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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-1 receptor


(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
Sigma-1 receptor


(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-1 receptor


(Cavia porcellus (Guinea pig))
BDBM50035131
PNG
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)
Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C(C)C
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
Sigma-1 receptor


(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
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)
BDBM50274948
PNG
(CHEMBL457722 | cis-4-[4-(2,6-Dimethoxyphenyl)cyclo...)
Show SMILES COc1cccc(OC)c1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1
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
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
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
Sigma-1 receptor


(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
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
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
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-1 receptor


(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
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
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
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 C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C(C)C
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
Sigma-1 receptor


(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)
BDBM50275323
PNG
(CHEMBL486136 | trans-1-(4-(2-methoxyphenyl)cyclohe...)
Show SMILES COc1ccccc1[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1
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
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
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)
BDBM50275281
PNG
(CHEMBL487360 | cis-1-(4-(3-methoxyphenyl)cyclohexy...)
Show SMILES COc1cccc(c1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1cccc2ccccc12
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)
BDBM50274838
PNG
(CHEMBL456437 | trans-4-(4-Phenylcyclohexyl)-1-(2-p...)
Show SMILES C1C[C@@H](CC[C@H]1N1CCN(CC1)c1ccccn1)c1ccccc1
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)
BDBM50275280
PNG
(CHEMBL487359 | cis-4-(3-methoxyphenyl)-N-(2-(pyrid...)
Show SMILES COc1cccc(c1)[C@@H]1CC[C@@H](CC1)NCCOc1ccccn1
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-1 receptor


(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
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-1 receptor


(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
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)
BDBM50274971
PNG
(CHEMBL511680 | cis-4-[4-(2,6-Dimethylyphenyl)cyclo...)
Show SMILES Cc1cccc(C)c1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1
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)
BDBM50275322
PNG
(CHEMBL485929 | cis-1-(4-(4-methoxyphenyl)cyclohexy...)
Show SMILES COc1ccc(cc1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1
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)
BDBM50275321
PNG
(CHEMBL521350 | cis-1-(4-(3-methoxyphenyl)cyclohexy...)
Show SMILES COc1cccc(c1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1
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
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
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
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
Serotonin (5-HT) 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
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
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-1 receptor


(Cavia porcellus (Guinea pig))
BDBM81982
PNG
(CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...)
Show SMILES Cc1ccccc1NC(N)=Nc1ccccc1C
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
Serotonin (5-HT) 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
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-1 receptor


(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
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
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
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-1 receptor


(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
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-1 receptor


(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
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
Serotonin (5-HT) 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
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-1 receptor


(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
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-1 receptor


(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
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-1 receptor


(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
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-1 receptor


(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
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-1 receptor


(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
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-1 receptor


(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
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
Serotonin (5-HT) 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
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-1 receptor


(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
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-1 receptor


(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-1 receptor


(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-1 receptor


(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
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
Serotonin (5-HT) 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
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
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
Serotonin (5-HT) 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
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
Serotonin (5-HT) 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
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
Serotonin (5-HT) 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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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
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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
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-1 receptor


(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
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
Serotonin (5-HT) 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
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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-1 receptor


(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
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-1 receptor


(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
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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
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
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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
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
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-1 receptor


(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
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-1 receptor


(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
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
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%