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Compile Data Set for Download or QSAR

Found 1092 hits with Last Name = 'song' and Initial = 'g'   
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 intracellular receptor 2


(Homo sapiens (Human))
BDBM50055523
PNG
(CHEMBL3321792)
Show SMILES OC1(CC2CCC(C1)N2CCCSc1ccccc1F)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7|
Show InChI InChI=1S/C22H25ClFNOS/c23-17-8-6-16(7-9-17)22(26)14-18-10-11-19(15-22)25(18)12-3-13-27-21-5-2-1-4-20(21)24/h1-2,4-9,18-19,26H,3,10-15H2
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2.10n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-DTG from sigma 2 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50523091
PNG
(CHEMBL4577233)
Show SMILES Fc1ccc(SCCCN2CCCN(CC2)c2ccc(Cl)cn2)cc1
Show InChI InChI=1S/C19H23ClFN3S/c20-16-3-8-19(22-15-16)24-11-1-9-23(12-13-24)10-2-14-25-18-6-4-17(21)5-7-18/h3-8,15H,1-2,9-14H2
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2.20n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-DTG from sigma 2 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50523091
PNG
(CHEMBL4577233)
Show SMILES Fc1ccc(SCCCN2CCCN(CC2)c2ccc(Cl)cn2)cc1
Show InChI InChI=1S/C19H23ClFN3S/c20-16-3-8-19(22-15-16)24-11-1-9-23(12-13-24)10-2-14-25-18-6-4-17(21)5-7-18/h3-8,15H,1-2,9-14H2
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2.20n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-DTG from sigma 2 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50055523
PNG
(CHEMBL3321792)
Show SMILES OC1(CC2CCC(C1)N2CCCSc1ccccc1F)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7|
Show InChI InChI=1S/C22H25ClFNOS/c23-17-8-6-16(7-9-17)22(26)14-18-10-11-19(15-22)25(18)12-3-13-27-21-5-2-1-4-20(21)24/h1-2,4-9,18-19,26H,3,10-15H2
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2.20n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-DTG from sigma 2 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50523093
PNG
(CHEMBL4446729)
Show SMILES O\N=C(\CCCN1CCCN(CC1)c1ccc(Cl)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C20H24ClFN4O/c21-17-6-9-20(23-15-17)26-12-2-11-25(13-14-26)10-1-3-19(24-27)16-4-7-18(22)8-5-16/h4-9,15,27H,1-3,10-14H2/b24-19-
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2.5n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-DTG from sigma 2 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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2.5n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pentazocine from sigma 1 receptor (unknown origin) expressed in HEK293T cell membranes


Bioorg Med Chem 27: 2629-2636 (2019)


Article DOI: 10.1016/j.bmc.2019.04.012
BindingDB Entry DOI: 10.7270/Q2PZ5D7G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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2.5n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pentazocine from sigma 1 receptor (unknown origin) expressed in HEK293T cell membranes


Bioorg Med Chem 27: 2629-2636 (2019)


Article DOI: 10.1016/j.bmc.2019.04.012
BindingDB Entry DOI: 10.7270/Q2PZ5D7G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50523093
PNG
(CHEMBL4446729)
Show SMILES O\N=C(\CCCN1CCCN(CC1)c1ccc(Cl)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C20H24ClFN4O/c21-17-6-9-20(23-15-17)26-12-2-11-25(13-14-26)10-1-3-19(24-27)16-4-7-18(22)8-5-16/h4-9,15,27H,1-3,10-14H2/b24-19-
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2.70n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-DTG from sigma 2 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50363895
PNG
(CHEMBL1946126)
Show SMILES Fc1ccc(OCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H24ClFN2O/c21-17-3-7-19(8-4-17)24-13-1-11-23(14-15-24)12-2-16-25-20-9-5-18(22)6-10-20/h3-10H,1-2,11-16H2
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2.90n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-Pentazocine from sigma 1 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50363895
PNG
(CHEMBL1946126)
Show SMILES Fc1ccc(OCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H24ClFN2O/c21-17-3-7-19(8-4-17)24-13-1-11-23(14-15-24)12-2-16-25-20-9-5-18(22)6-10-20/h3-10H,1-2,11-16H2
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2.90n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-Pentazocine from sigma 1 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50363896
PNG
(CHEMBL1946253)
Show SMILES Fc1ccc(CCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H26ClFN2/c22-19-7-11-21(12-8-19)25-15-3-14-24(16-17-25)13-2-1-4-18-5-9-20(23)10-6-18/h5-12H,1-4,13-17H2
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3.60n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-Pentazocine from sigma 1 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50363896
PNG
(CHEMBL1946253)
Show SMILES Fc1ccc(CCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H26ClFN2/c22-19-7-11-21(12-8-19)25-15-3-14-24(16-17-25)13-2-1-4-18-5-9-20(23)10-6-18/h5-12H,1-4,13-17H2
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3.60n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-Pentazocine from sigma 1 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50523678
PNG
(CHEMBL4556093)
Show SMILES Clc1ccc(cc1)N1CCCN(CCC2=Cc3cc(Cl)ccc3C2=O)CC1 |t:15|
Show InChI InChI=1S/C22H22Cl2N2O/c23-18-2-5-20(6-3-18)26-10-1-9-25(12-13-26)11-8-16-14-17-15-19(24)4-7-21(17)22(16)27/h2-7,14-15H,1,8-13H2
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4.90n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pentazocine from sigma 1 receptor (unknown origin) expressed in HEK293T cell membranes


Bioorg Med Chem 27: 2629-2636 (2019)


Article DOI: 10.1016/j.bmc.2019.04.012
BindingDB Entry DOI: 10.7270/Q2PZ5D7G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50523678
PNG
(CHEMBL4556093)
Show SMILES Clc1ccc(cc1)N1CCCN(CCC2=Cc3cc(Cl)ccc3C2=O)CC1 |t:15|
Show InChI InChI=1S/C22H22Cl2N2O/c23-18-2-5-20(6-3-18)26-10-1-9-25(12-13-26)11-8-16-14-17-15-19(24)4-7-21(17)22(16)27/h2-7,14-15H,1,8-13H2
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5n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pentazocine from sigma 1 receptor (unknown origin) expressed in HEK293T cell membranes


Bioorg Med Chem 27: 2629-2636 (2019)


Article DOI: 10.1016/j.bmc.2019.04.012
BindingDB Entry DOI: 10.7270/Q2PZ5D7G
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50262929
PNG
(4-[4-(4-Chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluo...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClFN2O/c22-18-6-10-20(11-7-18)25-14-2-13-24(15-16-25)12-1-3-21(26)17-4-8-19(23)9-5-17/h4-11H,1-3,12-16H2
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5.10n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-DTG from sigma 2 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50523683
PNG
(CHEMBL4566049)
Show SMILES O\N=C(/CCCN1CCCN(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H25ClFN3O/c22-18-6-10-20(11-7-18)26-14-2-13-25(15-16-26)12-1-3-21(24-27)17-4-8-19(23)9-5-17/h4-11,27H,1-3,12-16H2/b24-21+
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5.10n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pentazocine from sigma 1 receptor (unknown origin) expressed in HEK293T cell membranes


Bioorg Med Chem 27: 2629-2636 (2019)


Article DOI: 10.1016/j.bmc.2019.04.012
BindingDB Entry DOI: 10.7270/Q2PZ5D7G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50523683
PNG
(CHEMBL4566049)
Show SMILES O\N=C(/CCCN1CCCN(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H25ClFN3O/c22-18-6-10-20(11-7-18)26-14-2-13-25(15-16-26)12-1-3-21(24-27)17-4-8-19(23)9-5-17/h4-11,27H,1-3,12-16H2/b24-21+
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5.10n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pentazocine from sigma 1 receptor (unknown origin) expressed in HEK293T cell membranes


Bioorg Med Chem 27: 2629-2636 (2019)


Article DOI: 10.1016/j.bmc.2019.04.012
BindingDB Entry DOI: 10.7270/Q2PZ5D7G
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50362857
PNG
(CHEMBL1940412)
Show SMILES Fc1ccc(OCCCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C19H23FN2O/c20-17-7-9-19(10-8-17)23-16-4-11-21-12-14-22(15-13-21)18-5-2-1-3-6-18/h1-3,5-10H,4,11-16H2
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5.10n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-DTG from sigma 2 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50262929
PNG
(4-[4-(4-Chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluo...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClFN2O/c22-18-6-10-20(11-7-18)25-14-2-13-24(15-16-25)12-1-3-21(26)17-4-8-19(23)9-5-17/h4-11H,1-3,12-16H2
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5.60n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-DTG from sigma 2 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50363895
PNG
(CHEMBL1946126)
Show SMILES Fc1ccc(OCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H24ClFN2O/c21-17-3-7-19(8-4-17)24-13-1-11-23(14-15-24)12-2-16-25-20-9-5-18(22)6-10-20/h3-10H,1-2,11-16H2
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5.90n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-DTG from sigma 2 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50363895
PNG
(CHEMBL1946126)
Show SMILES Fc1ccc(OCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H24ClFN2O/c21-17-3-7-19(8-4-17)24-13-1-11-23(14-15-24)12-2-16-25-20-9-5-18(22)6-10-20/h3-10H,1-2,11-16H2
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5.90n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-DTG from sigma 2 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50523091
PNG
(CHEMBL4577233)
Show SMILES Fc1ccc(SCCCN2CCCN(CC2)c2ccc(Cl)cn2)cc1
Show InChI InChI=1S/C19H23ClFN3S/c20-16-3-8-19(22-15-16)24-11-1-9-23(12-13-24)10-2-14-25-18-6-4-17(21)5-7-18/h3-8,15H,1-2,9-14H2
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7.20n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-Pentazocine from sigma 1 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50523091
PNG
(CHEMBL4577233)
Show SMILES Fc1ccc(SCCCN2CCCN(CC2)c2ccc(Cl)cn2)cc1
Show InChI InChI=1S/C19H23ClFN3S/c20-16-3-8-19(22-15-16)24-11-1-9-23(12-13-24)10-2-14-25-18-6-4-17(21)5-7-18/h3-8,15H,1-2,9-14H2
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7.20n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-Pentazocine from sigma 1 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50523096
PNG
(CHEMBL4574793)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCCN(CC1)c1ccc(Cl)cn1
Show InChI InChI=1S/C20H23ClFN3O/c21-17-6-9-20(23-15-17)25-12-2-11-24(13-14-25)10-1-3-19(26)16-4-7-18(22)8-5-16/h4-9,15H,1-3,10-14H2
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7.90n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-DTG from sigma 2 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50523096
PNG
(CHEMBL4574793)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCCN(CC1)c1ccc(Cl)cn1
Show InChI InChI=1S/C20H23ClFN3O/c21-17-6-9-20(23-15-17)25-12-2-11-24(13-14-25)10-1-3-19(26)16-4-7-18(22)8-5-16/h4-9,15H,1-3,10-14H2
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8n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-DTG from sigma 2 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50055522
PNG
(CHEMBL3321791)
Show SMILES OC1(CC2CCC(C1)N2CCCSc1cccc(F)c1)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7|
Show InChI InChI=1S/C22H25ClFNOS/c23-17-7-5-16(6-8-17)22(26)14-19-9-10-20(15-22)25(19)11-2-12-27-21-4-1-3-18(24)13-21/h1,3-8,13,19-20,26H,2,9-12,14-15H2
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8.10n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-DTG from sigma 2 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50055522
PNG
(CHEMBL3321791)
Show SMILES OC1(CC2CCC(C1)N2CCCSc1cccc(F)c1)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7|
Show InChI InChI=1S/C22H25ClFNOS/c23-17-7-5-16(6-8-17)22(26)14-19-9-10-20(15-22)25(19)11-2-12-27-21-4-1-3-18(24)13-21/h1,3-8,13,19-20,26H,2,9-12,14-15H2
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8.10n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-DTG from sigma 2 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50523095
PNG
(CHEMBL4573441)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccc(Cl)cn1
Show InChI InChI=1S/C19H21ClFN3O/c20-16-5-8-19(22-14-16)24-12-10-23(11-13-24)9-1-2-18(25)15-3-6-17(21)7-4-15/h3-8,14H,1-2,9-13H2
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8.40n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-DTG from sigma 2 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50523095
PNG
(CHEMBL4573441)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccc(Cl)cn1
Show InChI InChI=1S/C19H21ClFN3O/c20-16-5-8-19(22-14-16)24-12-10-23(11-13-24)9-1-2-18(25)15-3-6-17(21)7-4-15/h3-8,14H,1-2,9-13H2
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8.5n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-DTG from sigma 2 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50363896
PNG
(CHEMBL1946253)
Show SMILES Fc1ccc(CCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H26ClFN2/c22-19-7-11-21(12-8-19)25-15-3-14-24(16-17-25)13-2-1-4-18-5-9-20(23)10-6-18/h5-12H,1-4,13-17H2
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8.5n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-DTG from sigma 2 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50363896
PNG
(CHEMBL1946253)
Show SMILES Fc1ccc(CCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H26ClFN2/c22-19-7-11-21(12-8-19)25-15-3-14-24(16-17-25)13-2-1-4-18-5-9-20(23)10-6-18/h5-12H,1-4,13-17H2
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8.5n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-DTG from sigma 2 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50523092
PNG
(CHEMBL4581305)
Show SMILES O\N=C(\CCCN1CCCN(CC1)c1ccccn1)c1ccc(F)cc1
Show InChI InChI=1S/C20H25FN4O/c21-18-9-7-17(8-10-18)19(23-26)5-3-12-24-13-4-14-25(16-15-24)20-6-1-2-11-22-20/h1-2,6-11,26H,3-5,12-16H2/b23-19-
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13n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-DTG from sigma 2 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50523681
PNG
(CHEMBL4558031)
Show SMILES Fc1ccc2C(=O)C(CCN3CCCN(CC3)c3ccc(Cl)cn3)Cc2c1
Show InChI InChI=1S/C21H23ClFN3O/c22-17-2-5-20(24-14-17)26-8-1-7-25(10-11-26)9-6-15-12-16-13-18(23)3-4-19(16)21(15)27/h2-5,13-15H,1,6-12H2
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16n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pentazocine from sigma 1 receptor (unknown origin) expressed in HEK293T cell membranes


Bioorg Med Chem 27: 2629-2636 (2019)


Article DOI: 10.1016/j.bmc.2019.04.012
BindingDB Entry DOI: 10.7270/Q2PZ5D7G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50523681
PNG
(CHEMBL4558031)
Show SMILES Fc1ccc2C(=O)C(CCN3CCCN(CC3)c3ccc(Cl)cn3)Cc2c1
Show InChI InChI=1S/C21H23ClFN3O/c22-17-2-5-20(24-14-17)26-8-1-7-25(10-11-26)9-6-15-12-16-13-18(23)3-4-19(16)21(15)27/h2-5,13-15H,1,6-12H2
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16n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pentazocine from sigma 1 receptor (unknown origin) expressed in HEK293T cell membranes


Bioorg Med Chem 27: 2629-2636 (2019)


Article DOI: 10.1016/j.bmc.2019.04.012
BindingDB Entry DOI: 10.7270/Q2PZ5D7G
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50055520
PNG
(CHEMBL3321789)
Show SMILES OC1(CC2CCC(C1)N2CCCOc1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,20:1:8:4.5,0:1:8:4.5|
Show InChI InChI=1S/C22H25ClFNO2/c23-17-4-2-16(3-5-17)22(26)14-19-8-9-20(15-22)25(19)12-1-13-27-21-10-6-18(24)7-11-21/h2-7,10-11,19-20,26H,1,8-9,12-15H2
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20n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-DTG from sigma 2 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50055520
PNG
(CHEMBL3321789)
Show SMILES OC1(CC2CCC(C1)N2CCCOc1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,20:1:8:4.5,0:1:8:4.5|
Show InChI InChI=1S/C22H25ClFNO2/c23-17-4-2-16(3-5-17)22(26)14-19-8-9-20(15-22)25(19)12-1-13-27-21-10-6-18(24)7-11-21/h2-7,10-11,19-20,26H,1,8-9,12-15H2
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20n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-DTG from sigma 2 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50523676
PNG
(CHEMBL4529943)
Show SMILES Clc1ccc(cc1)N1CCCN(CCC2Cc3ccccc3C2=O)CC1
Show InChI InChI=1S/C22H25ClN2O/c23-19-6-8-20(9-7-19)25-12-3-11-24(14-15-25)13-10-18-16-17-4-1-2-5-21(17)22(18)26/h1-2,4-9,18H,3,10-16H2
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21n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pentazocine from sigma 1 receptor (unknown origin) expressed in HEK293T cell membranes


Bioorg Med Chem 27: 2629-2636 (2019)


Article DOI: 10.1016/j.bmc.2019.04.012
BindingDB Entry DOI: 10.7270/Q2PZ5D7G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50523684
PNG
(CHEMBL4463587)
Show SMILES Clc1ccc(cc1)N1CCN(CCC2Cc3cc(Cl)ccc3C2=O)CC1
Show InChI InChI=1S/C21H22Cl2N2O/c22-17-1-4-19(5-2-17)25-11-9-24(10-12-25)8-7-15-13-16-14-18(23)3-6-20(16)21(15)26/h1-6,14-15H,7-13H2
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21n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pentazocine from sigma 1 receptor (unknown origin) expressed in HEK293T cell membranes


Bioorg Med Chem 27: 2629-2636 (2019)


Article DOI: 10.1016/j.bmc.2019.04.012
BindingDB Entry DOI: 10.7270/Q2PZ5D7G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50523684
PNG
(CHEMBL4463587)
Show SMILES Clc1ccc(cc1)N1CCN(CCC2Cc3cc(Cl)ccc3C2=O)CC1
Show InChI InChI=1S/C21H22Cl2N2O/c22-17-1-4-19(5-2-17)25-11-9-24(10-12-25)8-7-15-13-16-14-18(23)3-6-20(16)21(15)26/h1-6,14-15H,7-13H2
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21n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pentazocine from sigma 1 receptor (unknown origin) expressed in HEK293T cell membranes


Bioorg Med Chem 27: 2629-2636 (2019)


Article DOI: 10.1016/j.bmc.2019.04.012
BindingDB Entry DOI: 10.7270/Q2PZ5D7G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50055519
PNG
(CHEMBL3321788)
Show SMILES OC1(CC2CCC(C1)N2CCCCc1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,20:1:8:4.5,0:1:8:4.5|
Show InChI InChI=1S/C23H27ClFNO/c24-19-8-6-18(7-9-19)23(27)15-21-12-13-22(16-23)26(21)14-2-1-3-17-4-10-20(25)11-5-17/h4-11,21-22,27H,1-3,12-16H2
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22n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-Pentazocine from sigma 1 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50055519
PNG
(CHEMBL3321788)
Show SMILES OC1(CC2CCC(C1)N2CCCCc1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,20:1:8:4.5,0:1:8:4.5|
Show InChI InChI=1S/C23H27ClFNO/c24-19-8-6-18(7-9-19)23(27)15-21-12-13-22(16-23)26(21)14-2-1-3-17-4-10-20(25)11-5-17/h4-11,21-22,27H,1-3,12-16H2
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22n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-Pentazocine from sigma 1 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50523682
PNG
(CHEMBL4474014)
Show SMILES Fc1ccc2CC(CCN3CCCN(CC3)c3ccccn3)Cc2c1
Show InChI InChI=1S/C21H26FN3/c22-20-6-5-18-14-17(15-19(18)16-20)7-11-24-9-3-10-25(13-12-24)21-4-1-2-8-23-21/h1-2,4-6,8,16-17H,3,7,9-15H2
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22n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pentazocine from sigma 1 receptor (unknown origin) expressed in HEK293T cell membranes


Bioorg Med Chem 27: 2629-2636 (2019)


Article DOI: 10.1016/j.bmc.2019.04.012
BindingDB Entry DOI: 10.7270/Q2PZ5D7G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50523682
PNG
(CHEMBL4474014)
Show SMILES Fc1ccc2CC(CCN3CCCN(CC3)c3ccccn3)Cc2c1
Show InChI InChI=1S/C21H26FN3/c22-20-6-5-18-14-17(15-19(18)16-20)7-11-24-9-3-10-25(13-12-24)21-4-1-2-8-23-21/h1-2,4-6,8,16-17H,3,7,9-15H2
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22n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pentazocine from sigma 1 receptor (unknown origin) expressed in HEK293T cell membranes


Bioorg Med Chem 27: 2629-2636 (2019)


Article DOI: 10.1016/j.bmc.2019.04.012
BindingDB Entry DOI: 10.7270/Q2PZ5D7G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50262929
PNG
(4-[4-(4-Chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluo...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClFN2O/c22-18-6-10-20(11-7-18)25-14-2-13-24(15-16-25)12-1-3-21(26)17-4-8-19(23)9-5-17/h4-11H,1-3,12-16H2
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23n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-Pentazocine from sigma 1 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50262929
PNG
(4-[4-(4-Chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluo...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClFN2O/c22-18-6-10-20(11-7-18)25-14-2-13-24(15-16-25)12-1-3-21(26)17-4-8-19(23)9-5-17/h4-11H,1-3,12-16H2
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24n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-Pentazocine from sigma 1 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50523095
PNG
(CHEMBL4573441)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccc(Cl)cn1
Show InChI InChI=1S/C19H21ClFN3O/c20-16-5-8-19(22-14-16)24-12-10-23(11-13-24)9-1-2-18(25)15-3-6-17(21)7-4-15/h3-8,14H,1-2,9-13H2
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25n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-Pentazocine from sigma 1 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50523089
PNG
(CHEMBL4554850)
Show SMILES O\N=C(\CCCN1CCCN(CC1)c1ncccn1)c1ccc(F)cc1
Show InChI InChI=1S/C19H24FN5O/c20-17-7-5-16(6-8-17)18(23-26)4-1-11-24-12-3-13-25(15-14-24)19-21-9-2-10-22-19/h2,5-10,26H,1,3-4,11-15H2/b23-18-
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25n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-DTG from sigma 2 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50362859
PNG
(CHEMBL1940414)
Show SMILES C(COc1ccccc1)CN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C19H24N2O/c1-3-8-18(9-4-1)21-15-13-20(14-16-21)12-7-17-22-19-10-5-2-6-11-19/h1-6,8-11H,7,12-17H2
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25n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-DTG from sigma 2 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50055519
PNG
(CHEMBL3321788)
Show SMILES OC1(CC2CCC(C1)N2CCCCc1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,20:1:8:4.5,0:1:8:4.5|
Show InChI InChI=1S/C23H27ClFNO/c24-19-8-6-18(7-9-19)23(27)15-21-12-13-22(16-23)26(21)14-2-1-3-17-4-10-20(25)11-5-17/h4-11,21-22,27H,1-3,12-16H2
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25n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-DTG from sigma 2 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50523095
PNG
(CHEMBL4573441)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccc(Cl)cn1
Show InChI InChI=1S/C19H21ClFN3O/c20-16-5-8-19(22-14-16)24-12-10-23(11-13-24)9-1-2-18(25)15-3-6-17(21)7-4-15/h3-8,14H,1-2,9-13H2
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25n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement [3H]-Pentazocine from sigma 1 receptor (unknown origin) expressed in HEK cell membranes


Bioorg Med Chem 27: 2421-2426 (2019)


Article DOI: 10.1016/j.bmc.2019.01.035
BindingDB Entry DOI: 10.7270/Q2FJ2M62
More data for this
Ligand-Target Pair
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