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PubMed code 19053780

Compile data set for download or QSAR
Found 76 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))		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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 1n/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 membrane without cerebellum

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		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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 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 guinea pig brain membrane without cerebellum

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
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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 2.40n/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 membrane without cerebellum

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50275323
PNG
(CHEMBL486136 | trans-1-(4-(2-methoxyphenyl)cyclohe...)
Show SMILES COc1ccccc1[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:8.8,wD:11.15,(-11.09,-34.13,;-12.43,-34.91,;-12.42,-36.44,;-13.75,-37.21,;-13.75,-38.76,;-12.42,-39.53,;-11.07,-38.76,;-11.08,-37.21,;-9.75,-36.43,;-9.76,-34.89,;-8.42,-34.12,;-7.09,-34.89,;-7.09,-36.43,;-8.41,-37.19,;-5.76,-34.12,;-4.43,-34.89,;-3.1,-34.13,;-3.09,-32.59,;-4.42,-31.82,;-5.76,-32.58,;-1.76,-31.83,;-1.76,-30.29,;-.43,-29.53,;.91,-30.3,;.9,-31.84,;-.43,-32.6,)|
Show InChI InChI=1S/C22H29N3O/c1-26-21-7-3-2-6-20(21)18-9-11-19(12-10-18)24-14-16-25(17-15-24)22-8-4-5-13-23-22/h2-8,13,18-19H,9-12,14-17H2,1H3/t18-,19-
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 2.90n/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 membrane without cerebellum

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50274839
PNG
(CHEMBL456435 | cis-4-[4-(2-Methylphenyl)cyclohexyl...)
Show SMILES Cc1ccccc1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:7.7,10.14,(14.09,-43.6,;14.1,-45.14,;12.77,-45.91,;12.77,-47.45,;14.1,-48.22,;15.44,-47.45,;15.43,-45.9,;16.76,-45.12,;18.09,-45.89,;19.42,-45.12,;19.42,-43.58,;18.09,-42.82,;16.75,-43.59,;20.75,-42.81,;22.08,-43.59,;23.41,-42.83,;23.42,-41.29,;22.09,-40.51,;20.75,-41.28,;24.75,-40.52,;24.75,-38.99,;26.08,-38.22,;27.42,-39,;27.41,-40.54,;26.08,-41.3,)|
Show InChI InChI=1S/C22H29N3/c1-18-6-2-3-7-21(18)19-9-11-20(12-10-19)24-14-16-25(17-15-24)22-8-4-5-13-23-22/h2-8,13,19-20H,9-12,14-17H2,1H3/t19-,20+
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 5n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50274948
PNG
(CHEMBL457722 | cis-4-[4-(2,6-Dimethoxyphenyl)cyclo...)
Show SMILES COc1cccc(OC)c1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:13.17,10.10,(18.58,-10.5,;17.25,-11.27,;17.25,-12.81,;15.92,-13.58,;15.92,-15.12,;17.26,-15.89,;18.59,-15.12,;19.93,-15.89,;19.93,-17.43,;18.59,-13.57,;19.92,-12.79,;21.25,-13.56,;22.58,-12.79,;22.58,-11.25,;21.24,-10.48,;19.91,-11.25,;23.91,-10.48,;25.24,-11.26,;26.57,-10.49,;26.58,-8.95,;25.24,-8.18,;23.9,-8.95,;27.91,-8.19,;27.91,-6.66,;29.24,-5.89,;30.58,-6.66,;30.57,-8.2,;29.24,-8.97,)|
Show InChI InChI=1S/C23H31N3O2/c1-27-20-6-5-7-21(28-2)23(20)18-9-11-19(12-10-18)25-14-16-26(17-15-25)22-8-3-4-13-24-22/h3-8,13,18-19H,9-12,14-17H2,1-2H3/t18-,19+
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 5n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50274971
PNG
(CHEMBL511680 | cis-4-[4-(2,6-Dimethylyphenyl)cyclo...)
Show SMILES Cc1cccc(C)c1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:11.15,8.8,(4.14,-25.41,;4.15,-26.95,;2.82,-27.72,;2.82,-29.27,;4.15,-30.04,;5.49,-29.26,;6.82,-30.03,;5.48,-27.71,;6.81,-26.93,;8.15,-27.7,;9.47,-26.93,;9.48,-25.39,;8.14,-24.62,;6.8,-25.4,;10.8,-24.62,;12.14,-25.4,;13.46,-24.63,;13.47,-23.1,;12.14,-22.32,;10.8,-23.09,;14.81,-22.33,;14.81,-20.8,;16.14,-20.03,;17.48,-20.8,;17.47,-22.34,;16.13,-23.11,)|
Show InChI InChI=1S/C23H31N3/c1-18-6-5-7-19(2)23(18)20-9-11-21(12-10-20)25-14-16-26(17-15-25)22-8-3-4-13-24-22/h3-8,13,20-21H,9-12,14-17H2,1-2H3/t20-,21+
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 6.30n/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 membrane without cerebellum

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50274970
PNG
(CHEMBL513936 | trans-4-[4-(2,6-Dimethoxyphenyl)cyc...)
Show SMILES COc1cccc(OC)c1[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:10.10,wD:13.17,(-7.45,-22.18,;-8.78,-22.95,;-8.77,-24.49,;-10.1,-25.26,;-10.1,-26.81,;-8.77,-27.58,;-7.43,-26.81,;-6.1,-27.57,;-6.1,-29.11,;-7.44,-25.26,;-6.11,-24.47,;-6.12,-22.94,;-4.78,-22.17,;-3.44,-22.94,;-3.45,-24.47,;-4.77,-25.24,;-2.12,-22.17,;-.78,-22.94,;.54,-22.18,;.55,-20.64,;-.78,-19.86,;-2.12,-20.63,;1.89,-19.87,;1.89,-18.34,;3.22,-17.57,;4.56,-18.35,;4.55,-19.89,;3.21,-20.65,)|
Show InChI InChI=1S/C23H31N3O2/c1-27-20-6-5-7-21(28-2)23(20)18-9-11-19(12-10-18)25-14-16-26(17-15-25)22-8-3-4-13-24-22/h3-8,13,18-19H,9-12,14-17H2,1-2H3/t18-,19-
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 7n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50274945
PNG
(CHEMBL457720 | trans-4-[4-(2-Chlorophenyl)cyclohex...)
Show SMILES Clc1ccccc1[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:7.7,wD:10.14,(13.43,1.57,;13.44,.03,;12.11,-.74,;12.11,-2.28,;13.44,-3.05,;14.78,-2.28,;14.77,-.73,;16.1,.05,;16.09,1.59,;17.43,2.36,;18.76,1.59,;18.76,.05,;17.44,-.72,;20.09,2.36,;21.42,1.58,;22.75,2.35,;22.76,3.89,;21.43,4.66,;20.09,3.9,;24.1,4.65,;24.1,6.19,;25.43,6.95,;26.77,6.18,;26.76,4.64,;25.42,3.88,)|
Show InChI InChI=1S/C21H26ClN3/c22-20-6-2-1-5-19(20)17-8-10-18(11-9-17)24-13-15-25(16-14-24)21-7-3-4-12-23-21/h1-7,12,17-18H,8-11,13-16H2/t17-,18-
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 7.20n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50275280
PNG
(CHEMBL487359 | cis-4-(3-methoxyphenyl)-N-(2-(pyrid...)
Show SMILES COc1cccc(c1)[C@@H]1CC[C@@H](CC1)NCCOc1ccccn1 |r,wU:8.8,11.15,(8.88,4.05,;10.22,3.28,;11.55,4.05,;11.55,5.59,;12.88,6.36,;14.22,5.6,;14.22,4.04,;12.88,3.28,;15.56,3.28,;15.56,1.74,;16.88,.97,;18.22,1.74,;18.22,3.28,;16.89,4.05,;19.55,.96,;20.88,1.73,;22.22,.96,;23.55,1.72,;24.88,.95,;26.21,1.72,;27.54,.96,;27.54,-.59,;26.2,-1.36,;24.87,-.59,)|
Show InChI InChI=1S/C20H26N2O2/c1-23-19-6-4-5-17(15-19)16-8-10-18(11-9-16)21-13-14-24-20-7-2-3-12-22-20/h2-7,12,15-16,18,21H,8-11,13-14H2,1H3/t16-,18+
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 7.70n/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 membrane without cerebellum

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50275320
PNG
(CHEMBL485729 | cis-1-(4-(2-methoxyphenyl)cyclohexy...)
Show SMILES COc1ccccc1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:11.15,8.8,(-8.26,-19.66,;-9.59,-20.44,;-9.59,-21.97,;-10.92,-22.74,;-10.92,-24.29,;-9.58,-25.06,;-8.25,-24.29,;-8.25,-22.74,;-6.92,-21.96,;-5.59,-22.72,;-4.26,-21.96,;-4.26,-20.42,;-5.6,-19.65,;-6.93,-20.42,;-2.93,-19.65,;-1.6,-20.42,;-.27,-19.66,;-.26,-18.12,;-1.6,-17.34,;-2.94,-18.11,;1.07,-17.35,;1.07,-15.82,;2.4,-15.05,;3.74,-15.83,;3.73,-17.37,;2.4,-18.13,)|
Show InChI InChI=1S/C22H29N3O/c1-26-21-7-3-2-6-20(21)18-9-11-19(12-10-18)24-14-16-25(17-15-24)22-8-4-5-13-23-22/h2-8,13,18-19H,9-12,14-17H2,1H3/t18-,19+
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 8.20n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
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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 8.40n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50274876
PNG
(CHEMBL457508 | trans-4-[4-(2-Methylphenyl)cyclohex...)
Show SMILES Cc1ccccc1[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:7.7,wD:10.14,(-9.03,.91,;-9.03,-.63,;-10.36,-1.4,;-10.36,-2.94,;-9.03,-3.71,;-7.69,-2.94,;-7.69,-1.39,;-6.37,-.61,;-6.37,.93,;-5.04,1.7,;-3.7,.93,;-3.7,-.61,;-5.03,-1.38,;-2.37,1.7,;-1.04,.92,;.29,1.69,;.3,3.23,;-1.04,4,;-2.38,3.23,;1.63,3.99,;1.63,5.53,;2.96,6.29,;4.3,5.52,;4.29,3.98,;2.96,3.21,)|
Show InChI InChI=1S/C22H29N3/c1-18-6-2-3-7-21(18)19-9-11-20(12-10-19)24-14-16-25(17-15-24)22-8-4-5-13-23-22/h2-8,13,19-20H,9-12,14-17H2,1H3/t19-,20-
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 9n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
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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>10n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50275323
PNG
(CHEMBL486136 | trans-1-(4-(2-methoxyphenyl)cyclohe...)
Show SMILES COc1ccccc1[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:8.8,wD:11.15,(-11.09,-34.13,;-12.43,-34.91,;-12.42,-36.44,;-13.75,-37.21,;-13.75,-38.76,;-12.42,-39.53,;-11.07,-38.76,;-11.08,-37.21,;-9.75,-36.43,;-9.76,-34.89,;-8.42,-34.12,;-7.09,-34.89,;-7.09,-36.43,;-8.41,-37.19,;-5.76,-34.12,;-4.43,-34.89,;-3.1,-34.13,;-3.09,-32.59,;-4.42,-31.82,;-5.76,-32.58,;-1.76,-31.83,;-1.76,-30.29,;-.43,-29.53,;.91,-30.3,;.9,-31.84,;-.43,-32.6,)|
Show InChI InChI=1S/C22H29N3O/c1-26-21-7-3-2-6-20(21)18-9-11-19(12-10-18)24-14-16-25(17-15-24)22-8-4-5-13-23-22/h2-8,13,18-19H,9-12,14-17H2,1H3/t18-,19-
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 14n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
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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 14n/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 membrane without cerebellum

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
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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 15n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
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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 16n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50274835
PNG
(CHEMBL511857 | trans-1-(4-(3-methoxyphenyl)cyclohe...)
Show SMILES COc1cccc(c1)[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:8.8,wD:11.15,(1.87,-39.15,;3.2,-38.38,;3.2,-36.84,;1.87,-36.07,;1.87,-34.53,;3.2,-33.76,;4.53,-34.52,;4.54,-36.07,;5.86,-33.74,;5.85,-32.21,;7.19,-31.43,;8.53,-32.2,;8.52,-33.74,;7.2,-34.51,;9.85,-31.43,;11.19,-32.21,;12.52,-31.44,;12.52,-29.9,;11.19,-29.13,;9.85,-29.9,;13.86,-29.14,;13.86,-27.61,;15.19,-26.84,;16.53,-27.61,;16.52,-29.15,;15.19,-29.92,)|
Show InChI InChI=1S/C22H29N3O/c1-26-21-6-4-5-19(17-21)18-8-10-20(11-9-18)24-13-15-25(16-14-24)22-7-2-3-12-23-22/h2-7,12,17-18,20H,8-11,13-16H2,1H3/t18-,20-
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 16n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50274838
PNG
(CHEMBL456437 | trans-4-(4-Phenylcyclohexyl)-1-(2-p...)
Show SMILES C1C[C@@H](CC[C@H]1N1CCN(CC1)c1ccccn1)c1ccccc1 |r,wU:2.20,wD:5.6,(4.97,-44.46,;3.64,-45.24,;3.65,-46.77,;4.98,-47.54,;6.31,-46.77,;6.31,-45.23,;7.64,-44.46,;8.97,-45.24,;10.3,-44.47,;10.31,-42.94,;8.97,-42.16,;7.63,-42.93,;11.64,-42.17,;11.64,-40.64,;12.97,-39.87,;14.31,-40.64,;14.3,-42.19,;12.97,-42.95,;2.32,-47.55,;.98,-46.79,;-.34,-47.56,;-.35,-49.1,;.99,-49.87,;2.32,-49.1,)|
Show InChI InChI=1S/C21H27N3/c1-2-6-18(7-3-1)19-9-11-20(12-10-19)23-14-16-24(17-15-23)21-8-4-5-13-22-21/h1-8,13,19-20H,9-12,14-17H2/t19-,20-
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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](-)-(S)-emopamil from EBP in guinea pig liver membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50275281
PNG
(CHEMBL487360 | cis-1-(4-(3-methoxyphenyl)cyclohexy...)
Show SMILES COc1cccc(c1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1cccc2ccccc12 |r,wU:11.15,8.8,(8.56,-15.38,;9.89,-14.61,;9.89,-13.07,;8.56,-12.3,;8.56,-10.76,;9.89,-9.99,;11.22,-10.75,;11.23,-12.3,;12.56,-9.97,;13.89,-10.74,;15.22,-9.97,;15.22,-8.43,;13.88,-7.66,;12.55,-8.43,;16.55,-7.66,;17.88,-8.43,;19.21,-7.67,;19.22,-6.13,;17.89,-5.35,;16.54,-6.12,;20.56,-5.36,;20.55,-3.83,;21.88,-3.06,;23.22,-3.84,;23.22,-5.38,;24.54,-6.14,;24.54,-7.68,;23.21,-8.45,;21.88,-7.68,;21.88,-6.14,)|
Show InChI InChI=1S/C27H32N2O/c1-30-25-9-4-8-23(20-25)21-12-14-24(15-13-21)28-16-18-29(19-17-28)27-11-5-7-22-6-2-3-10-26(22)27/h2-11,20-21,24H,12-19H2,1H3/t21-,24+
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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](-)-(S)-emopamil from EBP in guinea pig liver membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50275280
PNG
(CHEMBL487359 | cis-4-(3-methoxyphenyl)-N-(2-(pyrid...)
Show SMILES COc1cccc(c1)[C@@H]1CC[C@@H](CC1)NCCOc1ccccn1 |r,wU:8.8,11.15,(8.88,4.05,;10.22,3.28,;11.55,4.05,;11.55,5.59,;12.88,6.36,;14.22,5.6,;14.22,4.04,;12.88,3.28,;15.56,3.28,;15.56,1.74,;16.88,.97,;18.22,1.74,;18.22,3.28,;16.89,4.05,;19.55,.96,;20.88,1.73,;22.22,.96,;23.55,1.72,;24.88,.95,;26.21,1.72,;27.54,.96,;27.54,-.59,;26.2,-1.36,;24.87,-.59,)|
Show InChI InChI=1S/C20H26N2O2/c1-23-19-6-4-5-17(15-19)16-8-10-18(11-9-16)21-13-14-24-20-7-2-3-12-22-20/h2-7,12,15-16,18,21H,8-11,13-14H2,1H3/t16-,18+
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 24n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50274835
PNG
(CHEMBL511857 | trans-1-(4-(3-methoxyphenyl)cyclohe...)
Show SMILES COc1cccc(c1)[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:8.8,wD:11.15,(1.87,-39.15,;3.2,-38.38,;3.2,-36.84,;1.87,-36.07,;1.87,-34.53,;3.2,-33.76,;4.53,-34.52,;4.54,-36.07,;5.86,-33.74,;5.85,-32.21,;7.19,-31.43,;8.53,-32.2,;8.52,-33.74,;7.2,-34.51,;9.85,-31.43,;11.19,-32.21,;12.52,-31.44,;12.52,-29.9,;11.19,-29.13,;9.85,-29.9,;13.86,-29.14,;13.86,-27.61,;15.19,-26.84,;16.53,-27.61,;16.52,-29.15,;15.19,-29.92,)|
Show InChI InChI=1S/C22H29N3O/c1-26-21-6-4-5-19(17-21)18-8-10-20(11-9-18)24-13-15-25(16-14-24)22-7-2-3-12-23-22/h2-7,12,17-18,20H,8-11,13-16H2,1H3/t18-,20-
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 25n/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 membrane without cerebellum

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50274876
PNG
(CHEMBL457508 | trans-4-[4-(2-Methylphenyl)cyclohex...)
Show SMILES Cc1ccccc1[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:7.7,wD:10.14,(-9.03,.91,;-9.03,-.63,;-10.36,-1.4,;-10.36,-2.94,;-9.03,-3.71,;-7.69,-2.94,;-7.69,-1.39,;-6.37,-.61,;-6.37,.93,;-5.04,1.7,;-3.7,.93,;-3.7,-.61,;-5.03,-1.38,;-2.37,1.7,;-1.04,.92,;.29,1.69,;.3,3.23,;-1.04,4,;-2.38,3.23,;1.63,3.99,;1.63,5.53,;2.96,6.29,;4.3,5.52,;4.29,3.98,;2.96,3.21,)|
Show InChI InChI=1S/C22H29N3/c1-18-6-2-3-7-21(18)19-9-11-20(12-10-19)24-14-16-25(17-15-24)22-8-4-5-13-23-22/h2-8,13,19-20H,9-12,14-17H2,1H3/t19-,20-
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 31n/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 membrane without cerebellum

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50107253
PNG
(1-((6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)me...)
Show SMILES COc1ccc2CC(CN3CCN(CC3)c3ccccn3)CCc2c1
Show InChI InChI=1S/C21H27N3O/c1-25-20-8-7-18-14-17(5-6-19(18)15-20)16-23-10-12-24(13-11-23)21-4-2-3-9-22-21/h2-4,7-9,15,17H,5-6,10-14,16H2,1H3
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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](-)-(S)-emopamil from EBP in guinea pig liver membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50275322
PNG
(CHEMBL485929 | cis-1-(4-(4-methoxyphenyl)cyclohexy...)
Show SMILES COc1ccc(cc1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:11.15,8.8,(8.9,-26.66,;10.23,-27.43,;11.56,-26.67,;11.56,-25.12,;12.89,-24.35,;14.23,-25.12,;14.23,-26.67,;12.9,-27.44,;15.56,-24.33,;16.89,-25.1,;18.22,-24.33,;18.22,-22.8,;16.88,-22.03,;15.55,-22.8,;19.55,-22.03,;20.88,-22.8,;22.21,-22.04,;22.22,-20.5,;20.88,-19.72,;19.54,-20.49,;23.55,-19.73,;23.55,-18.2,;24.88,-17.43,;26.22,-18.21,;26.21,-19.75,;24.88,-20.51,)|
Show InChI InChI=1S/C22H29N3O/c1-26-21-11-7-19(8-12-21)18-5-9-20(10-6-18)24-14-16-25(17-15-24)22-4-2-3-13-23-22/h2-4,7-8,11-13,18,20H,5-6,9-10,14-17H2,1H3/t18-,20+
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 33n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50274971
PNG
(CHEMBL511680 | cis-4-[4-(2,6-Dimethylyphenyl)cyclo...)
Show SMILES Cc1cccc(C)c1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:11.15,8.8,(4.14,-25.41,;4.15,-26.95,;2.82,-27.72,;2.82,-29.27,;4.15,-30.04,;5.49,-29.26,;6.82,-30.03,;5.48,-27.71,;6.81,-26.93,;8.15,-27.7,;9.47,-26.93,;9.48,-25.39,;8.14,-24.62,;6.8,-25.4,;10.8,-24.62,;12.14,-25.4,;13.46,-24.63,;13.47,-23.1,;12.14,-22.32,;10.8,-23.09,;14.81,-22.33,;14.81,-20.8,;16.14,-20.03,;17.48,-20.8,;17.47,-22.34,;16.13,-23.11,)|
Show InChI InChI=1S/C23H31N3/c1-18-6-5-7-19(2)23(18)20-9-11-21(12-10-20)25-14-16-26(17-15-25)22-8-3-4-13-24-22/h3-8,13,20-21H,9-12,14-17H2,1-2H3/t20-,21+
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 33n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50275321
PNG
(CHEMBL521350 | cis-1-(4-(3-methoxyphenyl)cyclohexy...)
Show SMILES COc1cccc(c1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:8.8,11.15,(.19,-28.28,;1.52,-27.51,;1.52,-25.97,;.19,-25.2,;.19,-23.65,;1.52,-22.88,;2.85,-23.65,;2.86,-25.2,;4.18,-22.87,;5.52,-23.63,;6.85,-22.87,;6.85,-21.33,;5.51,-20.56,;4.17,-21.33,;8.17,-20.56,;9.51,-21.33,;10.84,-20.57,;10.84,-19.03,;9.51,-18.25,;8.17,-19.02,;12.18,-18.26,;12.18,-16.73,;13.51,-15.96,;14.85,-16.74,;14.84,-18.28,;13.51,-19.04,)|
Show InChI InChI=1S/C22H29N3O/c1-26-21-6-4-5-19(17-21)18-8-10-20(11-9-18)24-13-15-25(16-14-24)22-7-2-3-12-23-22/h2-7,12,17-18,20H,8-11,13-16H2,1H3/t18-,20+
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 45n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50274972
PNG
(4-[1-(2,6-Dimethylphenyl)-3-cyclohexen-4-yl]-1-(2-...)
Show SMILES Cc1cccc(C)c1C1=CCC(CC1)N1CCN(CC1)c1ccccn1 |t:9|
Show InChI InChI=1S/C23H29N3/c1-18-6-5-7-19(2)23(18)20-9-11-21(12-10-20)25-14-16-26(17-15-25)22-8-3-4-13-24-22/h3-9,13,21H,10-12,14-17H2,1-2H3
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 47n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50274837
PNG
(CHEMBL458553 | cis-4-(4-Phenylcyclohexyl)-1-(2-pyr...)
Show SMILES C1C[C@H](CC[C@H]1N1CCN(CC1)c1ccccn1)c1ccccc1 |r,wU:2.20,5.6,(-4.24,-47.15,;-5.56,-47.92,;-6.9,-47.15,;-6.91,-45.62,;-5.57,-44.85,;-4.24,-45.61,;-2.91,-44.84,;-1.58,-45.62,;-.25,-44.86,;-.24,-43.32,;-1.57,-42.54,;-2.91,-43.31,;1.1,-42.55,;1.09,-41.02,;2.42,-40.25,;3.76,-41.03,;3.76,-42.57,;2.42,-43.33,;-8.23,-47.93,;-9.56,-47.17,;-10.89,-47.94,;-10.89,-49.48,;-9.56,-50.25,;-8.22,-49.48,)|
Show InChI InChI=1S/C21H27N3/c1-2-6-18(7-3-1)19-9-11-20(12-10-19)23-14-16-24(17-15-23)21-8-4-5-13-22-21/h1-8,13,19-20H,9-12,14-17H2/t19-,20+
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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](-)-(S)-emopamil from EBP in guinea pig liver membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50274836
PNG
(CHEMBL458361 | trans-1-(4-(4-methoxyphenyl)cyclohe...)
Show SMILES COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:8.8,wD:11.15,(12.89,-36.27,;14.22,-37.04,;15.56,-36.27,;15.56,-34.73,;16.89,-33.96,;18.22,-34.72,;18.23,-36.27,;16.89,-37.04,;19.55,-33.94,;19.54,-32.41,;20.88,-31.63,;22.22,-32.4,;22.21,-33.94,;20.89,-34.71,;23.54,-31.63,;24.88,-32.41,;26.2,-31.64,;26.21,-30.1,;24.88,-29.33,;23.54,-30.1,;27.55,-29.34,;27.55,-27.81,;28.88,-27.04,;30.21,-27.81,;30.21,-29.35,;28.87,-30.12,)|
Show InChI InChI=1S/C22H29N3O/c1-26-21-11-7-19(8-12-21)18-5-9-20(10-6-18)24-14-16-25(17-15-24)22-4-2-3-13-23-22/h2-4,7-8,11-13,18,20H,5-6,9-10,14-17H2,1H3/t18-,20-
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 72n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50275281
PNG
(CHEMBL487360 | cis-1-(4-(3-methoxyphenyl)cyclohexy...)
Show SMILES COc1cccc(c1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1cccc2ccccc12 |r,wU:11.15,8.8,(8.56,-15.38,;9.89,-14.61,;9.89,-13.07,;8.56,-12.3,;8.56,-10.76,;9.89,-9.99,;11.22,-10.75,;11.23,-12.3,;12.56,-9.97,;13.89,-10.74,;15.22,-9.97,;15.22,-8.43,;13.88,-7.66,;12.55,-8.43,;16.55,-7.66,;17.88,-8.43,;19.21,-7.67,;19.22,-6.13,;17.89,-5.35,;16.54,-6.12,;20.56,-5.36,;20.55,-3.83,;21.88,-3.06,;23.22,-3.84,;23.22,-5.38,;24.54,-6.14,;24.54,-7.68,;23.21,-8.45,;21.88,-7.68,;21.88,-6.14,)|
Show InChI InChI=1S/C27H32N2O/c1-30-25-9-4-8-23(20-25)21-12-14-24(15-13-21)28-16-18-29(19-17-28)27-11-5-7-22-6-2-3-10-26(22)27/h2-11,20-21,24H,12-19H2,1H3/t21-,24+
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 74n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A receptor in rat hippocampal membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50274944
PNG
(CHEMBL458802 | cis-4-[4-(2-Chlorophenyl)cyclohexyl...)
Show SMILES Clc1ccccc1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:7.7,10.14,(2.07,.71,;2.07,-.83,;.74,-1.6,;.74,-3.14,;2.07,-3.92,;3.41,-3.14,;3.41,-1.59,;4.74,-.81,;6.07,-1.58,;7.4,-.81,;7.4,.73,;6.06,1.5,;4.73,.72,;8.73,1.5,;10.06,.72,;11.39,1.48,;11.4,3.02,;10.06,3.8,;8.72,3.03,;12.73,3.79,;12.73,5.32,;14.06,6.09,;15.4,5.32,;15.39,3.77,;14.06,3.01,)|
Show InChI InChI=1S/C21H26ClN3/c22-20-6-2-1-5-19(20)17-8-10-18(11-9-17)24-13-15-25(16-14-24)21-7-3-4-12-23-21/h1-7,12,17-18H,8-11,13-16H2/t17-,18+
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 85n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		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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 89n/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 membrane without cerebellum

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50275322
PNG
(CHEMBL485929 | cis-1-(4-(4-methoxyphenyl)cyclohexy...)
Show SMILES COc1ccc(cc1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:11.15,8.8,(8.9,-26.66,;10.23,-27.43,;11.56,-26.67,;11.56,-25.12,;12.89,-24.35,;14.23,-25.12,;14.23,-26.67,;12.9,-27.44,;15.56,-24.33,;16.89,-25.1,;18.22,-24.33,;18.22,-22.8,;16.88,-22.03,;15.55,-22.8,;19.55,-22.03,;20.88,-22.8,;22.21,-22.04,;22.22,-20.5,;20.88,-19.72,;19.54,-20.49,;23.55,-19.73,;23.55,-18.2,;24.88,-17.43,;26.22,-18.21,;26.21,-19.75,;24.88,-20.51,)|
Show InChI InChI=1S/C22H29N3O/c1-26-21-11-7-19(8-12-21)18-5-9-20(10-6-18)24-14-16-25(17-15-24)22-4-2-3-13-23-22/h2-4,7-8,11-13,18,20H,5-6,9-10,14-17H2,1H3/t18-,20+
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 94n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A receptor in rat hippocampal membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50274838
PNG
(CHEMBL456437 | trans-4-(4-Phenylcyclohexyl)-1-(2-p...)
Show SMILES C1C[C@@H](CC[C@H]1N1CCN(CC1)c1ccccn1)c1ccccc1 |r,wU:2.20,wD:5.6,(4.97,-44.46,;3.64,-45.24,;3.65,-46.77,;4.98,-47.54,;6.31,-46.77,;6.31,-45.23,;7.64,-44.46,;8.97,-45.24,;10.3,-44.47,;10.31,-42.94,;8.97,-42.16,;7.63,-42.93,;11.64,-42.17,;11.64,-40.64,;12.97,-39.87,;14.31,-40.64,;14.3,-42.19,;12.97,-42.95,;2.32,-47.55,;.98,-46.79,;-.34,-47.56,;-.35,-49.1,;.99,-49.87,;2.32,-49.1,)|
Show InChI InChI=1S/C21H27N3/c1-2-6-18(7-3-1)19-9-11-20(12-10-19)23-14-16-24(17-15-23)21-8-4-5-13-22-21/h1-8,13,19-20H,9-12,14-17H2/t19-,20-
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 104n/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 membrane without cerebellum

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50274947
PNG
(CHEMBL457721 | trans-4-[4-(2,6-Difluorophenyl)cycl...)
Show SMILES Fc1cccc(F)c1[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:8.8,wD:11.15,(3.19,-11.41,;3.2,-12.95,;1.87,-13.72,;1.87,-15.26,;3.2,-16.03,;4.54,-15.26,;5.87,-16.03,;4.53,-13.71,;5.86,-12.93,;5.85,-11.39,;7.19,-10.62,;8.53,-11.39,;8.52,-12.93,;7.2,-13.7,;9.85,-10.62,;11.19,-11.4,;12.52,-10.63,;12.52,-9.09,;11.19,-8.32,;9.85,-9.09,;13.86,-8.33,;13.86,-6.8,;15.19,-6.03,;16.53,-6.8,;16.52,-8.34,;15.18,-9.11,)|
Show InChI InChI=1S/C21H25F2N3/c22-18-4-3-5-19(23)21(18)16-7-9-17(10-8-16)25-12-14-26(15-13-25)20-6-1-2-11-24-20/h1-6,11,16-17H,7-10,12-15H2/t16-,17-
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 106n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50274946
PNG
(CHEMBL511507 | cis-4-[4-(2,6-Difluorophenyl)cycloh...)
Show SMILES Fc1cccc(F)c1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:11.15,8.8,(-9.21,-11,;-9.21,-12.54,;-10.54,-13.31,;-10.54,-14.85,;-9.2,-15.62,;-7.87,-14.85,;-6.53,-15.62,;-7.87,-13.3,;-6.54,-12.52,;-5.21,-13.29,;-3.88,-12.52,;-3.88,-10.98,;-5.22,-10.21,;-6.55,-10.98,;-2.55,-10.21,;-1.22,-10.99,;.11,-10.22,;.12,-8.68,;-1.22,-7.91,;-2.56,-8.67,;1.45,-7.92,;1.45,-6.38,;2.78,-5.62,;4.12,-6.39,;4.11,-7.93,;2.78,-8.69,)|
Show InChI InChI=1S/C21H25F2N3/c22-18-4-3-5-19(23)21(18)16-7-9-17(10-8-16)25-12-14-26(15-13-25)20-6-1-2-11-24-20/h1-6,11,16-17H,7-10,12-15H2/t16-,17+
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 140n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50274972
PNG
(4-[1-(2,6-Dimethylphenyl)-3-cyclohexen-4-yl]-1-(2-...)
Show SMILES Cc1cccc(C)c1C1=CCC(CC1)N1CCN(CC1)c1ccccn1 |t:9|
Show InChI InChI=1S/C23H29N3/c1-18-6-5-7-19(2)23(18)20-9-11-21(12-10-20)25-14-16-26(17-15-25)22-8-3-4-13-24-22/h3-9,13,21H,10-12,14-17H2,1-2H3
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 177n/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 membrane without cerebellum

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50275321
PNG
(CHEMBL521350 | cis-1-(4-(3-methoxyphenyl)cyclohexy...)
Show SMILES COc1cccc(c1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:8.8,11.15,(.19,-28.28,;1.52,-27.51,;1.52,-25.97,;.19,-25.2,;.19,-23.65,;1.52,-22.88,;2.85,-23.65,;2.86,-25.2,;4.18,-22.87,;5.52,-23.63,;6.85,-22.87,;6.85,-21.33,;5.51,-20.56,;4.17,-21.33,;8.17,-20.56,;9.51,-21.33,;10.84,-20.57,;10.84,-19.03,;9.51,-18.25,;8.17,-19.02,;12.18,-18.26,;12.18,-16.73,;13.51,-15.96,;14.85,-16.74,;14.84,-18.28,;13.51,-19.04,)|
Show InChI InChI=1S/C22H29N3O/c1-26-21-6-4-5-19(17-21)18-8-10-20(11-9-18)24-13-15-25(16-14-24)22-7-2-3-12-23-22/h2-7,12,17-18,20H,8-11,13-16H2,1H3/t18-,20+
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 178n/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 membrane without cerebellum

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50275319
PNG
(CHEMBL485728 | cis-1-(4-(3-methoxyphenyl)cyclohexy...)
Show SMILES COc1cccc(c1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1 |r,wU:8.8,11.15,(21.08,-16.94,;22.41,-16.17,;22.41,-14.63,;21.08,-13.86,;21.08,-12.32,;22.41,-11.55,;23.74,-12.31,;23.75,-13.86,;25.07,-11.53,;26.41,-12.3,;27.73,-11.53,;27.73,-9.99,;26.4,-9.22,;25.06,-10,;29.06,-9.22,;30.39,-10,;31.72,-9.23,;31.73,-7.69,;30.4,-6.92,;29.06,-7.69,;33.07,-6.93,;33.06,-5.4,;34.39,-4.63,;35.73,-5.4,;35.73,-6.94,;34.39,-7.71,)|
Show InChI InChI=1S/C23H30N2O/c1-26-23-9-5-6-20(18-23)19-10-12-22(13-11-19)25-16-14-24(15-17-25)21-7-3-2-4-8-21/h2-9,18-19,22H,10-17H2,1H3/t19-,22+
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 183n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A receptor in rat hippocampal membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50274945
PNG
(CHEMBL457720 | trans-4-[4-(2-Chlorophenyl)cyclohex...)
Show SMILES Clc1ccccc1[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:7.7,wD:10.14,(13.43,1.57,;13.44,.03,;12.11,-.74,;12.11,-2.28,;13.44,-3.05,;14.78,-2.28,;14.77,-.73,;16.1,.05,;16.09,1.59,;17.43,2.36,;18.76,1.59,;18.76,.05,;17.44,-.72,;20.09,2.36,;21.42,1.58,;22.75,2.35,;22.76,3.89,;21.43,4.66,;20.09,3.9,;24.1,4.65,;24.1,6.19,;25.43,6.95,;26.77,6.18,;26.76,4.64,;25.42,3.88,)|
Show InChI InChI=1S/C21H26ClN3/c22-20-6-2-1-5-19(20)17-8-10-18(11-9-17)24-13-15-25(16-14-24)21-7-3-4-12-23-21/h1-7,12,17-18H,8-11,13-16H2/t17-,18-
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 190n/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 membrane without cerebellum

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50274947
PNG
(CHEMBL457721 | trans-4-[4-(2,6-Difluorophenyl)cycl...)
Show SMILES Fc1cccc(F)c1[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:8.8,wD:11.15,(3.19,-11.41,;3.2,-12.95,;1.87,-13.72,;1.87,-15.26,;3.2,-16.03,;4.54,-15.26,;5.87,-16.03,;4.53,-13.71,;5.86,-12.93,;5.85,-11.39,;7.19,-10.62,;8.53,-11.39,;8.52,-12.93,;7.2,-13.7,;9.85,-10.62,;11.19,-11.4,;12.52,-10.63,;12.52,-9.09,;11.19,-8.32,;9.85,-9.09,;13.86,-8.33,;13.86,-6.8,;15.19,-6.03,;16.53,-6.8,;16.52,-8.34,;15.18,-9.11,)|
Show InChI InChI=1S/C21H25F2N3/c22-18-4-3-5-19(23)21(18)16-7-9-17(10-8-16)25-12-14-26(15-13-25)20-6-1-2-11-24-20/h1-6,11,16-17H,7-10,12-15H2/t16-,17-
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 190n/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 membrane without cerebellum

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50275322
PNG
(CHEMBL485929 | cis-1-(4-(4-methoxyphenyl)cyclohexy...)
Show SMILES COc1ccc(cc1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:11.15,8.8,(8.9,-26.66,;10.23,-27.43,;11.56,-26.67,;11.56,-25.12,;12.89,-24.35,;14.23,-25.12,;14.23,-26.67,;12.9,-27.44,;15.56,-24.33,;16.89,-25.1,;18.22,-24.33,;18.22,-22.8,;16.88,-22.03,;15.55,-22.8,;19.55,-22.03,;20.88,-22.8,;22.21,-22.04,;22.22,-20.5,;20.88,-19.72,;19.54,-20.49,;23.55,-19.73,;23.55,-18.2,;24.88,-17.43,;26.22,-18.21,;26.21,-19.75,;24.88,-20.51,)|
Show InChI InChI=1S/C22H29N3O/c1-26-21-11-7-19(8-12-21)18-5-9-20(10-6-18)24-14-16-25(17-15-24)22-4-2-3-13-23-22/h2-4,7-8,11-13,18,20H,5-6,9-10,14-17H2,1H3/t18-,20+
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 194n/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 membrane without cerebellum

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50274970
PNG
(CHEMBL513936 | trans-4-[4-(2,6-Dimethoxyphenyl)cyc...)
Show SMILES COc1cccc(OC)c1[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:10.10,wD:13.17,(-7.45,-22.18,;-8.78,-22.95,;-8.77,-24.49,;-10.1,-25.26,;-10.1,-26.81,;-8.77,-27.58,;-7.43,-26.81,;-6.1,-27.57,;-6.1,-29.11,;-7.44,-25.26,;-6.11,-24.47,;-6.12,-22.94,;-4.78,-22.17,;-3.44,-22.94,;-3.45,-24.47,;-4.77,-25.24,;-2.12,-22.17,;-.78,-22.94,;.54,-22.18,;.55,-20.64,;-.78,-19.86,;-2.12,-20.63,;1.89,-19.87,;1.89,-18.34,;3.22,-17.57,;4.56,-18.35,;4.55,-19.89,;3.21,-20.65,)|
Show InChI InChI=1S/C23H31N3O2/c1-27-20-6-5-7-21(28-2)23(20)18-9-11-19(12-10-18)25-14-16-26(17-15-25)22-8-3-4-13-24-22/h3-8,13,18-19H,9-12,14-17H2,1-2H3/t18-,19-
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 215n/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 membrane without cerebellum

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50107247
PNG
(1-(4-(3-methoxyphenyl)cyclohex-3-enyl)-4-(pyridin-...)
Show SMILES COc1cccc(c1)C1=CCC(CC1)N1CCN(CC1)c1ccccn1 |t:9|
Show InChI InChI=1S/C22H27N3O/c1-26-21-6-4-5-19(17-21)18-8-10-20(11-9-18)24-13-15-25(16-14-24)22-7-2-3-12-23-22/h2-8,12,17,20H,9-11,13-16H2,1H3
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 220n/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 membrane without cerebellum

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50275281
PNG
(CHEMBL487360 | cis-1-(4-(3-methoxyphenyl)cyclohexy...)
Show SMILES COc1cccc(c1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1cccc2ccccc12 |r,wU:11.15,8.8,(8.56,-15.38,;9.89,-14.61,;9.89,-13.07,;8.56,-12.3,;8.56,-10.76,;9.89,-9.99,;11.22,-10.75,;11.23,-12.3,;12.56,-9.97,;13.89,-10.74,;15.22,-9.97,;15.22,-8.43,;13.88,-7.66,;12.55,-8.43,;16.55,-7.66,;17.88,-8.43,;19.21,-7.67,;19.22,-6.13,;17.89,-5.35,;16.54,-6.12,;20.56,-5.36,;20.55,-3.83,;21.88,-3.06,;23.22,-3.84,;23.22,-5.38,;24.54,-6.14,;24.54,-7.68,;23.21,-8.45,;21.88,-7.68,;21.88,-6.14,)|
Show InChI InChI=1S/C27H32N2O/c1-30-25-9-4-8-23(20-25)21-12-14-24(15-13-21)28-16-18-29(19-17-28)27-11-5-7-22-6-2-3-10-26(22)27/h2-11,20-21,24H,12-19H2,1H3/t21-,24+
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 240n/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 membrane without cerebellum

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50107251
PNG
(1-(4-(3-methoxyphenyl)cyclohex-3-enyl)-4-phenylpip...)
Show SMILES COc1cccc(c1)C1=CCC(CC1)N1CCN(CC1)c1ccccc1 |t:9|
Show InChI InChI=1S/C23H28N2O/c1-26-23-9-5-6-20(18-23)19-10-12-22(13-11-19)25-16-14-24(15-17-25)21-7-3-2-4-8-21/h2-10,18,22H,11-17H2,1H3
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 257n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A receptor in rat hippocampal membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50274836
PNG
(CHEMBL458361 | trans-1-(4-(4-methoxyphenyl)cyclohe...)
Show SMILES COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:8.8,wD:11.15,(12.89,-36.27,;14.22,-37.04,;15.56,-36.27,;15.56,-34.73,;16.89,-33.96,;18.22,-34.72,;18.23,-36.27,;16.89,-37.04,;19.55,-33.94,;19.54,-32.41,;20.88,-31.63,;22.22,-32.4,;22.21,-33.94,;20.89,-34.71,;23.54,-31.63,;24.88,-32.41,;26.2,-31.64,;26.21,-30.1,;24.88,-29.33,;23.54,-30.1,;27.55,-29.34,;27.55,-27.81,;28.88,-27.04,;30.21,-27.81,;30.21,-29.35,;28.87,-30.12,)|
Show InChI InChI=1S/C22H29N3O/c1-26-21-11-7-19(8-12-21)18-5-9-20(10-6-18)24-14-16-25(17-15-24)22-4-2-3-13-23-22/h2-4,7-8,11-13,18,20H,5-6,9-10,14-17H2,1H3/t18-,20-
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 291n/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 membrane without cerebellum

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50109389
PNG
(1-Phenethyl-piperidine | 1-phenethylpiperidine | C...)
Show SMILES C(Cc1ccccc1)N1CCCCC1
Show InChI InChI=1S/C13H19N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14/h1,3-4,7-8H,2,5-6,9-12H2
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 309n/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 membrane without cerebellum

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50107253
PNG
(1-((6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)me...)
Show SMILES COc1ccc2CC(CN3CCN(CC3)c3ccccn3)CCc2c1
Show InChI InChI=1S/C21H27N3O/c1-25-20-8-7-18-14-17(5-6-19(18)15-20)16-23-10-12-24(13-11-23)21-4-2-3-9-22-21/h2-4,7-9,15,17H,5-6,10-14,16H2,1H3
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 358n/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 membrane without cerebellum

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50275320
PNG
(CHEMBL485729 | cis-1-(4-(2-methoxyphenyl)cyclohexy...)
Show SMILES COc1ccccc1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:11.15,8.8,(-8.26,-19.66,;-9.59,-20.44,;-9.59,-21.97,;-10.92,-22.74,;-10.92,-24.29,;-9.58,-25.06,;-8.25,-24.29,;-8.25,-22.74,;-6.92,-21.96,;-5.59,-22.72,;-4.26,-21.96,;-4.26,-20.42,;-5.6,-19.65,;-6.93,-20.42,;-2.93,-19.65,;-1.6,-20.42,;-.27,-19.66,;-.26,-18.12,;-1.6,-17.34,;-2.94,-18.11,;1.07,-17.35,;1.07,-15.82,;2.4,-15.05,;3.74,-15.83,;3.73,-17.37,;2.4,-18.13,)|
Show InChI InChI=1S/C22H29N3O/c1-26-21-7-3-2-6-20(21)18-9-11-19(12-10-18)24-14-16-25(17-15-24)22-8-4-5-13-23-22/h2-8,13,18-19H,9-12,14-17H2,1H3/t18-,19+
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 369n/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 membrane without cerebellum

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50275280
PNG
(CHEMBL487359 | cis-4-(3-methoxyphenyl)-N-(2-(pyrid...)
Show SMILES COc1cccc(c1)[C@@H]1CC[C@@H](CC1)NCCOc1ccccn1 |r,wU:8.8,11.15,(8.88,4.05,;10.22,3.28,;11.55,4.05,;11.55,5.59,;12.88,6.36,;14.22,5.6,;14.22,4.04,;12.88,3.28,;15.56,3.28,;15.56,1.74,;16.88,.97,;18.22,1.74,;18.22,3.28,;16.89,4.05,;19.55,.96,;20.88,1.73,;22.22,.96,;23.55,1.72,;24.88,.95,;26.21,1.72,;27.54,.96,;27.54,-.59,;26.2,-1.36,;24.87,-.59,)|
Show InChI InChI=1S/C20H26N2O2/c1-23-19-6-4-5-17(15-19)16-8-10-18(11-9-16)21-13-14-24-20-7-2-3-12-22-20/h2-7,12,15-16,18,21H,8-11,13-14H2,1H3/t16-,18+
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 373n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A receptor in rat hippocampal membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50107251
PNG
(1-(4-(3-methoxyphenyl)cyclohex-3-enyl)-4-phenylpip...)
Show SMILES COc1cccc(c1)C1=CCC(CC1)N1CCN(CC1)c1ccccc1 |t:9|
Show InChI InChI=1S/C23H28N2O/c1-26-23-9-5-6-20(18-23)19-10-12-22(13-11-19)25-16-14-24(15-17-25)21-7-3-2-4-8-21/h2-10,18,22H,11-17H2,1H3
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 460n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50275320
PNG
(CHEMBL485729 | cis-1-(4-(2-methoxyphenyl)cyclohexy...)
Show SMILES COc1ccccc1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:11.15,8.8,(-8.26,-19.66,;-9.59,-20.44,;-9.59,-21.97,;-10.92,-22.74,;-10.92,-24.29,;-9.58,-25.06,;-8.25,-24.29,;-8.25,-22.74,;-6.92,-21.96,;-5.59,-22.72,;-4.26,-21.96,;-4.26,-20.42,;-5.6,-19.65,;-6.93,-20.42,;-2.93,-19.65,;-1.6,-20.42,;-.27,-19.66,;-.26,-18.12,;-1.6,-17.34,;-2.94,-18.11,;1.07,-17.35,;1.07,-15.82,;2.4,-15.05,;3.74,-15.83,;3.73,-17.37,;2.4,-18.13,)|
Show InChI InChI=1S/C22H29N3O/c1-26-21-7-3-2-6-20(21)18-9-11-19(12-10-18)24-14-16-25(17-15-24)22-8-4-5-13-23-22/h2-8,13,18-19H,9-12,14-17H2,1H3/t18-,19+
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 480n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A receptor in rat hippocampal membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50107247
PNG
(1-(4-(3-methoxyphenyl)cyclohex-3-enyl)-4-(pyridin-...)
Show SMILES COc1cccc(c1)C1=CCC(CC1)N1CCN(CC1)c1ccccn1 |t:9|
Show InChI InChI=1S/C22H27N3O/c1-26-21-6-4-5-19(17-21)18-8-10-20(11-9-18)24-13-15-25(16-14-24)22-7-2-3-12-23-22/h2-8,12,17,20H,9-11,13-16H2,1H3
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 536n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A receptor in rat hippocampal membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50109389
PNG
(1-Phenethyl-piperidine | 1-phenethylpiperidine | C...)
Show SMILES C(Cc1ccccc1)N1CCCCC1
Show InChI InChI=1S/C13H19N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14/h1,3-4,7-8H,2,5-6,9-12H2
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 595n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50107253
PNG
(1-((6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)me...)
Show SMILES COc1ccc2CC(CN3CCN(CC3)c3ccccn3)CCc2c1
Show InChI InChI=1S/C21H27N3O/c1-25-20-8-7-18-14-17(5-6-19(18)15-20)16-23-10-12-24(13-11-23)21-4-2-3-9-22-21/h2-4,7-9,15,17H,5-6,10-14,16H2,1H3
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 676n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A receptor in rat hippocampal membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50275280
PNG
(CHEMBL487359 | cis-4-(3-methoxyphenyl)-N-(2-(pyrid...)
Show SMILES COc1cccc(c1)[C@@H]1CC[C@@H](CC1)NCCOc1ccccn1 |r,wU:8.8,11.15,(8.88,4.05,;10.22,3.28,;11.55,4.05,;11.55,5.59,;12.88,6.36,;14.22,5.6,;14.22,4.04,;12.88,3.28,;15.56,3.28,;15.56,1.74,;16.88,.97,;18.22,1.74,;18.22,3.28,;16.89,4.05,;19.55,.96,;20.88,1.73,;22.22,.96,;23.55,1.72,;24.88,.95,;26.21,1.72,;27.54,.96,;27.54,-.59,;26.2,-1.36,;24.87,-.59,)|
Show InChI InChI=1S/C20H26N2O2/c1-23-19-6-4-5-17(15-19)16-8-10-18(11-9-16)21-13-14-24-20-7-2-3-12-22-20/h2-7,12,15-16,18,21H,8-11,13-14H2,1H3/t16-,18+
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 783n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from dopamine D2 receptor in rat striatal membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50275322
PNG
(CHEMBL485929 | cis-1-(4-(4-methoxyphenyl)cyclohexy...)
Show SMILES COc1ccc(cc1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:11.15,8.8,(8.9,-26.66,;10.23,-27.43,;11.56,-26.67,;11.56,-25.12,;12.89,-24.35,;14.23,-25.12,;14.23,-26.67,;12.9,-27.44,;15.56,-24.33,;16.89,-25.1,;18.22,-24.33,;18.22,-22.8,;16.88,-22.03,;15.55,-22.8,;19.55,-22.03,;20.88,-22.8,;22.21,-22.04,;22.22,-20.5,;20.88,-19.72,;19.54,-20.49,;23.55,-19.73,;23.55,-18.2,;24.88,-17.43,;26.22,-18.21,;26.21,-19.75,;24.88,-20.51,)|
Show InChI InChI=1S/C22H29N3O/c1-26-21-11-7-19(8-12-21)18-5-9-20(10-6-18)24-14-16-25(17-15-24)22-4-2-3-13-23-22/h2-4,7-8,11-13,18,20H,5-6,9-10,14-17H2,1H3/t18-,20+
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 787n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from dopamine D2 receptor in rat striatal membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50274837
PNG
(CHEMBL458553 | cis-4-(4-Phenylcyclohexyl)-1-(2-pyr...)
Show SMILES C1C[C@H](CC[C@H]1N1CCN(CC1)c1ccccn1)c1ccccc1 |r,wU:2.20,5.6,(-4.24,-47.15,;-5.56,-47.92,;-6.9,-47.15,;-6.91,-45.62,;-5.57,-44.85,;-4.24,-45.61,;-2.91,-44.84,;-1.58,-45.62,;-.25,-44.86,;-.24,-43.32,;-1.57,-42.54,;-2.91,-43.31,;1.1,-42.55,;1.09,-41.02,;2.42,-40.25,;3.76,-41.03,;3.76,-42.57,;2.42,-43.33,;-8.23,-47.93,;-9.56,-47.17,;-10.89,-47.94,;-10.89,-49.48,;-9.56,-50.25,;-8.22,-49.48,)|
Show InChI InChI=1S/C21H27N3/c1-2-6-18(7-3-1)19-9-11-20(12-10-19)23-14-16-24(17-15-23)21-8-4-5-13-22-21/h1-8,13,19-20H,9-12,14-17H2/t19-,20+
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 802n/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 membrane without cerebellum

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50275321
PNG
(CHEMBL521350 | cis-1-(4-(3-methoxyphenyl)cyclohexy...)
Show SMILES COc1cccc(c1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:8.8,11.15,(.19,-28.28,;1.52,-27.51,;1.52,-25.97,;.19,-25.2,;.19,-23.65,;1.52,-22.88,;2.85,-23.65,;2.86,-25.2,;4.18,-22.87,;5.52,-23.63,;6.85,-22.87,;6.85,-21.33,;5.51,-20.56,;4.17,-21.33,;8.17,-20.56,;9.51,-21.33,;10.84,-20.57,;10.84,-19.03,;9.51,-18.25,;8.17,-19.02,;12.18,-18.26,;12.18,-16.73,;13.51,-15.96,;14.85,-16.74,;14.84,-18.28,;13.51,-19.04,)|
Show InChI InChI=1S/C22H29N3O/c1-26-21-6-4-5-19(17-21)18-8-10-20(11-9-18)24-13-15-25(16-14-24)22-7-2-3-12-23-22/h2-7,12,17-18,20H,8-11,13-16H2,1H3/t18-,20+
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 815n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A receptor in rat hippocampal membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50275321
PNG
(CHEMBL521350 | cis-1-(4-(3-methoxyphenyl)cyclohexy...)
Show SMILES COc1cccc(c1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:8.8,11.15,(.19,-28.28,;1.52,-27.51,;1.52,-25.97,;.19,-25.2,;.19,-23.65,;1.52,-22.88,;2.85,-23.65,;2.86,-25.2,;4.18,-22.87,;5.52,-23.63,;6.85,-22.87,;6.85,-21.33,;5.51,-20.56,;4.17,-21.33,;8.17,-20.56,;9.51,-21.33,;10.84,-20.57,;10.84,-19.03,;9.51,-18.25,;8.17,-19.02,;12.18,-18.26,;12.18,-16.73,;13.51,-15.96,;14.85,-16.74,;14.84,-18.28,;13.51,-19.04,)|
Show InChI InChI=1S/C22H29N3O/c1-26-21-6-4-5-19(17-21)18-8-10-20(11-9-18)24-13-15-25(16-14-24)22-7-2-3-12-23-22/h2-7,12,17-18,20H,8-11,13-16H2,1H3/t18-,20+
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>850n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from dopamine D2 receptor in rat striatal membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50107253
PNG
(1-((6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)me...)
Show SMILES COc1ccc2CC(CN3CCN(CC3)c3ccccn3)CCc2c1
Show InChI InChI=1S/C21H27N3O/c1-25-20-8-7-18-14-17(5-6-19(18)15-20)16-23-10-12-24(13-11-23)21-4-2-3-9-22-21/h2-4,7-9,15,17H,5-6,10-14,16H2,1H3
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>850n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from dopamine D2 receptor in rat striatal membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50274839
PNG
(CHEMBL456435 | cis-4-[4-(2-Methylphenyl)cyclohexyl...)
Show SMILES Cc1ccccc1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:7.7,10.14,(14.09,-43.6,;14.1,-45.14,;12.77,-45.91,;12.77,-47.45,;14.1,-48.22,;15.44,-47.45,;15.43,-45.9,;16.76,-45.12,;18.09,-45.89,;19.42,-45.12,;19.42,-43.58,;18.09,-42.82,;16.75,-43.59,;20.75,-42.81,;22.08,-43.59,;23.41,-42.83,;23.42,-41.29,;22.09,-40.51,;20.75,-41.28,;24.75,-40.52,;24.75,-38.99,;26.08,-38.22,;27.42,-39,;27.41,-40.54,;26.08,-41.3,)|
Show InChI InChI=1S/C22H29N3/c1-18-6-2-3-7-21(18)19-9-11-20(12-10-19)24-14-16-25(17-15-24)22-8-4-5-13-23-22/h2-8,13,19-20H,9-12,14-17H2,1H3/t19-,20+
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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](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane without cerebellum

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50274944
PNG
(CHEMBL458802 | cis-4-[4-(2-Chlorophenyl)cyclohexyl...)
Show SMILES Clc1ccccc1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:7.7,10.14,(2.07,.71,;2.07,-.83,;.74,-1.6,;.74,-3.14,;2.07,-3.92,;3.41,-3.14,;3.41,-1.59,;4.74,-.81,;6.07,-1.58,;7.4,-.81,;7.4,.73,;6.06,1.5,;4.73,.72,;8.73,1.5,;10.06,.72,;11.39,1.48,;11.4,3.02,;10.06,3.8,;8.72,3.03,;12.73,3.79,;12.73,5.32,;14.06,6.09,;15.4,5.32,;15.39,3.77,;14.06,3.01,)|
Show InChI InChI=1S/C21H26ClN3/c22-20-6-2-1-5-19(20)17-8-10-18(11-9-17)24-13-15-25(16-14-24)21-7-3-4-12-23-21/h1-7,12,17-18H,8-11,13-16H2/t17-,18+
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 1.09E+3n/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 membrane without cerebellum

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50107247
PNG
(1-(4-(3-methoxyphenyl)cyclohex-3-enyl)-4-(pyridin-...)
Show SMILES COc1cccc(c1)C1=CCC(CC1)N1CCN(CC1)c1ccccn1 |t:9|
Show InChI InChI=1S/C22H27N3O/c1-26-21-6-4-5-19(17-21)18-8-10-20(11-9-18)24-13-15-25(16-14-24)22-7-2-3-12-23-22/h2-8,12,17,20H,9-11,13-16H2,1H3
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 1.22E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from dopamine D2 receptor in rat striatal membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50275281
PNG
(CHEMBL487360 | cis-1-(4-(3-methoxyphenyl)cyclohexy...)
Show SMILES COc1cccc(c1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1cccc2ccccc12 |r,wU:11.15,8.8,(8.56,-15.38,;9.89,-14.61,;9.89,-13.07,;8.56,-12.3,;8.56,-10.76,;9.89,-9.99,;11.22,-10.75,;11.23,-12.3,;12.56,-9.97,;13.89,-10.74,;15.22,-9.97,;15.22,-8.43,;13.88,-7.66,;12.55,-8.43,;16.55,-7.66,;17.88,-8.43,;19.21,-7.67,;19.22,-6.13,;17.89,-5.35,;16.54,-6.12,;20.56,-5.36,;20.55,-3.83,;21.88,-3.06,;23.22,-3.84,;23.22,-5.38,;24.54,-6.14,;24.54,-7.68,;23.21,-8.45,;21.88,-7.68,;21.88,-6.14,)|
Show InChI InChI=1S/C27H32N2O/c1-30-25-9-4-8-23(20-25)21-12-14-24(15-13-21)28-16-18-29(19-17-28)27-11-5-7-22-6-2-3-10-26(22)27/h2-11,20-21,24H,12-19H2,1H3/t21-,24+
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 1.31E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from dopamine D2 receptor in rat striatal membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50275319
PNG
(CHEMBL485728 | cis-1-(4-(3-methoxyphenyl)cyclohexy...)
Show SMILES COc1cccc(c1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1 |r,wU:8.8,11.15,(21.08,-16.94,;22.41,-16.17,;22.41,-14.63,;21.08,-13.86,;21.08,-12.32,;22.41,-11.55,;23.74,-12.31,;23.75,-13.86,;25.07,-11.53,;26.41,-12.3,;27.73,-11.53,;27.73,-9.99,;26.4,-9.22,;25.06,-10,;29.06,-9.22,;30.39,-10,;31.72,-9.23,;31.73,-7.69,;30.4,-6.92,;29.06,-7.69,;33.07,-6.93,;33.06,-5.4,;34.39,-4.63,;35.73,-5.4,;35.73,-6.94,;34.39,-7.71,)|
Show InChI InChI=1S/C23H30N2O/c1-26-23-9-5-6-20(18-23)19-10-12-22(13-11-19)25-16-14-24(15-17-25)21-7-3-2-4-8-21/h2-9,18-19,22H,10-17H2,1H3/t19-,22+
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 1.71E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50275320
PNG
(CHEMBL485729 | cis-1-(4-(2-methoxyphenyl)cyclohexy...)
Show SMILES COc1ccccc1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:11.15,8.8,(-8.26,-19.66,;-9.59,-20.44,;-9.59,-21.97,;-10.92,-22.74,;-10.92,-24.29,;-9.58,-25.06,;-8.25,-24.29,;-8.25,-22.74,;-6.92,-21.96,;-5.59,-22.72,;-4.26,-21.96,;-4.26,-20.42,;-5.6,-19.65,;-6.93,-20.42,;-2.93,-19.65,;-1.6,-20.42,;-.27,-19.66,;-.26,-18.12,;-1.6,-17.34,;-2.94,-18.11,;1.07,-17.35,;1.07,-15.82,;2.4,-15.05,;3.74,-15.83,;3.73,-17.37,;2.4,-18.13,)|
Show InChI InChI=1S/C22H29N3O/c1-26-21-7-3-2-6-20(21)18-9-11-19(12-10-18)24-14-16-25(17-15-24)22-8-4-5-13-23-22/h2-8,13,18-19H,9-12,14-17H2,1H3/t18-,19+
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 2.12E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from dopamine D2 receptor in rat striatal membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50107251
PNG
(1-(4-(3-methoxyphenyl)cyclohex-3-enyl)-4-phenylpip...)
Show SMILES COc1cccc(c1)C1=CCC(CC1)N1CCN(CC1)c1ccccc1 |t:9|
Show InChI InChI=1S/C23H28N2O/c1-26-23-9-5-6-20(18-23)19-10-12-22(13-11-19)25-16-14-24(15-17-25)21-7-3-2-4-8-21/h2-10,18,22H,11-17H2,1H3
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 2.19E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from dopamine D2 receptor in rat striatal membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50275319
PNG
(CHEMBL485728 | cis-1-(4-(3-methoxyphenyl)cyclohexy...)
Show SMILES COc1cccc(c1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1 |r,wU:8.8,11.15,(21.08,-16.94,;22.41,-16.17,;22.41,-14.63,;21.08,-13.86,;21.08,-12.32,;22.41,-11.55,;23.74,-12.31,;23.75,-13.86,;25.07,-11.53,;26.41,-12.3,;27.73,-11.53,;27.73,-9.99,;26.4,-9.22,;25.06,-10,;29.06,-9.22,;30.39,-10,;31.72,-9.23,;31.73,-7.69,;30.4,-6.92,;29.06,-7.69,;33.07,-6.93,;33.06,-5.4,;34.39,-4.63,;35.73,-5.4,;35.73,-6.94,;34.39,-7.71,)|
Show InChI InChI=1S/C23H30N2O/c1-26-23-9-5-6-20(18-23)19-10-12-22(13-11-19)25-16-14-24(15-17-25)21-7-3-2-4-8-21/h2-9,18-19,22H,10-17H2,1H3/t19-,22+
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 2.38E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from dopamine D2 receptor in rat striatal membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		BDBM50107247
PNG
(1-(4-(3-methoxyphenyl)cyclohex-3-enyl)-4-(pyridin-...)
Show SMILES COc1cccc(c1)C1=CCC(CC1)N1CCN(CC1)c1ccccn1 |t:9|
Show InChI InChI=1S/C22H27N3O/c1-26-21-6-4-5-19(17-21)18-8-10-20(11-9-18)24-13-15-25(16-14-24)22-7-2-3-12-23-22/h2-8,12,17,20H,9-11,13-16H2,1H3
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 2.64E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50274946
PNG
(CHEMBL511507 | cis-4-[4-(2,6-Difluorophenyl)cycloh...)
Show SMILES Fc1cccc(F)c1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:11.15,8.8,(-9.21,-11,;-9.21,-12.54,;-10.54,-13.31,;-10.54,-14.85,;-9.2,-15.62,;-7.87,-14.85,;-6.53,-15.62,;-7.87,-13.3,;-6.54,-12.52,;-5.21,-13.29,;-3.88,-12.52,;-3.88,-10.98,;-5.22,-10.21,;-6.55,-10.98,;-2.55,-10.21,;-1.22,-10.99,;.11,-10.22,;.12,-8.68,;-1.22,-7.91,;-2.56,-8.67,;1.45,-7.92,;1.45,-6.38,;2.78,-5.62,;4.12,-6.39,;4.11,-7.93,;2.78,-8.69,)|
Show InChI InChI=1S/C21H25F2N3/c22-18-4-3-5-19(23)21(18)16-7-9-17(10-8-16)25-12-14-26(15-13-25)20-6-1-2-11-24-20/h1-6,11,16-17H,7-10,12-15H2/t16-,17+
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 5.17E+3n/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 membrane without cerebellum

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50274948
PNG
(CHEMBL457722 | cis-4-[4-(2,6-Dimethoxyphenyl)cyclo...)
Show SMILES COc1cccc(OC)c1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:13.17,10.10,(18.58,-10.5,;17.25,-11.27,;17.25,-12.81,;15.92,-13.58,;15.92,-15.12,;17.26,-15.89,;18.59,-15.12,;19.93,-15.89,;19.93,-17.43,;18.59,-13.57,;19.92,-12.79,;21.25,-13.56,;22.58,-12.79,;22.58,-11.25,;21.24,-10.48,;19.91,-11.25,;23.91,-10.48,;25.24,-11.26,;26.57,-10.49,;26.58,-8.95,;25.24,-8.18,;23.9,-8.95,;27.91,-8.19,;27.91,-6.66,;29.24,-5.89,;30.58,-6.66,;30.57,-8.2,;29.24,-8.97,)|
Show InChI InChI=1S/C23H31N3O2/c1-27-20-6-5-7-21(28-2)23(20)18-9-11-19(12-10-18)25-14-16-26(17-15-25)22-8-3-4-13-24-22/h3-8,13,18-19H,9-12,14-17H2,1-2H3/t18-,19+
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>6.00E+3n/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 membrane without cerebellum

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Cavia porcellus)		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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 7.66E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane

J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%