C20H31NO/c1-16-10-13-21(14-11-16)12-4-7-17-5-3-6-18-15-19(22-2)8-9-20(17)18/h8-9,15-17H,3-7,10-14H2,1-2H3
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 1.78n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50179265
PNG
(1-(4-(6-methoxynaphthalen-1-yl)butyl)-4,4-dimethyl...)
Show SMILES COc1ccc2c(CCCCN3CCC(C)(C)CC3)cccc2c1
Show InChI InChI=1S/C22H31NO/c1-22(2)12-15-23(16-13-22)14-5-4-7-18-8-6-9-19-17-20(24-3)10-11-21(18)19/h6,8-11,17H,4-5,7,12-16H2,1-3H3
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 1.82n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179261
PNG
((-)-(R)-1-(3-(6-methoxynaphthalen-1-yl)propyl)-2-m...)
Show SMILES COc1ccc2c(CCCN3CCCC[C@H]3C)cccc2c1
Show InChI InChI=1S/C20H27NO/c1-16-7-3-4-13-21(16)14-6-10-17-8-5-9-18-15-19(22-2)11-12-20(17)18/h5,8-9,11-12,15-16H,3-4,6-7,10,13-14H2,1-2H3/t16-/m1/s1
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 1.83n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50179277
PNG
(1-(4-(6-methoxynaphthalen-1-yl)butyl)-3,3-dimethyl...)
Show SMILES COc1ccc2c(CCCCN3CCCC(C)(C)C3)cccc2c1
Show InChI InChI=1S/C22H31NO/c1-22(2)13-7-15-23(17-22)14-5-4-8-18-9-6-10-19-16-20(24-3)11-12-21(18)19/h6,9-12,16H,4-5,7-8,13-15,17H2,1-3H3
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 1.89n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179265
PNG
(1-(4-(6-methoxynaphthalen-1-yl)butyl)-4,4-dimethyl...)
Show SMILES COc1ccc2c(CCCCN3CCC(C)(C)CC3)cccc2c1
Show InChI InChI=1S/C22H31NO/c1-22(2)12-15-23(16-13-22)14-5-4-7-18-8-6-9-19-17-20(24-3)10-11-21(18)19/h6,8-11,17H,4-5,7,12-16H2,1-3H3
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 2.25n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		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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 2.80n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50179263
PNG
((+)-(S)-1-(4-(6-methoxynaphthalen-1-yl)butyl)-3-me...)
Show SMILES COc1ccc2c(CCCCN3CCC[C@H](C)C3)cccc2c1
Show InChI InChI=1S/C21H29NO/c1-17-7-6-14-22(16-17)13-4-3-8-18-9-5-10-19-15-20(23-2)11-12-21(18)19/h5,9-12,15,17H,3-4,6-8,13-14,16H2,1-2H3/t17-/m0/s1
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 2.81n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179270
PNG
((+)-(S)-1-(3-(6-methoxynaphthalen-1-yl)propyl)-3-m...)
Show SMILES COc1ccc2c(CCCN3CCC[C@H](C)C3)cccc2c1
Show InChI InChI=1S/C20H27NO/c1-16-6-4-12-21(15-16)13-5-9-17-7-3-8-18-14-19(22-2)10-11-20(17)18/h3,7-8,10-11,14,16H,4-6,9,12-13,15H2,1-2H3/t16-/m0/s1
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 3.32n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50179270
PNG
((+)-(S)-1-(3-(6-methoxynaphthalen-1-yl)propyl)-3-m...)
Show SMILES COc1ccc2c(CCCN3CCC[C@H](C)C3)cccc2c1
Show InChI InChI=1S/C20H27NO/c1-16-6-4-12-21(15-16)13-5-9-17-7-3-8-18-14-19(22-2)10-11-20(17)18/h3,7-8,10-11,14,16H,4-6,9,12-13,15H2,1-2H3/t16-/m0/s1
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 3.41n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50179259
PNG
(1-(4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1ccc2C(CCCCN3CCCCC3)CCCc2c1
Show InChI InChI=1S/C20H31NO/c1-22-19-11-12-20-17(9-7-10-18(20)16-19)8-3-6-15-21-13-4-2-5-14-21/h11-12,16-17H,2-10,13-15H2,1H3
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 3.57n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50179262
PNG
(1-(4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1ccc2C(CCCCN3CCC(C)(C)CC3)CCCc2c1
Show InChI InChI=1S/C22H35NO/c1-22(2)12-15-23(16-13-22)14-5-4-7-18-8-6-9-19-17-20(24-3)10-11-21(18)19/h10-11,17-18H,4-9,12-16H2,1-3H3
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 4.11n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
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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 4.70n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50179285
PNG
(1-(3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1ccc2C(CCCN3CCC(C)CC3)CCCc2c1
Show InChI InChI=1S/C20H31NO/c1-16-10-13-21(14-11-16)12-4-7-17-5-3-6-18-15-19(22-2)8-9-20(17)18/h8-9,15-17H,3-7,10-14H2,1-2H3
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 5.34n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50179281
PNG
(1-(3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1ccc2C(CCCN3CCC(C)(C)CC3)CCCc2c1
Show InChI InChI=1S/C21H33NO/c1-21(2)11-14-22(15-12-21)13-5-8-17-6-4-7-18-16-19(23-3)9-10-20(17)18/h9-10,16-17H,4-8,11-15H2,1-3H3
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 5.39n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50179269
PNG
(1-(4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1ccc2C(CCCCN3CCC(C)CC3)CCCc2c1
Show InChI InChI=1S/C21H33NO/c1-17-11-14-22(15-12-17)13-4-3-6-18-7-5-8-19-16-20(23-2)9-10-21(18)19/h9-10,16-18H,3-8,11-15H2,1-2H3
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 5.55n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179267
PNG
(1-(4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1ccc2C(CCCCN3CCCCC3(C)C)CCCc2c1
Show InChI InChI=1S/C22H35NO/c1-22(2)14-5-7-16-23(22)15-6-4-9-18-10-8-11-19-17-20(24-3)12-13-21(18)19/h12-13,17-18H,4-11,14-16H2,1-3H3
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 6.16n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50179275
PNG
((-)-(R)-1-(4-(6-methoxynaphthalen-1-yl)butyl)-2-me...)
Show SMILES COc1ccc2c(CCCCN3CCCC[C@H]3C)cccc2c1
Show InChI InChI=1S/C21H29NO/c1-17-8-3-5-14-22(17)15-6-4-9-18-10-7-11-19-16-20(23-2)12-13-21(18)19/h7,10-13,16-17H,3-6,8-9,14-15H2,1-2H3/t17-/m1/s1
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 6.44n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179286
PNG
((+)-(S)-1-(3-(6-methoxynaphthalen-1-yl)propyl)-2-m...)
Show SMILES COc1ccc2c(CCCN3CCCC[C@@H]3C)cccc2c1
Show InChI InChI=1S/C20H27NO/c1-16-7-3-4-13-21(16)14-6-10-17-8-5-9-18-15-19(22-2)11-12-20(17)18/h5,8-9,11-12,15-16H,3-4,6-7,10,13-14H2,1-2H3/t16-/m0/s1
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 7.05n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50179278
PNG
((+)-(S)-1-(4-(6-methoxynaphthalen-1-yl)butyl)-2-me...)
Show SMILES COc1ccc2c(CCCCN3CCCC[C@@H]3C)cccc2c1
Show InChI InChI=1S/C21H29NO/c1-17-8-3-5-14-22(17)15-6-4-9-18-10-7-11-19-16-20(23-2)12-13-21(18)19/h7,10-13,16-17H,3-6,8-9,14-15H2,1-2H3/t17-/m0/s1
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 7.20n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179279
PNG
(1-(3-(6-methoxynaphthalen-1-yl)propyl)piperidine h...)
Show SMILES COc1ccc2c(CCCN3CCCCC3)cccc2c1
Show InChI InChI=1S/C19H25NO/c1-21-18-10-11-19-16(7-5-8-17(19)15-18)9-6-14-20-12-3-2-4-13-20/h5,7-8,10-11,15H,2-4,6,9,12-14H2,1H3
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 7.80n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50179280
PNG
(1-(4-(6-methoxynaphthalen-1-yl)butyl)-4-methylpipe...)
Show SMILES COc1ccc2c(CCCCN3CCC(C)CC3)cccc2c1
Show InChI InChI=1S/C21H29NO/c1-17-11-14-22(15-12-17)13-4-3-6-18-7-5-8-19-16-20(23-2)9-10-21(18)19/h5,7-10,16-17H,3-4,6,11-15H2,1-2H3
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 8.04n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50179260
PNG
(1-(3-(6-methoxynaphthalen-1-yl)propyl)-3,3-dimethy...)
Show SMILES COc1ccc2c(CCCN3CCCC(C)(C)C3)cccc2c1
Show InChI InChI=1S/C21H29NO/c1-21(2)12-6-14-22(16-21)13-5-9-17-7-4-8-18-15-19(23-3)10-11-20(17)18/h4,7-8,10-11,15H,5-6,9,12-14,16H2,1-3H3
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 8.71n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50179267
PNG
(1-(4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1ccc2C(CCCCN3CCCCC3(C)C)CCCc2c1
Show InChI InChI=1S/C22H35NO/c1-22(2)14-5-7-16-23(22)15-6-4-9-18-10-8-11-19-17-20(24-3)12-13-21(18)19/h12-13,17-18H,4-11,14-16H2,1-3H3
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 8.97n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50179276
PNG
(1-(3-(6-methoxynaphthalen-1-yl)propyl)-4,4-dimethy...)
Show SMILES COc1ccc2c(CCCN3CCC(C)(C)CC3)cccc2c1
Show InChI InChI=1S/C21H29NO/c1-21(2)11-14-22(15-12-21)13-5-8-17-6-4-7-18-16-19(23-3)9-10-20(17)18/h4,6-7,9-10,16H,5,8,11-15H2,1-3H3
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 9.04n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50179261
PNG
((-)-(R)-1-(3-(6-methoxynaphthalen-1-yl)propyl)-2-m...)
Show SMILES COc1ccc2c(CCCN3CCCC[C@H]3C)cccc2c1
Show InChI InChI=1S/C20H27NO/c1-16-7-3-4-13-21(16)14-6-10-17-8-5-9-18-15-19(22-2)11-12-20(17)18/h5,8-9,11-12,15-16H,3-4,6-7,10,13-14H2,1-2H3/t16-/m1/s1
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 11.1n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50179264
PNG
(1-(4-(6-methoxynaphthalen-1-yl)butyl)-2,2-dimethyl...)
Show SMILES COc1ccc2c(CCCCN3CCCCC3(C)C)cccc2c1
Show InChI InChI=1S/C22H31NO/c1-22(2)14-5-7-16-23(22)15-6-4-9-18-10-8-11-19-17-20(24-3)12-13-21(18)19/h8,10-13,17H,4-7,9,14-16H2,1-3H3
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 11.7n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50179257
PNG
((-)-(R)-1-(4-(6-methoxynaphthalen-1-yl)butyl)-3-me...)
Show SMILES COc1ccc2c(CCCCN3CCC[C@@H](C)C3)cccc2c1
Show InChI InChI=1S/C21H29NO/c1-17-7-6-14-22(16-17)13-4-3-8-18-9-5-10-19-15-20(23-2)11-12-21(18)19/h5,9-12,15,17H,3-4,6-8,13-14,16H2,1-2H3/t17-/m1/s1
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 14.6n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50170660
PNG
(CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...)
Show SMILES CCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1
Show InChI InChI=1S/C23H33NO2/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20/h6-12,19H,4-5,13-18H2,1-3H3
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 14.6n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50179273
PNG
(1-(3-(6-methoxynaphthalen-1-yl)propyl)-2,2-dimethy...)
Show SMILES COc1ccc2c(CCCN3CCCCC3(C)C)cccc2c1
Show InChI InChI=1S/C21H29NO/c1-21(2)13-4-5-14-22(21)15-7-10-17-8-6-9-18-16-19(23-3)11-12-20(17)18/h6,8-9,11-12,16H,4-5,7,10,13-15H2,1-3H3
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 14.9n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50179258
PNG
(1-(3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1ccc2C(CCCN3CCCCC3(C)C)CCCc2c1
Show InChI InChI=1S/C21H33NO/c1-21(2)13-4-5-14-22(21)15-7-10-17-8-6-9-18-16-19(23-3)11-12-20(17)18/h11-12,16-17H,4-10,13-15H2,1-3H3
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 16.4n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50179266
PNG
(1-(3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1ccc2C(CCCN3CCCCC3)CCCc2c1
Show InChI InChI=1S/C19H29NO/c1-21-18-10-11-19-16(7-5-8-17(19)15-18)9-6-14-20-12-3-2-4-13-20/h10-11,15-16H,2-9,12-14H2,1H3
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 17.9n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50179272
PNG
((-)-(R)-1-(3-(6-methoxynaphthalen-1-yl)propyl)-3-m...)
Show SMILES COc1ccc2c(CCCN3CCC[C@@H](C)C3)cccc2c1
Show InChI InChI=1S/C20H27NO/c1-16-6-4-12-21(15-16)13-5-9-17-7-3-8-18-14-19(22-2)10-11-20(17)18/h3,7-8,10-11,14,16H,4-6,9,12-13,15H2,1-2H3/t16-/m1/s1
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 19.3n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50179271
PNG
(1-(4-(6-methoxynaphthalen-1-yl)butyl)piperidine | ...)
Show SMILES COc1ccc2c(CCCCN3CCCCC3)cccc2c1
Show InChI InChI=1S/C20H27NO/c1-22-19-11-12-20-17(9-7-10-18(20)16-19)8-3-6-15-21-13-4-2-5-14-21/h7,9-12,16H,2-6,8,13-15H2,1H3
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 19.5n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50179268
PNG
(1-(3-(6-methoxynaphthalen-1-yl)propyl)-4-methylpip...)
Show SMILES COc1ccc2c(CCCN3CCC(C)CC3)cccc2c1
Show InChI InChI=1S/C20H27NO/c1-16-10-13-21(14-11-16)12-4-7-17-5-3-6-18-15-19(22-2)8-9-20(17)18/h3,5-6,8-9,15-16H,4,7,10-14H2,1-2H3
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 19.5n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179264
PNG
(1-(4-(6-methoxynaphthalen-1-yl)butyl)-2,2-dimethyl...)
Show SMILES COc1ccc2c(CCCCN3CCCCC3(C)C)cccc2c1
Show InChI InChI=1S/C22H31NO/c1-22(2)14-5-7-16-23(22)15-6-4-9-18-10-8-11-19-17-20(24-3)12-13-21(18)19/h8,10-13,17H,4-7,9,14-16H2,1-3H3
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 22.2n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50179279
PNG
(1-(3-(6-methoxynaphthalen-1-yl)propyl)piperidine h...)
Show SMILES COc1ccc2c(CCCN3CCCCC3)cccc2c1
Show InChI InChI=1S/C19H25NO/c1-21-18-10-11-19-16(7-5-8-17(19)15-18)9-6-14-20-12-3-2-4-13-20/h5,7-8,10-11,15H,2-4,6,9,12-14H2,1H3
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 37.6n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50179286
PNG
((+)-(S)-1-(3-(6-methoxynaphthalen-1-yl)propyl)-2-m...)
Show SMILES COc1ccc2c(CCCN3CCCC[C@@H]3C)cccc2c1
Show InChI InChI=1S/C20H27NO/c1-16-7-3-4-13-21(16)14-6-10-17-8-5-9-18-15-19(22-2)11-12-20(17)18/h5,8-9,11-12,15-16H,3-4,6-7,10,13-14H2,1-2H3/t16-/m0/s1
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 46.5n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179258
PNG
(1-(3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1ccc2C(CCCN3CCCCC3(C)C)CCCc2c1
Show InChI InChI=1S/C21H33NO/c1-21(2)13-4-5-14-22(21)15-7-10-17-8-6-9-18-16-19(23-3)11-12-20(17)18/h11-12,16-17H,4-10,13-15H2,1-3H3
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 178n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50179273
PNG
(1-(3-(6-methoxynaphthalen-1-yl)propyl)-2,2-dimethy...)
Show SMILES COc1ccc2c(CCCN3CCCCC3(C)C)cccc2c1
Show InChI InChI=1S/C21H29NO/c1-21(2)13-4-5-14-22(21)15-7-10-17-8-6-9-18-16-19(23-3)11-12-20(17)18/h6,8-9,11-12,16H,4-5,7,10,13-15H2,1-3H3
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 1.06E+3n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		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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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50179277
PNG
(1-(4-(6-methoxynaphthalen-1-yl)butyl)-3,3-dimethyl...)
Show SMILES COc1ccc2c(CCCCN3CCCC(C)(C)C3)cccc2c1
Show InChI InChI=1S/C22H31NO/c1-22(2)13-7-15-23(17-22)14-5-4-8-18-9-6-10-19-16-20(24-3)11-12-21(18)19/h6,9-12,16H,4-5,7-8,13-15,17H2,1-3H3
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n/an/an/an/a 1.50E+4n/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Antiproliferative activity mediated by sigma 1 receptor in rat C6 glioma cells by MTT assay

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50179280
PNG
(1-(4-(6-methoxynaphthalen-1-yl)butyl)-4-methylpipe...)
Show SMILES COc1ccc2c(CCCCN3CCC(C)CC3)cccc2c1
Show InChI InChI=1S/C21H29NO/c1-17-11-14-22(15-12-17)13-4-3-6-18-7-5-8-19-16-20(23-2)9-10-21(18)19/h5,7-10,16-17H,3-4,6,11-15H2,1-2H3
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n/an/an/an/a 2.55E+4n/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Antiproliferative activity mediated by sigma 1 receptor in rat C6 glioma cells by MTT assay

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50170660
PNG
(CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...)
Show SMILES CCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1
Show InChI InChI=1S/C23H33NO2/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20/h6-12,19H,4-5,13-18H2,1-3H3
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n/an/an/an/a 1.07E+4n/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Antiproliferative activity mediated by sigma 1 receptor in rat C6 glioma cells by MTT assay

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50179271
PNG
(1-(4-(6-methoxynaphthalen-1-yl)butyl)piperidine | ...)
Show SMILES COc1ccc2c(CCCCN3CCCCC3)cccc2c1
Show InChI InChI=1S/C20H27NO/c1-22-19-11-12-20-17(9-7-10-18(20)16-19)8-3-6-15-21-13-4-2-5-14-21/h7,9-12,16H,2-6,8,13-15H2,1H3
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n/an/an/an/a 1.94E+4n/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Antiproliferative activity mediated by sigma 1 receptor in rat C6 glioma cells by MTT assay

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50179260
PNG
(1-(3-(6-methoxynaphthalen-1-yl)propyl)-3,3-dimethy...)
Show SMILES COc1ccc2c(CCCN3CCCC(C)(C)C3)cccc2c1
Show InChI InChI=1S/C21H29NO/c1-21(2)12-6-14-22(16-21)13-5-9-17-7-4-8-18-15-19(23-3)10-11-20(17)18/h4,7-8,10-11,15H,5-6,9,12-14,16H2,1-3H3
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n/an/an/an/a 4.02E+4n/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Antiproliferative activity mediated by sigma 1 receptor in rat C6 glioma cells by MTT assay

J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%