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PubMed code 22075234

Compile data set for download or QSAR
Found 35 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))		BDBM50419549
PNG
(CHEMBL1929282)
Show SMILES CC1(C)CCCN(CCCCC2CCCCc3ccccc23)C1
Show InChI InChI=1S/C22H35N/c1-22(2)15-9-17-23(18-22)16-8-7-13-20-11-4-3-10-19-12-5-6-14-21(19)20/h5-6,12,14,20H,3-4,7-11,13,15-18H2,1-2H3
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 0.140n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes without cerebellum

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50419548
PNG
(CHEMBL1929281)
Show SMILES CC1(C)CCCN(CCCC2CCCCc3ccccc23)C1
Show InChI InChI=1S/C21H33N/c1-21(2)14-8-16-22(17-21)15-7-12-19-10-4-3-9-18-11-5-6-13-20(18)19/h5-6,11,13,19H,3-4,7-10,12,14-17H2,1-2H3
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 0.200n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50359687
PNG
(CHEMBL1929279 | CHEMBL1929431)
Show SMILES CC1(C)CCCN(CCCC2CCCc3sccc23)C1
Show InChI InChI=1S/C18H29NS/c1-18(2)10-5-12-19(14-18)11-4-7-15-6-3-8-17-16(15)9-13-20-17/h9,13,15H,3-8,10-12,14H2,1-2H3
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 0.210n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes without cerebellum

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50419548
PNG
(CHEMBL1929281)
Show SMILES CC1(C)CCCN(CCCC2CCCCc3ccccc23)C1
Show InChI InChI=1S/C21H33N/c1-21(2)14-8-16-22(17-21)15-7-12-19-10-4-3-9-18-11-5-6-13-20(18)19/h5-6,11,13,19H,3-4,7-10,12,14-17H2,1-2H3
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 0.380n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes without cerebellum

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50067013
PNG
(1-[4-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...)
Show SMILES COc1cccc2C(CCCCN3CCCC(C)(C)C3)CCCc12
Show InChI InChI=1S/C22H35NO/c1-22(2)14-8-16-23(17-22)15-5-4-9-18-10-6-12-20-19(18)11-7-13-21(20)24-3/h7,11,13,18H,4-6,8-10,12,14-17H2,1-3H3
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 0.670n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50419545
PNG
(CHEMBL1929278)
Show SMILES CC1(C)CCCN(CCCc2cccc3sccc23)C1
Show InChI InChI=1S/C18H25NS/c1-18(2)10-5-12-19(14-18)11-4-7-15-6-3-8-17-16(15)9-13-20-17/h3,6,8-9,13H,4-5,7,10-12,14H2,1-2H3
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 0.900n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50419550
PNG
(CHEMBL1929287)
Show SMILES CC1(C)CCCN(CCCCC2CCCCC2)C1
Show InChI InChI=1S/C17H33N/c1-17(2)12-8-14-18(15-17)13-7-6-11-16-9-4-3-5-10-16/h16H,3-15H2,1-2H3
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 1.02n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes without cerebellum

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50419544
PNG
(CHEMBL1929277)
Show SMILES CC1(C)CCCN(CCCc2cccc3occc23)C1
Show InChI InChI=1S/C18H25NO/c1-18(2)10-5-12-19(14-18)11-4-7-15-6-3-8-17-16(15)9-13-20-17/h3,6,8-9,13H,4-5,7,10-12,14H2,1-2H3
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 1.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50419543
PNG
(CHEMBL1929275)
Show SMILES CC1(C)CCCN(CCCCC2CCc3ccccc23)C1
Show InChI InChI=1S/C20H31N/c1-20(2)13-7-15-21(16-20)14-6-5-9-18-12-11-17-8-3-4-10-19(17)18/h3-4,8,10,18H,5-7,9,11-16H2,1-2H3
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 1.54n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50419543
PNG
(CHEMBL1929275)
Show SMILES CC1(C)CCCN(CCCCC2CCc3ccccc23)C1
Show InChI InChI=1S/C20H31N/c1-20(2)13-7-15-21(16-20)14-6-5-9-18-12-11-17-8-3-4-10-19(17)18/h3-4,8,10,18H,5-7,9,11-16H2,1-2H3
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 1.75n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes without cerebellum

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50419547
PNG
(CHEMBL1929280)
Show SMILES CC1(C)CCCN(CCCCCC2CCCc3sccc23)C1
Show InChI InChI=1S/C20H33NS/c1-20(2)12-7-14-21(16-20)13-5-3-4-8-17-9-6-10-19-18(17)11-15-22-19/h11,15,17H,3-10,12-14,16H2,1-2H3
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 2.11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50067013
PNG
(1-[4-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...)
Show SMILES COc1cccc2C(CCCCN3CCCC(C)(C)C3)CCCc12
Show InChI InChI=1S/C22H35NO/c1-22(2)14-8-16-23(17-22)15-5-4-9-18-10-6-12-20-19(18)11-7-13-21(20)24-3/h7,11,13,18H,4-6,8-10,12,14-17H2,1-3H3
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 2.12n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes without cerebellum

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50359687
PNG
(CHEMBL1929279 | CHEMBL1929431)
Show SMILES CC1(C)CCCN(CCCC2CCCc3sccc23)C1
Show InChI InChI=1S/C18H29NS/c1-18(2)10-5-12-19(14-18)11-4-7-15-6-3-8-17-16(15)9-13-20-17/h9,13,15H,3-8,10-12,14H2,1-2H3
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 3.07n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
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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 3.16n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes without cerebellum

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50419550
PNG
(CHEMBL1929287)
Show SMILES CC1(C)CCCN(CCCCC2CCCCC2)C1
Show InChI InChI=1S/C17H33N/c1-17(2)12-8-14-18(15-17)13-7-6-11-16-9-4-3-5-10-16/h16H,3-15H2,1-2H3
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 3.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50419549
PNG
(CHEMBL1929282)
Show SMILES CC1(C)CCCN(CCCCC2CCCCc3ccccc23)C1
Show InChI InChI=1S/C22H35N/c1-22(2)15-9-17-23(18-22)16-8-7-13-20-11-4-3-10-19-12-5-6-14-21(19)20/h5-6,12,14,20H,3-4,7-11,13,15-18H2,1-2H3
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 7.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50419555
PNG
(CHEMBL1929430)
Show SMILES CC1(C)CCCN(CCCCN2CCCC(C)(C)C2)C1
Show InChI InChI=1S/C18H36N2/c1-17(2)9-7-13-19(15-17)11-5-6-12-20-14-8-10-18(3,4)16-20/h5-16H2,1-4H3
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 14.1n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes without cerebellum

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
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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 15n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50419556
PNG
(CHEMBL1929276)
Show SMILES CC1(C)CCCN(CCCC2CCCc3[nH]ccc23)C1
Show InChI InChI=1S/C18H30N2/c1-18(2)10-5-13-20(14-18)12-4-7-15-6-3-8-17-16(15)9-11-19-17/h9,11,15,19H,3-8,10,12-14H2,1-2H3
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 27.1n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes without cerebellum

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50419560
PNG
(CHEMBL1929286)
Show SMILES CC1(C)CCCN(CCCc2c[nH]c3ccccc23)C1
Show InChI InChI=1S/C18H26N2/c1-18(2)10-6-12-20(14-18)11-5-7-15-13-19-17-9-4-3-8-16(15)17/h3-4,8-9,13,19H,5-7,10-12,14H2,1-2H3
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 41.6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes without cerebellum

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50419558
PNG
(CHEMBL1929284)
Show SMILES CC1(C)CCCN(CCCn2ccc3ccccc23)C1
Show InChI InChI=1S/C18H26N2/c1-18(2)10-5-11-19(15-18)12-6-13-20-14-9-16-7-3-4-8-17(16)20/h3-4,7-9,14H,5-6,10-13,15H2,1-2H3
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 50.9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes without cerebellum

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50419545
PNG
(CHEMBL1929278)
Show SMILES CC1(C)CCCN(CCCc2cccc3sccc23)C1
Show InChI InChI=1S/C18H25NS/c1-18(2)10-5-12-19(14-18)11-4-7-15-6-3-8-17-16(15)9-13-20-17/h3,6,8-9,13H,4-5,7,10-12,14H2,1-2H3
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 52n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes without cerebellum

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50419544
PNG
(CHEMBL1929277)
Show SMILES CC1(C)CCCN(CCCc2cccc3occc23)C1
Show InChI InChI=1S/C18H25NO/c1-18(2)10-5-12-19(14-18)11-4-7-15-6-3-8-17-16(15)9-13-20-17/h3,6,8-9,13H,4-5,7,10-12,14H2,1-2H3
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 63.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes without cerebellum

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50419553
PNG
(CHEMBL1929428)
Show SMILES CC1(C)CCCN(CCNc2nc3ccccc3s2)C1
Show InChI InChI=1S/C16H23N3S/c1-16(2)8-5-10-19(12-16)11-9-17-15-18-13-6-3-4-7-14(13)20-15/h3-4,6-7H,5,8-12H2,1-2H3,(H,17,18)
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 115n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50419555
PNG
(CHEMBL1929430)
Show SMILES CC1(C)CCCN(CCCCN2CCCC(C)(C)C2)C1
Show InChI InChI=1S/C18H36N2/c1-17(2)9-7-13-19(15-17)11-5-6-12-20-14-8-10-18(3,4)16-20/h5-16H2,1-4H3
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 213n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50419559
PNG
(CHEMBL1929285)
Show SMILES CC1(C)CCCN(CCCn2nnc3ccccc23)C1
Show InChI InChI=1S/C16H24N4/c1-16(2)9-5-10-19(13-16)11-6-12-20-15-8-4-3-7-14(15)17-18-20/h3-4,7-8H,5-6,9-13H2,1-2H3
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 339n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes without cerebellum

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50419554
PNG
(CHEMBL1929429)
Show SMILES CC1(C)CCCN(CCNc2nccs2)C1
Show InChI InChI=1S/C12H21N3S/c1-12(2)4-3-7-15(10-12)8-5-13-11-14-6-9-16-11/h6,9H,3-5,7-8,10H2,1-2H3,(H,13,14)
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 459n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes without cerebellum

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50419553
PNG
(CHEMBL1929428)
Show SMILES CC1(C)CCCN(CCNc2nc3ccccc3s2)C1
Show InChI InChI=1S/C16H23N3S/c1-16(2)8-5-10-19(12-16)11-9-17-15-18-13-6-3-4-7-14(13)20-15/h3-4,6-7H,5,8-12H2,1-2H3,(H,17,18)
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 566n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes without cerebellum

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50419554
PNG
(CHEMBL1929429)
Show SMILES CC1(C)CCCN(CCNc2nccs2)C1
Show InChI InChI=1S/C12H21N3S/c1-12(2)4-3-7-15(10-12)8-5-13-11-14-6-9-16-11/h6,9H,3-5,7-8,10H2,1-2H3,(H,13,14)
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 1.40E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50419557
PNG
(CHEMBL1929283)
Show SMILES CC1(C)CCCN(Cc2cc3ccccc3o2)C1
Show InChI InChI=1S/C16H21NO/c1-16(2)8-5-9-17(12-16)11-14-10-13-6-3-4-7-15(13)18-14/h3-4,6-7,10H,5,8-9,11-12H2,1-2H3
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 3.69E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes without cerebellum

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50359687
PNG
(CHEMBL1929279 | CHEMBL1929431)
Show SMILES CC1(C)CCCN(CCCC2CCCc3sccc23)C1
Show InChI InChI=1S/C18H29NS/c1-18(2)10-5-12-19(14-18)11-4-7-15-6-3-8-17-16(15)9-13-20-17/h9,13,15H,3-8,10-12,14H2,1-2H3
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>3.96E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor in rat brain membranes

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50419552
PNG
(CHEMBL1929289)
Show SMILES CC1(C)CCCN(CCNc2nc3CCCC(=O)c3s2)C1
Show InChI InChI=1S/C16H25N3OS/c1-16(2)7-4-9-19(11-16)10-8-17-15-18-12-5-3-6-13(20)14(12)21-15/h3-11H2,1-2H3,(H,17,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes without cerebellum

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50419551
PNG
(CHEMBL1929288)
Show SMILES CC1(C)CCCN(CC(=O)Nc2nc3CCCC(=O)c3s2)C1
Show InChI InChI=1S/C16H23N3O2S/c1-16(2)7-4-8-19(10-16)9-13(21)18-15-17-11-5-3-6-12(20)14(11)22-15/h3-10H2,1-2H3,(H,17,18,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50419552
PNG
(CHEMBL1929289)
Show SMILES CC1(C)CCCN(CCNc2nc3CCCC(=O)c3s2)C1
Show InChI InChI=1S/C16H25N3OS/c1-16(2)7-4-9-19(11-16)10-8-17-15-18-12-5-3-6-13(20)14(12)21-15/h3-11H2,1-2H3,(H,17,18)
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Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50419551
PNG
(CHEMBL1929288)
Show SMILES CC1(C)CCCN(CC(=O)Nc2nc3CCCC(=O)c3s2)C1
Show InChI InChI=1S/C16H23N3O2S/c1-16(2)7-4-8-19(10-16)9-13(21)18-15-17-11-5-3-6-12(20)14(11)22-15/h3-10H2,1-2H3,(H,17,18,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes without cerebellum

Bioorg Med Chem 19: 7612-22 (2011)


Article DOI: 10.1016/j.bmc.2011.10.023
BindingDB Entry DOI: 10.7270/Q2RX9CHF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%