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Compile Data Set for Download or QSAR

Found 829 hits with Last Name = 'holenz' and Initial = 'j'   
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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50163035
PNG
(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...)
Show SMILES CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12
Show InChI InChI=1S/C21H22ClN3O2S2/c1-13-17-10-15(22)4-7-20(17)28-21(13)29(26,27)24-16-5-6-19-18(11-16)14(12-23-19)8-9-25(2)3/h4-7,10-12,23-24H,8-9H2,1-3H3
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0.100n/an/an/an/an/an/an/an/a



Laboratorios Dr. Esteve S.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells


J Med Chem 48: 1781-95 (2005)


Article DOI: 10.1021/jm049615n
BindingDB Entry DOI: 10.7270/Q2ZP45N9
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM34143
PNG
(CHEMBL175835 | E-6837)
Show SMILES CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc4c(Cl)cccc4c3)cc12
Show InChI InChI=1S/C22H22ClN3O2S/c1-26(2)11-10-16-14-24-22-9-6-17(13-20(16)22)25-29(27,28)18-7-8-19-15(12-18)4-3-5-21(19)23/h3-9,12-14,24-25H,10-11H2,1-2H3
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0.200n/an/an/an/an/an/an/an/a



Laboratorios Dr. Esteve S.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells


J Med Chem 48: 1781-95 (2005)


Article DOI: 10.1021/jm049615n
BindingDB Entry DOI: 10.7270/Q2ZP45N9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50252721
PNG
(1-(Cyclohexylmethyl)-6-methoxy-6,7-dihydrospiro[pi...)
Show SMILES COC1Cc2sccc2C2(CCN(CC3CCCCC3)CC2)O1
Show InChI InChI=1S/C19H29NO2S/c1-21-18-13-17-16(7-12-23-17)19(22-18)8-10-20(11-9-19)14-15-5-3-2-4-6-15/h7,12,15,18H,2-6,8-11,13-14H2,1H3
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0.290n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis


J Med Chem 55: 5350-60 (2012)


Article DOI: 10.1021/jm300302p
BindingDB Entry DOI: 10.7270/Q2VX0HMZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50252721
PNG
(1-(Cyclohexylmethyl)-6-methoxy-6,7-dihydrospiro[pi...)
Show SMILES COC1Cc2sccc2C2(CCN(CC3CCCCC3)CC2)O1
Show InChI InChI=1S/C19H29NO2S/c1-21-18-13-17-16(7-12-23-17)19(22-18)8-10-20(11-9-19)14-15-5-3-2-4-6-15/h7,12,15,18H,2-6,8-11,13-14H2,1H3
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0.290n/an/an/an/an/an/an/an/a



Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster

Curated by ChEMBL


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


J Med Chem 51: 6531-7 (2008)


Article DOI: 10.1021/jm8007739
BindingDB Entry DOI: 10.7270/Q28S4PRP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50163094
PNG
(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...)
Show SMILES CCN(CC)CCc1c[nH]c2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12
Show InChI InChI=1S/C23H26ClN3O2S2/c1-4-27(5-2)11-10-16-14-25-21-8-7-18(13-20(16)21)26-31(28,29)23-15(3)19-12-17(24)6-9-22(19)30-23/h6-9,12-14,25-26H,4-5,10-11H2,1-3H3
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0.300n/an/an/an/an/an/an/an/a



Laboratorios Dr. Esteve S.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells


J Med Chem 48: 1781-95 (2005)


Article DOI: 10.1021/jm049615n
BindingDB Entry DOI: 10.7270/Q2ZP45N9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50389025
PNG
(CHEMBL2064198)
Show SMILES C(N1CCC2(CC1)OCCc1sccc21)c1ccccc1
Show InChI InChI=1S/C18H21NOS/c1-2-4-15(5-3-1)14-19-10-8-18(9-11-19)16-7-13-21-17(16)6-12-20-18/h1-5,7,13H,6,8-12,14H2
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0.310n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis


J Med Chem 55: 5350-60 (2012)


Article DOI: 10.1021/jm300302p
BindingDB Entry DOI: 10.7270/Q2VX0HMZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50252946
PNG
(1-Benzyl-6-methoxy-6,7-dihydrospiro[piperidine-4,4...)
Show SMILES COC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C19H23NO2S/c1-21-18-13-17-16(7-12-23-17)19(22-18)8-10-20(11-9-19)14-15-5-3-2-4-6-15/h2-7,12,18H,8-11,13-14H2,1H3
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0.320n/an/an/an/an/an/an/an/a



Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster

Curated by ChEMBL


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


J Med Chem 51: 6531-7 (2008)


Article DOI: 10.1021/jm8007739
BindingDB Entry DOI: 10.7270/Q28S4PRP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50163067
PNG
(Biphenyl-4-sulfonic acid [3-(2-dimethylamino-ethyl...)
Show SMILES CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccccc3)cc12
Show InChI InChI=1S/C24H25N3O2S/c1-27(2)15-14-20-17-25-24-13-10-21(16-23(20)24)26-30(28,29)22-11-8-19(9-12-22)18-6-4-3-5-7-18/h3-13,16-17,25-26H,14-15H2,1-2H3
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0.400n/an/an/an/an/an/an/an/a



Laboratorios Dr. Esteve S.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells


J Med Chem 48: 1781-95 (2005)


Article DOI: 10.1021/jm049615n
BindingDB Entry DOI: 10.7270/Q2ZP45N9
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM34145
PNG
(pyrrolidinylindole, (R)-5b)
Show SMILES [H][C@]1(Cc2c[nH]c3ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)cc23)CCCN1C |r|
Show InChI InChI=1S/C21H22F3N3O2S/c1-27-10-2-3-17(27)11-14-13-25-20-9-6-16(12-19(14)20)26-30(28,29)18-7-4-15(5-8-18)21(22,23)24/h4-9,12-13,17,25-26H,2-3,10-11H2,1H3/t17-/m1/s1
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0.400 -55.8n/an/a 4.5n/an/a7.437



Universitat de Barcelona



Assay Description
Radioligand binding assays were performed using membranes from HEK-293 transfected with human 5-HT6 receptor. In these membranes the receptor concent...


Bioorg Med Chem 17: 7387-97 (2009)


Article DOI: 10.1016/j.bmc.2009.08.006
BindingDB Entry DOI: 10.7270/Q2RR1WKS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50321782
PNG
(1-(cyclohexylmethyl)-1'-phenyl-6',7'-dihydro-1'H-s...)
Show SMILES C(C1CCCCC1)N1CCC2(CC1)OCCc1c2cnn1-c1ccccc1
Show InChI InChI=1S/C23H31N3O/c1-3-7-19(8-4-1)18-25-14-12-23(13-15-25)21-17-24-26(22(21)11-16-27-23)20-9-5-2-6-10-20/h2,5-6,9-10,17,19H,1,3-4,7-8,11-16,18H2
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0.430n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting


J Med Chem 54: 6704-13 (2011)


Article DOI: 10.1021/jm200585k
BindingDB Entry DOI: 10.7270/Q22R3SN0
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50389031
PNG
(CHEMBL2064201)
Show SMILES N#CC1Cc2sccc2C2(CCN(CC3CCCCC3)CC2)O1
Show InChI InChI=1S/C19H26N2OS/c20-13-16-12-18-17(6-11-23-18)19(22-16)7-9-21(10-8-19)14-15-4-2-1-3-5-15/h6,11,15-16H,1-5,7-10,12,14H2
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0.460n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis


J Med Chem 55: 5350-60 (2012)


Article DOI: 10.1021/jm300302p
BindingDB Entry DOI: 10.7270/Q2VX0HMZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50163061
PNG
(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...)
Show SMILES CCCN(CCC)CCc1c[nH]c2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12
Show InChI InChI=1S/C25H30ClN3O2S2/c1-4-11-29(12-5-2)13-10-18-16-27-23-8-7-20(15-22(18)23)28-33(30,31)25-17(3)21-14-19(26)6-9-24(21)32-25/h6-9,14-16,27-28H,4-5,10-13H2,1-3H3
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0.5n/an/an/an/an/an/an/an/a



Laboratorios Dr. Esteve S.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells


J Med Chem 48: 1781-95 (2005)


Article DOI: 10.1021/jm049615n
BindingDB Entry DOI: 10.7270/Q2ZP45N9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50353612
PNG
(CHEMBL1829574)
Show SMILES COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CC3CCCCC3)CC2)O1
Show InChI InChI=1S/C24H33N3O2/c1-28-23-16-22-21(17-25-27(22)20-10-6-3-7-11-20)24(29-23)12-14-26(15-13-24)18-19-8-4-2-5-9-19/h3,6-7,10-11,17,19,23H,2,4-5,8-9,12-16,18H2,1H3
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0.550n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting


J Med Chem 54: 6704-13 (2011)


Article DOI: 10.1021/jm200585k
BindingDB Entry DOI: 10.7270/Q22R3SN0
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50252759
PNG
(1-(4-Fluorobenzyl)-6-methoxy-6,7-dihydrospiro[pipe...)
Show SMILES COC1Cc2sccc2C2(CCN(Cc3ccc(F)cc3)CC2)O1
Show InChI InChI=1S/C19H22FNO2S/c1-22-18-12-17-16(6-11-24-17)19(23-18)7-9-21(10-8-19)13-14-2-4-15(20)5-3-14/h2-6,11,18H,7-10,12-13H2,1H3
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0.620n/an/an/an/an/an/an/an/a



Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster

Curated by ChEMBL


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


J Med Chem 51: 6531-7 (2008)


Article DOI: 10.1021/jm8007739
BindingDB Entry DOI: 10.7270/Q28S4PRP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50321753
PNG
(1-(cyclohexylmethyl)-6',7'-dihydrospiro[piperidine...)
Show SMILES C(C1CCCCC1)N1CCC2(CC1)OCCc1sccc21
Show InChI InChI=1S/C18H27NOS/c1-2-4-15(5-3-1)14-19-10-8-18(9-11-19)16-7-13-21-17(16)6-12-20-18/h7,13,15H,1-6,8-12,14H2
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0.660n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis


J Med Chem 55: 5350-60 (2012)


Article DOI: 10.1021/jm300302p
BindingDB Entry DOI: 10.7270/Q2VX0HMZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM34143
PNG
(CHEMBL175835 | E-6837)
Show SMILES CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc4c(Cl)cccc4c3)cc12
Show InChI InChI=1S/C22H22ClN3O2S/c1-26(2)11-10-16-14-24-22-9-6-17(13-20(16)22)25-29(27,28)18-7-8-19-15(12-18)4-3-5-21(19)23/h3-9,12-14,24-25H,10-11H2,1-2H3
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0.700 -54.4n/an/a 0.290n/an/a7.437



Universitat de Barcelona



Assay Description
Radioligand binding assays were performed using membranes from HEK-293 transfected with human 5-HT6 receptor. In these membranes the receptor concent...


Bioorg Med Chem 17: 7387-97 (2009)


Article DOI: 10.1016/j.bmc.2009.08.006
BindingDB Entry DOI: 10.7270/Q2RR1WKS
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50163053
PNG
(CHEMBL368390 | Naphthalene-1-sulfonic acid [3-(2-d...)
Show SMILES CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3cccc4ccccc34)cc12
Show InChI InChI=1S/C22H23N3O2S/c1-25(2)13-12-17-15-23-21-11-10-18(14-20(17)21)24-28(26,27)22-9-5-7-16-6-3-4-8-19(16)22/h3-11,14-15,23-24H,12-13H2,1-2H3
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0.800n/an/an/an/an/an/an/an/a



Laboratorios Dr. Esteve S.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells


J Med Chem 48: 1781-95 (2005)


Article DOI: 10.1021/jm049615n
BindingDB Entry DOI: 10.7270/Q2ZP45N9
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM28583
PNG
(5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-...)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
Show InChI InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3
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0.800n/an/an/an/an/an/an/an/a



Laboratorios Dr. Esteve S.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells


J Med Chem 48: 1781-95 (2005)


Article DOI: 10.1021/jm049615n
BindingDB Entry DOI: 10.7270/Q2ZP45N9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50321793
PNG
(1'-phenyl-1-(3-phenylpropyl)-6',7'-dihydro-1'H-spi...)
Show SMILES C(CN1CCC2(CC1)OCCc1c2cnn1-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C25H29N3O/c1-3-8-21(9-4-1)10-7-16-27-17-14-25(15-18-27)23-20-26-28(24(23)13-19-29-25)22-11-5-2-6-12-22/h1-6,8-9,11-12,20H,7,10,13-19H2
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0.810n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting


J Med Chem 54: 6704-13 (2011)


Article DOI: 10.1021/jm200585k
BindingDB Entry DOI: 10.7270/Q22R3SN0
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50353614
PNG
(CHEMBL1829579)
Show SMILES CCCCCN1CCC2(CC1)OC(Cc1c2cnn1-c1ccccc1)OC
Show InChI InChI=1S/C22H31N3O2/c1-3-4-8-13-24-14-11-22(12-15-24)19-17-23-25(18-9-6-5-7-10-18)20(19)16-21(26-2)27-22/h5-7,9-10,17,21H,3-4,8,11-16H2,1-2H3
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0.820n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting


J Med Chem 54: 6704-13 (2011)


Article DOI: 10.1021/jm200585k
BindingDB Entry DOI: 10.7270/Q22R3SN0
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50353607
PNG
(CHEMBL1829568)
Show SMILES COC1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccc(F)cc3)CC2)O1
Show InChI InChI=1S/C24H26FN3O2/c1-29-23-15-22-21(16-26-28(22)20-5-3-2-4-6-20)24(30-23)11-13-27(14-12-24)17-18-7-9-19(25)10-8-18/h2-10,16,23H,11-15,17H2,1H3
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0.940n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting


J Med Chem 54: 6704-13 (2011)


Article DOI: 10.1021/jm200585k
BindingDB Entry DOI: 10.7270/Q22R3SN0
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50353615
PNG
(CHEMBL1829580)
Show SMILES COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCC(C)C)CC2)O1
Show InChI InChI=1S/C22H31N3O2/c1-17(2)9-12-24-13-10-22(11-14-24)19-16-23-25(18-7-5-4-6-8-18)20(19)15-21(26-3)27-22/h4-8,16-17,21H,9-15H2,1-3H3
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0.970n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting


J Med Chem 54: 6704-13 (2011)


Article DOI: 10.1021/jm200585k
BindingDB Entry DOI: 10.7270/Q22R3SN0
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50353626
PNG
(CHEMBL1829671)
Show SMILES CC(=C)CCN1CCC2(CC1)OCCc1c2cnn1-c1ccccc1
Show InChI InChI=1S/C21H27N3O/c1-17(2)8-12-23-13-10-21(11-14-23)19-16-22-24(20(19)9-15-25-21)18-6-4-3-5-7-18/h3-7,16H,1,8-15H2,2H3
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0.970n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting


J Med Chem 54: 6704-13 (2011)


Article DOI: 10.1021/jm200585k
BindingDB Entry DOI: 10.7270/Q22R3SN0
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50353625
PNG
(CHEMBL1829670)
Show SMILES CC(C)CCN1CCC2(CC1)OCCc1c2cnn1-c1ccccc1
Show InChI InChI=1S/C21H29N3O/c1-17(2)8-12-23-13-10-21(11-14-23)19-16-22-24(20(19)9-15-25-21)18-6-4-3-5-7-18/h3-7,16-17H,8-15H2,1-2H3
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0.980n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting


J Med Chem 54: 6704-13 (2011)


Article DOI: 10.1021/jm200585k
BindingDB Entry DOI: 10.7270/Q22R3SN0
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50252761
PNG
(6-Methoxy-1-(3-methylbut-2-enyl)-6,7-dihydrospiro[...)
Show SMILES [#6]-[#8]-[#6]-1-[#6]-c2sccc2C2([#6]-[#6]-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]2)[#8]-1
Show InChI InChI=1S/C17H25NO2S/c1-13(2)4-8-18-9-6-17(7-10-18)14-5-11-21-15(14)12-16(19-3)20-17/h4-5,11,16H,6-10,12H2,1-3H3
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1n/an/an/an/an/an/an/an/a



Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster

Curated by ChEMBL


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


J Med Chem 51: 6531-7 (2008)


Article DOI: 10.1021/jm8007739
BindingDB Entry DOI: 10.7270/Q28S4PRP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50252722
PNG
(6-Methoxy-1-(3-methylbutyl)-6,7-dihydrospiro[piper...)
Show SMILES COC1Cc2sccc2C2(CCN(CCC(C)C)CC2)O1
Show InChI InChI=1S/C17H27NO2S/c1-13(2)4-8-18-9-6-17(7-10-18)14-5-11-21-15(14)12-16(19-3)20-17/h5,11,13,16H,4,6-10,12H2,1-3H3
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1n/an/an/an/an/an/an/an/a



Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster

Curated by ChEMBL


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


J Med Chem 51: 6531-7 (2008)


Article DOI: 10.1021/jm8007739
BindingDB Entry DOI: 10.7270/Q28S4PRP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM34147
PNG
(CHEMBL425196 | pyrrolidinylindole, 6)
Show SMILES CN1CCC(C1)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C19H19BrN2O2S/c1-21-11-10-14(12-21)16-13-22(18-8-4-2-6-15(16)18)25(23,24)19-9-5-3-7-17(19)20/h2-9,13-14H,10-12H2,1H3
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1 -53.4n/an/a 53.3n/an/a7.437



Universitat de Barcelona



Assay Description
Radioligand binding assays were performed using membranes from HEK-293 transfected with human 5-HT6 receptor. In these membranes the receptor concent...


Bioorg Med Chem 17: 7387-97 (2009)


Article DOI: 10.1016/j.bmc.2009.08.006
BindingDB Entry DOI: 10.7270/Q2RR1WKS
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM34144
PNG
((R)-5a | WAY-466)
Show SMILES [H][C@]1(Cc2c[nH]c3ccc(NS(=O)(=O)c4ccccc4I)cc23)CCCN1 |r|
Show InChI InChI=1S/C19H20IN3O2S/c20-17-5-1-2-6-19(17)26(24,25)23-15-7-8-18-16(11-15)13(12-22-18)10-14-4-3-9-21-14/h1-2,5-8,11-12,14,21-23H,3-4,9-10H2/t14-/m1/s1
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1 -53.4n/an/a 0.400n/an/a7.437



Universitat de Barcelona



Assay Description
Radioligand binding assays were performed using membranes from HEK-293 transfected with human 5-HT6 receptor. In these membranes the receptor concent...


Bioorg Med Chem 17: 7387-97 (2009)


Article DOI: 10.1016/j.bmc.2009.08.006
BindingDB Entry DOI: 10.7270/Q2RR1WKS
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50300676
PNG
(2-(1-(5-(4-methoxyphenylsulfonamido)-1H-indol-3-yl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc2[nH]cc(C(C)=NN=C(N)N)c2c1 |w:21.22,(-11.39,-8.91,;-10.64,-10.25,;-9.1,-10.26,;-8.32,-8.93,;-6.78,-8.93,;-6.03,-10.28,;-6.79,-11.6,;-8.33,-11.6,;-4.49,-10.28,;-4.5,-8.74,;-3.17,-10.29,;-4.49,-11.82,;-3.15,-12.59,;-3.15,-14.14,;-1.82,-14.91,;-.48,-14.14,;.99,-14.62,;1.9,-13.36,;.99,-12.1,;1.46,-10.64,;.43,-9.5,;2.97,-10.32,;3.45,-8.85,;4.95,-8.53,;5.43,-7.07,;5.98,-9.68,;-.49,-12.58,;-1.83,-11.82,)|
Show InChI InChI=1S/C18H20N6O3S/c1-11(22-23-18(19)20)16-10-21-17-8-3-12(9-15(16)17)24-28(25,26)14-6-4-13(27-2)5-7-14/h3-10,21,24H,1-2H3,(H4,19,20,23)
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1n/an/an/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells


J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50300675
PNG
(2-(1-(5-(phenylsulfonamido)-1H-indol-3-yl)ethylide...)
Show SMILES CC(=NN=C(N)N)c1c[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12 |w:2.2,(28.57,2.48,;29.6,1.34,;31.11,1.66,;31.59,3.12,;33.09,3.44,;33.57,4.91,;34.12,2.3,;29.13,-.13,;30.04,-1.38,;29.13,-2.64,;27.66,-2.16,;26.32,-2.93,;24.99,-2.16,;24.99,-.62,;23.66,.15,;23.65,1.69,;23.64,3.23,;24.97,1.68,;22.11,1.7,;21.36,3.04,;19.82,3.05,;19.04,1.72,;19.81,.38,;21.35,.38,;26.31,.15,;27.65,-.61,)|
Show InChI InChI=1S/C17H18N6O2S/c1-11(21-22-17(18)19)15-10-20-16-8-7-12(9-14(15)16)23-26(24,25)13-5-3-2-4-6-13/h2-10,20,23H,1H3,(H4,18,19,22)
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1n/an/an/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells


J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50163071
PNG
(Biphenyl-4-sulfonic acid [3-(2-diethylamino-ethyl)...)
Show SMILES CCN(CC)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccccc3)cc12
Show InChI InChI=1S/C26H29N3O2S/c1-3-29(4-2)17-16-22-19-27-26-15-12-23(18-25(22)26)28-32(30,31)24-13-10-21(11-14-24)20-8-6-5-7-9-20/h5-15,18-19,27-28H,3-4,16-17H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Laboratorios Dr. Esteve S.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells


J Med Chem 48: 1781-95 (2005)


Article DOI: 10.1021/jm049615n
BindingDB Entry DOI: 10.7270/Q2ZP45N9
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50163077
PNG
(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12
Show InChI InChI=1S/C23H24ClN3O2S2/c1-14-18-11-16(24)3-6-22(18)30-23(14)31(28,29)26-17-4-5-21-19(12-17)20(13-25-21)15-7-9-27(2)10-8-15/h3-6,11-13,15,25-26H,7-10H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Laboratorios Dr. Esteve S.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells


J Med Chem 48: 1781-95 (2005)


Article DOI: 10.1021/jm049615n
BindingDB Entry DOI: 10.7270/Q2ZP45N9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50108659
PNG
(1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...)
Show SMILES COC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C20H23NO2/c1-22-19-17-9-5-6-10-18(17)20(23-19)11-13-21(14-12-20)15-16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting


J Med Chem 54: 6704-13 (2011)


Article DOI: 10.1021/jm200585k
BindingDB Entry DOI: 10.7270/Q22R3SN0
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50321756
PNG
((R)-1-benzyl-6'-methoxy-6',7'-dihydrospiro[piperid...)
Show SMILES CO[C@H]1Cc2sc(cc2C2(CCN(Cc3ccccc3)CC2)O1)C#N |r|
Show InChI InChI=1S/C20H22N2O2S/c1-23-19-12-18-17(11-16(13-21)25-18)20(24-19)7-9-22(10-8-20)14-15-5-3-2-4-6-15/h2-6,11,19H,7-10,12,14H2,1H3/t19-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis


J Med Chem 55: 5350-60 (2012)


Article DOI: 10.1021/jm300302p
BindingDB Entry DOI: 10.7270/Q2VX0HMZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50108659
PNG
(1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...)
Show SMILES COC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C20H23NO2/c1-22-19-17-9-5-6-10-18(17)20(23-19)11-13-21(14-12-20)15-16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis


J Med Chem 55: 5350-60 (2012)


Article DOI: 10.1021/jm300302p
BindingDB Entry DOI: 10.7270/Q2VX0HMZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50300669
PNG
(2-(6-{[(6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)su...)
Show SMILES NC(=N)N\N=C1/CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12
Show InChI InChI=1S/C15H14ClN7O2S2/c16-12-13(23-5-6-26-15(23)19-12)27(24,25)22-9-3-1-8-2-4-11(10(8)7-9)20-21-14(17)18/h1,3,5-7,22H,2,4H2,(H4,17,18,21)/b20-11+
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1.20n/an/an/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting


J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50389029
PNG
(CHEMBL2064184)
Show SMILES COC1Cc2sc(Cl)cc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C19H22ClNO2S/c1-22-18-12-16-15(11-17(20)24-16)19(23-18)7-9-21(10-8-19)13-14-5-3-2-4-6-14/h2-6,11,18H,7-10,12-13H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis


J Med Chem 55: 5350-60 (2012)


Article DOI: 10.1021/jm300302p
BindingDB Entry DOI: 10.7270/Q2VX0HMZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50108653
PNG
(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Show SMILES COC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C21H25NO2/c1-23-20-15-18-9-5-6-10-19(18)21(24-20)11-13-22(14-12-21)16-17-7-3-2-4-8-17/h2-10,20H,11-16H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster

Curated by ChEMBL


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


J Med Chem 51: 6531-7 (2008)


Article DOI: 10.1021/jm8007739
BindingDB Entry DOI: 10.7270/Q28S4PRP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50108653
PNG
(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Show SMILES COC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C21H25NO2/c1-23-20-15-18-9-5-6-10-19(18)21(24-20)11-13-22(14-12-21)16-17-7-3-2-4-8-17/h2-10,20H,11-16H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain after 180 mins by scintillation counting


Eur J Med Chem 44: 4306-14 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.017
BindingDB Entry DOI: 10.7270/Q2G73FPV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50108653
PNG
(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Show SMILES COC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C21H25NO2/c1-23-20-15-18-9-5-6-10-19(18)21(24-20)11-13-22(14-12-21)16-17-7-3-2-4-8-17/h2-10,20H,11-16H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 180 mins by solid scintillation counting


Eur J Med Chem 53: 327-36 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.018
BindingDB Entry DOI: 10.7270/Q23R0TWQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50108653
PNG
(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Show SMILES COC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C21H25NO2/c1-23-20-15-18-9-5-6-10-19(18)21(24-20)11-13-22(14-12-21)16-17-7-3-2-4-8-17/h2-10,20H,11-16H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting


J Med Chem 54: 6704-13 (2011)


Article DOI: 10.1021/jm200585k
BindingDB Entry DOI: 10.7270/Q22R3SN0
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50389024
PNG
(CHEMBL2064202)
Show SMILES N#CC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C19H20N2OS/c20-13-16-12-18-17(6-11-23-18)19(22-16)7-9-21(10-8-19)14-15-4-2-1-3-5-15/h1-6,11,16H,7-10,12,14H2
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1.40n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis


J Med Chem 55: 5350-60 (2012)


Article DOI: 10.1021/jm300302p
BindingDB Entry DOI: 10.7270/Q2VX0HMZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50353622
PNG
(CHEMBL1829667)
Show SMILES C(N1CCC2(CC1)OC=Cc1c2cnn1-c1ccccc1)c1ccccc1 |c:9|
Show InChI InChI=1S/C23H23N3O/c1-3-7-19(8-4-1)18-25-14-12-23(13-15-25)21-17-24-26(22(21)11-16-27-23)20-9-5-2-6-10-20/h1-11,16-17H,12-15,18H2
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1.48n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting


J Med Chem 54: 6704-13 (2011)


Article DOI: 10.1021/jm200585k
BindingDB Entry DOI: 10.7270/Q22R3SN0
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50353608
PNG
(CHEMBL1829569)
Show SMILES COC1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccc(OC)cc3)CC2)O1
Show InChI InChI=1S/C25H29N3O3/c1-29-21-10-8-19(9-11-21)18-27-14-12-25(13-15-27)22-17-26-28(20-6-4-3-5-7-20)23(22)16-24(30-2)31-25/h3-11,17,24H,12-16,18H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting


J Med Chem 54: 6704-13 (2011)


Article DOI: 10.1021/jm200585k
BindingDB Entry DOI: 10.7270/Q22R3SN0
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50321778
PNG
((R)-1-benzyl-6'-methoxy-1'-phenyl-6',7'-dihydro-1'...)
Show SMILES CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccccc3)CC2)O1 |r|
Show InChI InChI=1S/C24H27N3O2/c1-28-23-16-22-21(17-25-27(22)20-10-6-3-7-11-20)24(29-23)12-14-26(15-13-24)18-19-8-4-2-5-9-19/h2-11,17,23H,12-16,18H2,1H3/t23-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting


J Med Chem 54: 6704-13 (2011)


Article DOI: 10.1021/jm200585k
BindingDB Entry DOI: 10.7270/Q22R3SN0
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50252763
PNG
(6-Methoxy-1-pentyl-6,7-dihydrospiro[piperidine-4,4...)
Show SMILES CCCCCN1CCC2(CC1)OC(Cc1sccc21)OC
Show InChI InChI=1S/C17H27NO2S/c1-3-4-5-9-18-10-7-17(8-11-18)14-6-12-21-15(14)13-16(19-2)20-17/h6,12,16H,3-5,7-11,13H2,1-2H3
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1.60n/an/an/an/an/an/an/an/a



Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster

Curated by ChEMBL


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


J Med Chem 51: 6531-7 (2008)


Article DOI: 10.1021/jm8007739
BindingDB Entry DOI: 10.7270/Q28S4PRP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50300670
PNG
((+/-)-2-(6-{[(6-Chloroimidazo[2,1-b][1,3]thiazol-5...)
Show SMILES CC1Cc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc2\C1=N\NC(N)=N
Show InChI InChI=1S/C16H16ClN7O2S2/c1-8-6-9-2-3-10(7-11(9)12(8)21-22-15(18)19)23-28(25,26)14-13(17)20-16-24(14)4-5-27-16/h2-5,7-8,23H,6H2,1H3,(H4,18,19,22)/b21-12+
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1.60n/an/an/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting


J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50353616
PNG
(CHEMBL1829581)
Show SMILES COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCC(C)=C)CC2)O1
Show InChI InChI=1S/C22H29N3O2/c1-17(2)9-12-24-13-10-22(11-14-24)19-16-23-25(18-7-5-4-6-8-18)20(19)15-21(26-3)27-22/h4-8,16,21H,1,9-15H2,2-3H3
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1.60n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting


J Med Chem 54: 6704-13 (2011)


Article DOI: 10.1021/jm200585k
BindingDB Entry DOI: 10.7270/Q22R3SN0
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50389033
PNG
(CHEMBL2064199)
Show SMILES C(C1CCCCC1)N1CCC2(CC1)OC=Cc1sccc21 |c:16|
Show InChI InChI=1S/C18H25NOS/c1-2-4-15(5-3-1)14-19-10-8-18(9-11-19)16-7-13-21-17(16)6-12-20-18/h6-7,12-13,15H,1-5,8-11,14H2
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1.70n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis


J Med Chem 55: 5350-60 (2012)


Article DOI: 10.1021/jm300302p
BindingDB Entry DOI: 10.7270/Q2VX0HMZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50353624
PNG
(CHEMBL1829669)
Show SMILES C(N1CCC2(CC1)OCCc1c2cnn1-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H25N3O/c1-3-7-19(8-4-1)18-25-14-12-23(13-15-25)21-17-24-26(22(21)11-16-27-23)20-9-5-2-6-10-20/h1-10,17H,11-16,18H2
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1.71n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting


J Med Chem 54: 6704-13 (2011)


Article DOI: 10.1021/jm200585k
BindingDB Entry DOI: 10.7270/Q22R3SN0
More data for this
Ligand-Target Pair
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