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PubMed code 19842660

Compile data set for download or QSAR
Found 49 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))		BDBM50299711
PNG
(4-Cyclohexyl-1-[3-(5-methoxy-1,2,3,4-tetrahydronap...)
Show SMILES COc1cccc2C(CCC(=O)N3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C24H36N2O2/c1-28-23-12-6-10-21-19(7-5-11-22(21)23)13-14-24(27)26-17-15-25(16-18-26)20-8-3-2-4-9-20/h6,10,12,19-20H,2-5,7-9,11,13-18H2,1H3
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 0.110n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine ((+)-[2S-(2R,6R,11R)]-1,2,3,4,5,6-hexahydro-6,11-dimethyl- 3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocine- 8-ol...

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50299726
PNG
(1-cyclohexyl-4-(3-cyclohexylpropyl)piperazine | CH...)
Show SMILES C(CC1CCCCC1)CN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C19H36N2/c1-3-8-18(9-4-1)10-7-13-20-14-16-21(17-15-20)19-11-5-2-6-12-19/h18-19H,1-17H2
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 0.25n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine ((+)-[2S-(2R,6R,11R)]-1,2,3,4,5,6-hexahydro-6,11-dimethyl- 3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocine- 8-ol...

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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 0.380n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


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

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50299710
PNG
(4-Cyclohexyl-1-[N-(5-methoxy-1,2,3,4-tetrahydronap...)
Show SMILES COc1cccc2C(CCCc12)NCCN1CCC(CC1)C1CCCCC1
Show InChI InChI=1S/C24H38N2O/c1-27-24-12-6-9-21-22(24)10-5-11-23(21)25-15-18-26-16-13-20(14-17-26)19-7-3-2-4-8-19/h6,9,12,19-20,23,25H,2-5,7-8,10-11,13-18H2,1H3
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 0.670n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine ((+)-[2S-(2R,6R,11R)]-1,2,3,4,5,6-hexahydro-6,11-dimethyl- 3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocine- 8-ol...

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50299708
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronap...)
Show SMILES COc1cccc2C(CCCC3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C25H39NO/c1-27-25-15-7-13-23-21(10-6-14-24(23)25)9-5-8-20-16-18-26(19-17-20)22-11-3-2-4-12-22/h7,13,15,20-22H,2-6,8-12,14,16-19H2,1H3
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 1.10n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine ((+)-[2S-(2R,6R,11R)]-1,2,3,4,5,6-hexahydro-6,11-dimethyl- 3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocine- 8-ol...

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50299708
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronap...)
Show SMILES COc1cccc2C(CCCC3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C25H39NO/c1-27-25-15-7-13-23-21(10-6-14-24(23)25)9-5-8-20-16-18-26(19-17-20)22-11-3-2-4-12-22/h7,13,15,20-22H,2-6,8-12,14,16-19H2,1H3
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 1.46n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane by radioreceptor binding assay

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50299724
PNG
(1,4-dicyclohexylpiperazine | CHEMBL573703)
Show SMILES C1CCC(CC1)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C16H30N2/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h15-16H,1-14H2
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 2.05n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine ((+)-[2S-(2R,6R,11R)]-1,2,3,4,5,6-hexahydro-6,11-dimethyl- 3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocine- 8-ol...

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
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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 3.31n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine ((+)-[2S-(2R,6R,11R)]-1,2,3,4,5,6-hexahydro-6,11-dimethyl- 3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocine- 8-ol...

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50054117
PNG
(1-(3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1cccc2C(CCCN3CCCCC3)CCCc12
Show InChI InChI=1S/C19H29NO/c1-21-19-12-6-10-17-16(8-5-11-18(17)19)9-7-15-20-13-3-2-4-14-20/h6,10,12,16H,2-5,7-9,11,13-15H2,1H3
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 3.38n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine ((+)-[2S-(2R,6R,11R)]-1,2,3,4,5,6-hexahydro-6,11-dimethyl- 3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocine- 8-ol...

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50299725
PNG
(CHEMBL573704 | cyclohexyl(4-cyclohexylpiperazin-1-...)
Show SMILES O=C(C1CCCCC1)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C17H30N2O/c20-17(15-7-3-1-4-8-15)19-13-11-18(12-14-19)16-9-5-2-6-10-16/h15-16H,1-14H2
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 3.59n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine ((+)-[2S-(2R,6R,11R)]-1,2,3,4,5,6-hexahydro-6,11-dimethyl- 3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocine- 8-ol...

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50299726
PNG
(1-cyclohexyl-4-(3-cyclohexylpropyl)piperazine | CH...)
Show SMILES C(CC1CCCCC1)CN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C19H36N2/c1-3-8-18(9-4-1)10-7-13-20-14-16-21(17-15-20)19-11-5-2-6-12-19/h18-19H,1-17H2
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 4.70n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane by radioreceptor binding assay

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50299707
PNG
(4-Cyclohexyl-4-hydroxy-1-[3-(5-methoxy-1,2,3,4-tet...)
Show SMILES COc1cccc2C(CCCN3CCC(O)(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C25H39NO2/c1-28-24-14-6-12-22-20(8-5-13-23(22)24)9-7-17-26-18-15-25(27,16-19-26)21-10-3-2-4-11-21/h6,12,14,20-21,27H,2-5,7-11,13,15-19H2,1H3
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 5.56n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine ((+)-[2S-(2R,6R,11R)]-1,2,3,4,5,6-hexahydro-6,11-dimethyl- 3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocine- 8-ol...

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50299706
PNG
(4-Cyclohexyl-1-[3-(5-methoxy-1,2,3,4-tetrahydronap...)
Show SMILES COc1cccc2C(CCCN3CCC(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C25H39NO/c1-27-25-14-6-12-23-22(10-5-13-24(23)25)11-7-17-26-18-15-21(16-19-26)20-8-3-2-4-9-20/h6,12,14,20-22H,2-5,7-11,13,15-19H2,1H3
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 7.40n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane by radioreceptor binding assay

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50299711
PNG
(4-Cyclohexyl-1-[3-(5-methoxy-1,2,3,4-tetrahydronap...)
Show SMILES COc1cccc2C(CCC(=O)N3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C24H36N2O2/c1-28-23-12-6-10-21-19(7-5-11-22(21)23)13-14-24(27)26-17-15-25(16-18-26)20-8-3-2-4-9-20/h6,10,12,19-20H,2-5,7-9,11,13-18H2,1H3
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 7.40n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane by radioreceptor binding assay

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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 8.38n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane by radioreceptor binding assay

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50299717
PNG
(4-[3-(5-Methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1cccc2C(CCCN3CCOCC3)CCCc12
Show InChI InChI=1S/C18H27NO2/c1-20-18-9-3-7-16-15(5-2-8-17(16)18)6-4-10-19-11-13-21-14-12-19/h3,7,9,15H,2,4-6,8,10-14H2,1H3
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 9.10n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine ((+)-[2S-(2R,6R,11R)]-1,2,3,4,5,6-hexahydro-6,11-dimethyl- 3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocine- 8-ol...

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
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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 10n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane by radioreceptor binding assay

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50299707
PNG
(4-Cyclohexyl-4-hydroxy-1-[3-(5-methoxy-1,2,3,4-tet...)
Show SMILES COc1cccc2C(CCCN3CCC(O)(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C25H39NO2/c1-28-24-14-6-12-22-20(8-5-13-23(22)24)9-7-17-26-18-15-25(27,16-19-26)21-10-3-2-4-11-21/h6,12,14,20-21,27H,2-5,7-11,13,15-19H2,1H3
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 10.4n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane by radioreceptor binding assay

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50054117
PNG
(1-(3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1cccc2C(CCCN3CCCCC3)CCCc12
Show InChI InChI=1S/C19H29NO/c1-21-19-12-6-10-17-16(8-5-11-18(17)19)9-7-15-20-13-3-2-4-14-20/h6,10,12,16H,2-5,7-9,11,13-15H2,1H3
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 11.1n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane by radioreceptor binding assay

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50299724
PNG
(1,4-dicyclohexylpiperazine | CHEMBL573703)
Show SMILES C1CCC(CC1)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C16H30N2/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h15-16H,1-14H2
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 17n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane by radioreceptor binding assay

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50054117
PNG
(1-(3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1cccc2C(CCCN3CCCCC3)CCCc12
Show InChI InChI=1S/C19H29NO/c1-21-19-12-6-10-17-16(8-5-11-18(17)19)9-7-15-20-13-3-2-4-14-20/h6,10,12,16H,2-5,7-9,11,13-15H2,1H3
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 18.2n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-pentazocine from sigma 1 receptor in rat whole brain

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50299712
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronap...)
Show SMILES COc1cccc2C(CCCN3CC[N+](C)(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C25H41N2O/c1-27(22-11-4-3-5-12-22)19-17-26(18-20-27)16-8-10-21-9-6-14-24-23(21)13-7-15-25(24)28-2/h7,13,15,21-22H,3-6,8-12,14,16-20H2,1-2H3/q+1
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 23n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane by radioreceptor binding assay

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50299714
PNG
(4-Cyclohexyl-1-[3-(5-methoxy-1,2,3,4-tetrahydronap...)
Show SMILES COc1cccc2C(CCC[N+]3(C)CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C25H41N2O/c1-27(19-16-26(17-20-27)22-11-4-3-5-12-22)18-8-10-21-9-6-14-24-23(21)13-7-15-25(24)28-2/h7,13,15,21-22H,3-6,8-12,14,16-20H2,1-2H3/q+1
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 32n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane by radioreceptor binding assay

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50048874
PNG
(1-(3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1cccc2C(CCCN3CCNCC3)CCCc12
Show InChI InChI=1S/C18H28N2O/c1-21-18-9-3-7-16-15(5-2-8-17(16)18)6-4-12-20-13-10-19-11-14-20/h3,7,9,15,19H,2,4-6,8,10-14H2,1H3
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 35.4n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane by radioreceptor binding assay

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50299705
PNG
(4-Cyclohexyl-1-[5-(5-methoxy-1,2,3,4-tetrahydronap...)
Show SMILES COc1cccc2C(CCCCCN3CCC(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C27H43NO/c1-29-27-16-9-14-25-24(13-8-15-26(25)27)12-6-3-7-19-28-20-17-23(18-21-28)22-10-4-2-5-11-22/h9,14,16,22-24H,2-8,10-13,15,17-21H2,1H3
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 49n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane by radioreceptor binding assay

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50299722
PNG
(1-cyclohexyl-4-ethylpiperazine | CHEMBL575238)
Show SMILES CCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C12H24N2/c1-2-13-8-10-14(11-9-13)12-6-4-3-5-7-12/h12H,2-11H2,1H3
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 62.4n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine ((+)-[2S-(2R,6R,11R)]-1,2,3,4,5,6-hexahydro-6,11-dimethyl- 3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocine- 8-ol...

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50299714
PNG
(4-Cyclohexyl-1-[3-(5-methoxy-1,2,3,4-tetrahydronap...)
Show SMILES COc1cccc2C(CCC[N+]3(C)CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C25H41N2O/c1-27(19-16-26(17-20-27)22-11-4-3-5-12-22)18-8-10-21-9-6-14-24-23(21)13-7-15-25(24)28-2/h7,13,15,21-22H,3-6,8-12,14,16-20H2,1-2H3/q+1
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 63.7n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine ((+)-[2S-(2R,6R,11R)]-1,2,3,4,5,6-hexahydro-6,11-dimethyl- 3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocine- 8-ol...

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50299722
PNG
(1-cyclohexyl-4-ethylpiperazine | CHEMBL575238)
Show SMILES CCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C12H24N2/c1-2-13-8-10-14(11-9-13)12-6-4-3-5-7-12/h12H,2-11H2,1H3
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 64.4n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane by radioreceptor binding assay

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM81982
PNG
(CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...)
Show SMILES Cc1ccccc1NC(N)=Nc1ccccc1C |w:10.11|
Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
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 88.5n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity to sigma 1 receptor in rat C6 cells

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50299709
PNG
(4-Cyclohexyl-1-[2-(5-methoxy-1,2,3,4-tetrahydronap...)
Show SMILES COc1cccc2C(CCCc12)OCCN1CCC(CC1)C1CCCCC1
Show InChI InChI=1S/C24H37NO2/c1-26-23-11-5-10-22-21(23)9-6-12-24(22)27-18-17-25-15-13-20(14-16-25)19-7-3-2-4-8-19/h5,10-11,19-20,24H,2-4,6-9,12-18H2,1H3
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 91n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine ((+)-[2S-(2R,6R,11R)]-1,2,3,4,5,6-hexahydro-6,11-dimethyl- 3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocine- 8-ol...

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50299706
PNG
(4-Cyclohexyl-1-[3-(5-methoxy-1,2,3,4-tetrahydronap...)
Show SMILES COc1cccc2C(CCCN3CCC(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C25H39NO/c1-27-25-14-6-12-23-22(10-5-13-24(23)25)11-7-17-26-18-15-21(16-19-26)20-8-3-2-4-9-20/h6,12,14,20-22H,2-5,7-11,13,15-19H2,1H3
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 143n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine ((+)-[2S-(2R,6R,11R)]-1,2,3,4,5,6-hexahydro-6,11-dimethyl- 3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocine- 8-ol...

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50299713
PNG
(1-Cyclohexyl-1,4-dimethyl-4-[3-(5-methoxy-1,2,3,4-...)
Show SMILES COc1cccc2C(CCC[N+]3(C)CC[N+](C)(CC3)C3CCCCC3)CCCc12 |(-8.47,-48.94,;-7.14,-48.17,;-7.14,-46.63,;-8.47,-45.86,;-8.47,-44.32,;-7.14,-43.55,;-5.81,-44.31,;-4.47,-43.53,;-4.47,-41.99,;-3.13,-41.22,;-1.8,-41.99,;-.47,-41.23,;-.48,-42.76,;.87,-42,;2.2,-41.24,;2.2,-39.7,;2.19,-38.16,;.87,-38.92,;-.47,-39.69,;3.54,-38.94,;4.87,-39.71,;6.2,-38.96,;6.22,-37.42,;4.89,-36.64,;3.54,-37.4,;-3.12,-44.32,;-3.12,-45.87,;-4.47,-46.64,;-5.81,-45.87,)|
Show InChI InChI=1S/C26H44N2O/c1-27(18-20-28(2,21-19-27)23-12-5-4-6-13-23)17-9-11-22-10-7-15-25-24(22)14-8-16-26(25)29-3/h8,14,16,22-23H,4-7,9-13,15,17-21H2,1-3H3/q+2
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 150n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane by radioreceptor binding assay

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50048874
PNG
(1-(3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1cccc2C(CCCN3CCNCC3)CCCc12
Show InChI InChI=1S/C18H28N2O/c1-21-18-9-3-7-16-15(5-2-8-17(16)18)6-4-12-20-13-10-19-11-14-20/h3,7,9,15,19H,2,4-6,8,10-14H2,1H3
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 218n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine ((+)-[2S-(2R,6R,11R)]-1,2,3,4,5,6-hexahydro-6,11-dimethyl- 3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocine- 8-ol...

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50299725
PNG
(CHEMBL573704 | cyclohexyl(4-cyclohexylpiperazin-1-...)
Show SMILES O=C(C1CCCCC1)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C17H30N2O/c20-17(15-7-3-1-4-8-15)19-13-11-18(12-14-19)16-9-5-2-6-10-16/h15-16H,1-14H2
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 230n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane by radioreceptor binding assay

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50299705
PNG
(4-Cyclohexyl-1-[5-(5-methoxy-1,2,3,4-tetrahydronap...)
Show SMILES COc1cccc2C(CCCCCN3CCC(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C27H43NO/c1-29-27-16-9-14-25-24(13-8-15-26(25)27)12-6-3-7-19-28-20-17-23(18-21-28)22-10-4-2-5-11-22/h9,14,16,22-24H,2-8,10-13,15,17-21H2,1H3
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 236n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine ((+)-[2S-(2R,6R,11R)]-1,2,3,4,5,6-hexahydro-6,11-dimethyl- 3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocine- 8-ol...

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50299712
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronap...)
Show SMILES COc1cccc2C(CCCN3CC[N+](C)(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C25H41N2O/c1-27(22-11-4-3-5-12-22)19-17-26(18-20-27)16-8-10-21-9-6-14-24-23(21)13-7-15-25(24)28-2/h7,13,15,21-22H,3-6,8-12,14,16-20H2,1-2H3/q+1
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 338n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine ((+)-[2S-(2R,6R,11R)]-1,2,3,4,5,6-hexahydro-6,11-dimethyl- 3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocine- 8-ol...

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50299718
PNG
(1,4-Bis[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-...)
Show SMILES COc1cccc2C(CCCN3CCN(CCCC4CCCc5c(OC)cccc45)CC3)CCCc12
Show InChI InChI=1S/C32H46N2O2/c1-35-31-17-5-13-27-25(9-3-15-29(27)31)11-7-19-33-21-23-34(24-22-33)20-8-12-26-10-4-16-30-28(26)14-6-18-32(30)36-2/h5-6,13-14,17-18,25-26H,3-4,7-12,15-16,19-24H2,1-2H3
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 470n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane by radioreceptor binding assay

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50299716
PNG
(1-Cyclohexanecarbonyl-4-[3-(5-methoxy-1,2,3,4-tetr...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C(=O)C3CCCCC3)CCCc12
Show InChI InChI=1S/C25H38N2O2/c1-29-24-14-6-12-22-20(10-5-13-23(22)24)11-7-15-26-16-18-27(19-17-26)25(28)21-8-3-2-4-9-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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 550n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane by radioreceptor binding assay

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50299720
PNG
(CHEMBL574182 | N-cyclohexylpiperazine)
Show SMILES C1CCC(CC1)N1CCNCC1
Show InChI InChI=1S/C10H20N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h10-11H,1-9H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane by radioreceptor binding assay

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50299721
PNG
(1-cyclohexylpiperazine | CHEMBL574165)
Show SMILES CC(=O)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C12H22N2O/c1-11(15)13-7-9-14(10-8-13)12-5-3-2-4-6-12/h12H,2-10H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane by radioreceptor binding assay

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50299723
PNG
(1-(4-methylpiperazin-1-yl)ethanone | CHEMBL575239)
Show SMILES CN1CCN(CC1)C(C)=O
Show InChI InChI=1S/C7H14N2O/c1-7(10)9-5-3-8(2)4-6-9/h3-6H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane by radioreceptor binding assay

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50299719
PNG
(2-[3-(5-Methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1cccc2C(CCCNCC(=O)NC3CCCCC3)CCCc12
Show InChI InChI=1S/C22H34N2O2/c1-26-21-14-6-12-19-17(8-5-13-20(19)21)9-7-15-23-16-22(25)24-18-10-3-2-4-11-18/h6,12,14,17-18,23H,2-5,7-11,13,15-16H2,1H3,(H,24,25)
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 1.23E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane by radioreceptor binding assay

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50299719
PNG
(2-[3-(5-Methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1cccc2C(CCCNCC(=O)NC3CCCCC3)CCCc12
Show InChI InChI=1S/C22H34N2O2/c1-26-21-14-6-12-19-17(8-5-13-20(19)21)9-7-15-23-16-22(25)24-18-10-3-2-4-11-18/h6,12,14,17-18,23H,2-5,7-11,13,15-16H2,1H3,(H,24,25)
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 3.91E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine ((+)-[2S-(2R,6R,11R)]-1,2,3,4,5,6-hexahydro-6,11-dimethyl- 3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocine- 8-ol...

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50299716
PNG
(1-Cyclohexanecarbonyl-4-[3-(5-methoxy-1,2,3,4-tetr...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C(=O)C3CCCCC3)CCCc12
Show InChI InChI=1S/C25H38N2O2/c1-29-24-14-6-12-22-20(10-5-13-23(22)24)11-7-15-26-16-18-27(19-17-26)25(28)21-8-3-2-4-9-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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>5.00E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine ((+)-[2S-(2R,6R,11R)]-1,2,3,4,5,6-hexahydro-6,11-dimethyl- 3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocine- 8-ol...

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50299718
PNG
(1,4-Bis[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-...)
Show SMILES COc1cccc2C(CCCN3CCN(CCCC4CCCc5c(OC)cccc45)CC3)CCCc12
Show InChI InChI=1S/C32H46N2O2/c1-35-31-17-5-13-27-25(9-3-15-29(27)31)11-7-19-33-21-23-34(24-22-33)20-8-12-26-10-4-16-30-28(26)14-6-18-32(30)36-2/h5-6,13-14,17-18,25-26H,3-4,7-12,15-16,19-24H2,1-2H3
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>5.00E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine ((+)-[2S-(2R,6R,11R)]-1,2,3,4,5,6-hexahydro-6,11-dimethyl- 3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocine- 8-ol...

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50299713
PNG
(1-Cyclohexyl-1,4-dimethyl-4-[3-(5-methoxy-1,2,3,4-...)
Show SMILES COc1cccc2C(CCC[N+]3(C)CC[N+](C)(CC3)C3CCCCC3)CCCc12 |(-8.47,-48.94,;-7.14,-48.17,;-7.14,-46.63,;-8.47,-45.86,;-8.47,-44.32,;-7.14,-43.55,;-5.81,-44.31,;-4.47,-43.53,;-4.47,-41.99,;-3.13,-41.22,;-1.8,-41.99,;-.47,-41.23,;-.48,-42.76,;.87,-42,;2.2,-41.24,;2.2,-39.7,;2.19,-38.16,;.87,-38.92,;-.47,-39.69,;3.54,-38.94,;4.87,-39.71,;6.2,-38.96,;6.22,-37.42,;4.89,-36.64,;3.54,-37.4,;-3.12,-44.32,;-3.12,-45.87,;-4.47,-46.64,;-5.81,-45.87,)|
Show InChI InChI=1S/C26H44N2O/c1-27(18-20-28(2,21-19-27)23-12-5-4-6-13-23)17-9-11-22-10-7-15-25-24(22)14-8-16-26(25)29-3/h8,14,16,22-23H,4-7,9-13,15,17-21H2,1-3H3/q+2
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>5.00E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine ((+)-[2S-(2R,6R,11R)]-1,2,3,4,5,6-hexahydro-6,11-dimethyl- 3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocine- 8-ol...

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50299723
PNG
(1-(4-methylpiperazin-1-yl)ethanone | CHEMBL575239)
Show SMILES CN1CCN(CC1)C(C)=O
Show InChI InChI=1S/C7H14N2O/c1-7(10)9-5-3-8(2)4-6-9/h3-6H2,1-2H3
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>5.00E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine ((+)-[2S-(2R,6R,11R)]-1,2,3,4,5,6-hexahydro-6,11-dimethyl- 3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocine- 8-ol...

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50299720
PNG
(CHEMBL574182 | N-cyclohexylpiperazine)
Show SMILES C1CCC(CC1)N1CCNCC1
Show InChI InChI=1S/C10H20N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h10-11H,1-9H2
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>5.00E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine ((+)-[2S-(2R,6R,11R)]-1,2,3,4,5,6-hexahydro-6,11-dimethyl- 3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocine- 8-ol...

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50299721
PNG
(1-cyclohexylpiperazine | CHEMBL574165)
Show SMILES CC(=O)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C12H22N2O/c1-11(15)13-7-9-14(10-8-13)12-5-3-2-4-6-12/h12H,2-10H2,1H3
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>5.00E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine ((+)-[2S-(2R,6R,11R)]-1,2,3,4,5,6-hexahydro-6,11-dimethyl- 3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocine- 8-ol...

J Med Chem 52: 7817-28 (2009)


Article DOI: 10.1021/jm9007505
BindingDB Entry DOI: 10.7270/Q2CJ8FDB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%