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Compile Data Set for Download or QSAR

Found 595 hits with Last Name = 'zeng' and Initial = 'c'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50299708
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronap...)
Show SMILES COc1cccc2C(CCCC3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1/C25H39NO/c1-27-25-15-7-13-23-21(10-6-14-24(23)25)9-5-8-20-16-18-26(19-17-20)22-11-3-2-4-12-22/h7,13,15,20-22H,2-6,8-12,14,16-19H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


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


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50035114
PNG
(1'-[4-(1-methylsulfonyl-1H-3-indolyl)butyl]spiro[1...)
Show SMILES CS(=O)(=O)n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12
Show InChI InChI=1S/C25H30N2O3S/c1-31(28,29)27-18-20(22-10-3-5-12-24(22)27)8-6-7-15-26-16-13-25(14-17-26)23-11-4-2-9-21(23)19-30-25/h2-5,9-12,18H,6-8,13-17,19H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 opioid receptor (unknown origin)


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50137626
PNG
(5-Bromo-N-{4-[4-(2,3-dichloro-phenyl)-piperazin-1-...)
Show SMILES COc1cc(Br)cc(C(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1OC
Show InChI InChI=1S/C23H28BrCl2N3O3/c1-31-20-15-16(24)14-17(22(20)32-2)23(30)27-8-3-4-9-28-10-12-29(13-11-28)19-7-5-6-18(25)21(19)26/h5-7,14-15H,3-4,8-13H2,1-2H3,(H,27,30)
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2.10n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor (unknown origin) by radioligand binding assay


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50035131
PNG
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)
Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C(C)C
Show InChI InChI=1/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+/s2
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3.10n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from sigma-1 receptor in guinea pig brain membrane homogenate after 90 mins by liquid scintillation counting anal...


J Med Chem 57: 4239-51 (2014)


Article DOI: 10.1021/jm5001453
BindingDB Entry DOI: 10.7270/Q20P11KX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Caspase-3


(Homo sapiens (Human))
BDBM10351
PNG
(1-(4-Methoxybenzyl)-5-(2-(pyridin-3-yl-oxymethyl)-...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)cc1
Show InChI InChI=1/C26H25N3O6S/c1-34-20-8-6-18(7-9-20)16-28-24-11-10-22(14-23(24)25(30)26(28)31)36(32,33)29-13-3-4-19(29)17-35-21-5-2-12-27-15-21/h2,5-12,14-15,19H,3-4,13,16-17H2,1H3/t19-/s2
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4.40n/a 3.90n/an/an/an/an/an/a



Washington University School of Medicine



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...


J Med Chem 48: 7637-47 (2005)


Article DOI: 10.1021/jm0506625
BindingDB Entry DOI: 10.7270/Q2V40SDN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50006606
PNG
(CHEMBL3235106)
Show SMILES O=S(=O)(c1ccccc1)n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12
Show InChI InChI=1S/C30H32N2O3S/c33-36(34,26-12-2-1-3-13-26)32-22-24(27-14-5-7-16-29(27)32)10-8-9-19-31-20-17-30(18-21-31)28-15-6-4-11-25(28)23-35-30/h1-7,11-16,22H,8-10,17-21,23H2
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10n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 opioid receptor (unknown origin)


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50006609
PNG
(CHEMBL3235467)
Show SMILES CN1CC[C@@]2(C[C@H]1\C(=C/c1cccc(O)c1)C(=O)C2)c1cccc(O)c1
Show InChI InChI=1/C22H23NO3/c1-23-9-8-22(16-5-3-7-18(25)12-16)13-20(23)19(21(26)14-22)11-15-4-2-6-17(24)10-15/h2-7,10-12,20,24-25H,8-9,13-14H2,1H3/b19-11+/t20-,22-/s2
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11n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 opioid receptor (unknown origin)


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1/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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13n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from sigma-1 receptor in human MCF7 cell membranes after 120 mins


J Med Chem 57: 4239-51 (2014)


Article DOI: 10.1021/jm5001453
BindingDB Entry DOI: 10.7270/Q20P11KX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50035105
PNG
(1'-{4-[1-(4-fluorophenyl)-1H-3-indolyl]butyl}spiro...)
Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12
Show InChI InChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2
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17n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 receptor (unknown origin)


J Med Chem 57: 4239-51 (2014)


Article DOI: 10.1021/jm5001453
BindingDB Entry DOI: 10.7270/Q20P11KX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50035105
PNG
(1'-{4-[1-(4-fluorophenyl)-1H-3-indolyl]butyl}spiro...)
Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12
Show InChI InChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2
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17n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 opioid receptor (unknown origin)


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50336571
PNG
((+)-(R)-N-[(5-Methoxy-1,2,3,4-tetrahydronaphthalen...)
Show SMILES COc1cccc2[C@@H](CCCc12)NC(=O)CN1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C23H35N3O2/c1-28-22-12-6-9-19-20(22)10-5-11-21(19)24-23(27)17-25-13-15-26(16-14-25)18-7-3-2-4-8-18/h6,9,12,18,21H,2-5,7-8,10-11,13-17H2,1H3,(H,24,27)/t21-/s2
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20n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


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


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50006607
PNG
(CHEMBL3235465 | US9604926, Compound SN-79 | US9724...)
Show SMILES CC(=O)c1ccc2n(CCCCN3CCN(CC3)c3ccc(F)cc3)c(=O)oc2c1
Show InChI InChI=1S/C23H26FN3O3/c1-17(28)18-4-9-21-22(16-18)30-23(29)27(21)11-3-2-10-25-12-14-26(15-13-25)20-7-5-19(24)6-8-20/h4-9,16H,2-3,10-15H2,1H3
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27n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma-1 opioid receptor in rat brain


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50407213
PNG
(CHEMBL2111685)
Show SMILES CN1CC[C@@]2(C[C@H]1C(=Cc1ccc(Cl)c(Cl)c1)C(=O)C2)c1cccc(O)c1
Show InChI InChI=1/C22H21Cl2NO2/c1-25-8-7-22(15-3-2-4-16(26)11-15)12-20(25)17(21(27)13-22)9-14-5-6-18(23)19(24)10-14/h2-6,9-11,20,26H,7-8,12-13H2,1H3/b17-9+/t20-,22-/s2
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27n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 opioid receptor (unknown origin)


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50137626
PNG
(5-Bromo-N-{4-[4-(2,3-dichloro-phenyl)-piperazin-1-...)
Show SMILES COc1cc(Br)cc(C(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1OC
Show InChI InChI=1S/C23H28BrCl2N3O3/c1-31-20-15-16(24)14-17(22(20)32-2)23(30)27-8-3-4-9-28-10-12-29(13-11-28)19-7-5-6-18(25)21(19)26/h5-7,14-15H,3-4,8-13H2,1-2H3,(H,27,30)
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59n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor (unknown origin) by radioligand binding assay


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50336572
PNG
((-)-(S)-N-[(5-Methoxy-1,2,3,4-tetrahydronaphthalen...)
Show SMILES COc1cccc2[C@H](CCCc12)NC(=O)CN1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C23H35N3O2/c1-28-22-12-6-9-19-20(22)10-5-11-21(19)24-23(27)17-25-13-15-26(16-14-25)18-7-3-2-4-8-18/h6,9,12,18,21H,2-5,7-8,10-11,13-17H2,1H3,(H,24,27)/t21-/s2
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95n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


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


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50299706
PNG
(4-Cyclohexyl-1-[3-(5-methoxy-1,2,3,4-tetrahydronap...)
Show SMILES COc1cccc2C(CCCN3CCC(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1/C25H39NO/c1-27-25-14-6-12-23-22(10-5-13-24(23)25)11-7-17-26-18-15-21(16-19-26)20-8-3-2-4-9-20/h6,12,14,20-22H,2-5,7-11,13,15-19H2,1H3
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143n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


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


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50430266
PNG
(CHEMBL2332501)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc(F)cc1
Show InChI InChI=1/C18H18FNO/c19-8-3-1-7(2-4-8)6-20-17-13-9-5-10-12-11(9)14(17)16(12)18(20,21)15(10)13/h1-4,9-17,21H,5-6H2
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152n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to guinea pig brain membrane sigma-1 opioid receptor by radioligand displacement assay


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50216057
PNG
(CHEMBL226539 | N-[6,7-dimethoxy-3,4-dihydro-1H-iso...)
Show SMILES COc1cc2CCN(CCCCNC(=O)c3cc(C)ccc3OCCF)Cc2cc1OC
Show InChI InChI=1S/C25H33FN2O4/c1-18-6-7-22(32-13-9-26)21(14-18)25(29)27-10-4-5-11-28-12-8-19-15-23(30-2)24(31-3)16-20(19)17-28/h6-7,14-16H,4-5,8-13,17H2,1-3H3,(H,27,29)
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330n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of 5-bromo-N-(4-(3,4-dihydro-6,7-dimethoxyisoquinolin-2(1H)-yl)butyl)-2,3-dimethoxybenzamide from sigma-1 receptor in mouse EMT6 cell me...


J Med Chem 57: 4239-51 (2014)


Article DOI: 10.1021/jm5001453
BindingDB Entry DOI: 10.7270/Q20P11KX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50137618
PNG
(5-Bromo-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...)
Show SMILES COc1cc2CCN(CCCCNC(=O)c3cc(Br)cc(OC)c3OC)Cc2cc1OC
Show InChI InChI=1S/C24H31BrN2O5/c1-29-20-11-16-7-10-27(15-17(16)12-21(20)30-2)9-6-5-8-26-24(28)19-13-18(25)14-22(31-3)23(19)32-4/h11-14H,5-10,15H2,1-4H3,(H,26,28)
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627n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor (unknown origin) by radioligand binding assay


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50137626
PNG
(5-Bromo-N-{4-[4-(2,3-dichloro-phenyl)-piperazin-1-...)
Show SMILES COc1cc(Br)cc(C(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1OC
Show InChI InChI=1S/C23H28BrCl2N3O3/c1-31-20-15-16(24)14-17(22(20)32-2)23(30)27-8-3-4-9-28-10-12-29(13-11-28)19-7-5-6-18(25)21(19)26/h5-7,14-15H,3-4,8-13H2,1-2H3,(H,27,30)
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800n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D4 receptor (unknown origin) by radioligand binding assay


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50137626
PNG
(5-Bromo-N-{4-[4-(2,3-dichloro-phenyl)-piperazin-1-...)
Show SMILES COc1cc(Br)cc(C(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1OC
Show InChI InChI=1S/C23H28BrCl2N3O3/c1-31-20-15-16(24)14-17(22(20)32-2)23(30)27-8-3-4-9-28-10-12-29(13-11-28)19-7-5-6-18(25)21(19)26/h5-7,14-15H,3-4,8-13H2,1-2H3,(H,27,30)
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809n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 opioid receptor (unknown origin)


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50006611
PNG
(CHEMBL45951)
Show SMILES CCC(Oc1ccc(Cl)cc1)C(=O)OC1CC2CCC(C1)N2C
Show InChI InChI=1/C18H24ClNO3/c1-3-17(22-15-8-4-12(19)5-9-15)18(21)23-16-10-13-6-7-14(11-16)20(13)2/h4-5,8-9,13-14,16-17H,3,6-7,10-11H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 opioid receptor (unknown origin)


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50035098
PNG
(1-(4-Fluoro-phenyl)-3-{4-[3-(4-fluoro-phenyl)-8-az...)
Show SMILES Fc1ccc(cc1)C1=CC2CCC(C1)N2CCCCc1cn(-c2ccc(F)cc2)c2ccccc12
Show InChI InChI=1/C31H30F2N2/c32-25-10-8-22(9-11-25)24-19-28-16-17-29(20-24)34(28)18-4-3-5-23-21-35(27-14-12-26(33)13-15-27)31-7-2-1-6-30(23)31/h1-2,6-15,19,21,28-29H,3-5,16-18,20H2
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1.20E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 opioid receptor (unknown origin)


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50216055
PNG
(CHEMBL387741 | N-[4-(6,7-dimethoxy-3,4-dihydro-1H-...)
Show SMILES COc1cc2CCN(CCCCNC(=O)c3cc(I)ccc3OCCF)Cc2cc1OC
Show InChI InChI=1S/C24H30FIN2O4/c1-30-22-13-17-7-11-28(16-18(17)14-23(22)31-2)10-4-3-9-27-24(29)20-15-19(26)5-6-21(20)32-12-8-25/h5-6,13-15H,3-4,7-12,16H2,1-2H3,(H,27,29)
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1.30E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of 5-bromo-N-(4-(3,4-dihydro-6,7-dimethoxyisoquinolin-2(1H)-yl)butyl)-2,3-dimethoxybenzamide from sigma-1 receptor in mouse EMT6 cell me...


J Med Chem 57: 4239-51 (2014)


Article DOI: 10.1021/jm5001453
BindingDB Entry DOI: 10.7270/Q20P11KX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50255709
PNG
(9-(4-(Dimethylamino)benzyl)-9-azabicyclo[3.3.1]non...)
Show SMILES COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2Cc1ccc(cc1)N(C)C
Show InChI InChI=1/C26H35N3O3/c1-18-8-13-25(31-4)24(14-18)27-26(30)32-23-15-21-6-5-7-22(16-23)29(21)17-19-9-11-20(12-10-19)28(2)3/h8-14,21-23H,5-7,15-17H2,1-4H3,(H,27,30)
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1.44E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 opioid receptor (unknown origin)


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM82353
PNG
(1-{3-[4-(substitutedphenyl)piperazin1-yl]propyl}-1...)
Show SMILES Fc1ccccc1N1CCN(CCCn2ccc3ccccc23)CC1
Show InChI InChI=1S/C21H24FN3/c22-19-7-2-4-9-21(19)25-16-14-23(15-17-25)11-5-12-24-13-10-18-6-1-3-8-20(18)24/h1-4,6-10,13H,5,11-12,14-17H2
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1.49E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 opioid receptor (unknown origin)


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50016290
PNG
(CHEMBL3262787)
Show SMILES COc1cccc(Cn2cc(nn2)-c2cccc(c2)C(=O)NCCCCN2CCc3cc(OC)c(OC)cc3C2)c1
Show InChI InChI=1S/C32H37N5O4/c1-39-28-11-6-8-23(16-28)20-37-22-29(34-35-37)25-9-7-10-26(17-25)32(38)33-13-4-5-14-36-15-12-24-18-30(40-2)31(41-3)19-27(24)21-36/h6-11,16-19,22H,4-5,12-15,20-21H2,1-3H3,(H,33,38)
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1.75E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from sigma-1 receptor in guinea pig brain membrane homogenate after 90 mins by liquid scintillation counting anal...


J Med Chem 57: 4239-51 (2014)


Article DOI: 10.1021/jm5001453
BindingDB Entry DOI: 10.7270/Q20P11KX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50137618
PNG
(5-Bromo-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...)
Show SMILES COc1cc2CCN(CCCCNC(=O)c3cc(Br)cc(OC)c3OC)Cc2cc1OC
Show InChI InChI=1S/C24H31BrN2O5/c1-29-20-11-16-7-10-27(15-17(16)12-21(20)30-2)9-6-5-8-26-24(28)19-13-18(25)14-22(31-3)23(19)32-4/h11-14H,5-10,15H2,1-4H3,(H,26,28)
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2.20E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor (unknown origin) by radioligand binding assay


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50137615
PNG
(5-Bromo-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...)
Show SMILES COc1cc2CCN(CCNC(=O)c3cc(Br)cc(OC)c3OC)Cc2cc1OC
Show InChI InChI=1S/C22H27BrN2O5/c1-27-18-9-14-5-7-25(13-15(14)10-19(18)28-2)8-6-24-22(26)17-11-16(23)12-20(29-3)21(17)30-4/h9-12H,5-8,13H2,1-4H3,(H,24,26)
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2.93E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 opioid receptor (unknown origin)


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50006608
PNG
(CHEMBL3235466)
Show SMILES CN1CC[C@]2(C[C@@H]1\C(=C/c1cccc(O)c1)C(=O)C2)c1cccc(O)c1
Show InChI InChI=1/C22H23NO3/c1-23-9-8-22(16-5-3-7-18(25)12-16)13-20(23)19(21(26)14-22)11-15-4-2-6-17(24)10-15/h2-7,10-12,20,24-25H,8-9,13-14H2,1H3/b19-11+/t20-,22-/s2
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3.06E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 opioid receptor (unknown origin)


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50016262
PNG
(CHEMBL3262795)
Show SMILES CN1CC[C@@]2(CC\C(=C\c3ccccc3)[C@@H]1C2)c1cccc(O)c1
Show InChI InChI=1/C22H25NO/c1-23-13-12-22(19-8-5-9-20(24)15-19)11-10-18(21(23)16-22)14-17-6-3-2-4-7-17/h2-9,14-15,21,24H,10-13,16H2,1H3/b18-14-/t21-,22+/s2
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3.06E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 receptor (unknown origin)


J Med Chem 57: 4239-51 (2014)


Article DOI: 10.1021/jm5001453
BindingDB Entry DOI: 10.7270/Q20P11KX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50137628
PNG
(CHEMBL1830682 | CHEMBL60048 | N-(4-(6,7-dimethoxy-...)
Show SMILES COc1ccc(C)cc1C(=O)NCCCCN1CCc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C24H32N2O4/c1-17-7-8-21(28-2)20(13-17)24(27)25-10-5-6-11-26-12-9-18-14-22(29-3)23(30-4)15-19(18)16-26/h7-8,13-15H,5-6,9-12,16H2,1-4H3,(H,25,27)
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3.08E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 opioid receptor (unknown origin)


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50137628
PNG
(CHEMBL1830682 | CHEMBL60048 | N-(4-(6,7-dimethoxy-...)
Show SMILES COc1ccc(C)cc1C(=O)NCCCCN1CCc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C24H32N2O4/c1-17-7-8-21(28-2)20(13-17)24(27)25-10-5-6-11-26-12-9-18-14-22(29-3)23(30-4)15-19(18)16-26/h7-8,13-15H,5-6,9-12,16H2,1-4H3,(H,25,27)
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3.08E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of 5-bromo-N-(4-(3,4-dihydro-6,7-dimethoxyisoquinolin-2(1H)-yl)butyl)-2,3-dimethoxybenzamide from sigma-1 receptor in mouse EMT6 cell me...


J Med Chem 57: 4239-51 (2014)


Article DOI: 10.1021/jm5001453
BindingDB Entry DOI: 10.7270/Q20P11KX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50016272
PNG
(CHEMBL3262523)
Show SMILES COc1ccc(Cn2cc(nn2)C(=O)NCCCCN2CCc3cc(OC)c(OC)cc3C2)cc1
Show InChI InChI=1S/C26H33N5O4/c1-33-22-8-6-19(7-9-22)16-31-18-23(28-29-31)26(32)27-11-4-5-12-30-13-10-20-14-24(34-2)25(35-3)15-21(20)17-30/h6-9,14-15,18H,4-5,10-13,16-17H2,1-3H3,(H,27,32)
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3.35E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from sigma-1 receptor in guinea pig brain membrane homogenate after 90 mins by liquid scintillation counting anal...


J Med Chem 57: 4239-51 (2014)


Article DOI: 10.1021/jm5001453
BindingDB Entry DOI: 10.7270/Q20P11KX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50016291
PNG
(CHEMBL3262788)
Show SMILES COc1cc2CCN(CCCCNC(=O)c3cc(ccc3OCC#C)C#N)Cc2cc1OC
Show InChI InChI=1S/C26H29N3O4/c1-4-13-33-23-8-7-19(17-27)14-22(23)26(30)28-10-5-6-11-29-12-9-20-15-24(31-2)25(32-3)16-21(20)18-29/h1,7-8,14-16H,5-6,9-13,18H2,2-3H3,(H,28,30)
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3.68E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from sigma-1 receptor in guinea pig brain membrane homogenate after 90 mins by liquid scintillation counting anal...


J Med Chem 57: 4239-51 (2014)


Article DOI: 10.1021/jm5001453
BindingDB Entry DOI: 10.7270/Q20P11KX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50016273
PNG
(CHEMBL3262524)
Show SMILES COc1cc2CCN(CCCCNC(=O)c3cn(Cc4ccccc4)nn3)Cc2cc1OC
Show InChI InChI=1S/C25H31N5O3/c1-32-23-14-20-10-13-29(17-21(20)15-24(23)33-2)12-7-6-11-26-25(31)22-18-30(28-27-22)16-19-8-4-3-5-9-19/h3-5,8-9,14-15,18H,6-7,10-13,16-17H2,1-2H3,(H,26,31)
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4.48E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from sigma-1 receptor in guinea pig brain membrane homogenate after 90 mins by liquid scintillation counting anal...


J Med Chem 57: 4239-51 (2014)


Article DOI: 10.1021/jm5001453
BindingDB Entry DOI: 10.7270/Q20P11KX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50137624
PNG
(5-Bromo-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...)
Show SMILES COc1cc2CCN(CCNC(=O)c3cc(Br)ccc3OC)Cc2cc1OC
Show InChI InChI=1S/C21H25BrN2O4/c1-26-18-5-4-16(22)12-17(18)21(25)23-7-9-24-8-6-14-10-19(27-2)20(28-3)11-15(14)13-24/h4-5,10-12H,6-9,13H2,1-3H3,(H,23,25)
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5.48E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 opioid receptor (unknown origin)


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50007872
PNG
(3-Ethyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxy...)
Show SMILES CCn1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O
Show InChI InChI=1/C18H24N4O2/c1-3-21-15-6-4-5-7-16(15)22(18(21)24)17(23)19-12-10-13-8-9-14(11-12)20(13)2/h4-7,12-14H,3,8-11H2,1-2H3,(H,19,23)
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6.30E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to guinea pig hippocampus sigma-1 opioid receptor


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50016294
PNG
(CHEMBL3262791)
Show SMILES COc1ccc(cc1C(=O)NCCCCN1CCc2cc(OC)c(OC)cc2C1)-n1cc(nn1)-c1cncn1C
Show InChI InChI=1S/C29H35N7O4/c1-34-19-30-16-25(34)24-18-36(33-32-24)22-7-8-26(38-2)23(15-22)29(37)31-10-5-6-11-35-12-9-20-13-27(39-3)28(40-4)14-21(20)17-35/h7-8,13-16,18-19H,5-6,9-12,17H2,1-4H3,(H,31,37)
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6.36E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from sigma-1 receptor in guinea pig brain membrane homogenate after 90 mins by liquid scintillation counting anal...


J Med Chem 57: 4239-51 (2014)


Article DOI: 10.1021/jm5001453
BindingDB Entry DOI: 10.7270/Q20P11KX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50006610
PNG
(CHEMBL3235468)
Show SMILES CN1CC[C@]2(C[C@@H]1\C(=C/c1ccc(Cl)c(Cl)c1)C(=O)C2)c1cccc(O)c1
Show InChI InChI=1/C22H21Cl2NO2/c1-25-8-7-22(15-3-2-4-16(26)11-15)12-20(25)17(21(27)13-22)9-14-5-6-18(23)19(24)10-14/h2-6,9-11,20,26H,7-8,12-13H2,1H3/b17-9+/t20-,22-/s2
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7.44E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 opioid receptor (unknown origin)


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50016261
PNG
(CHEMBL3262794)
Show SMILES CN1CC[C@@]2(CC\C(=C\c3ccc(Cl)c(Cl)c3)[C@@H]1C2)c1cccc(O)c1
Show InChI InChI=1/C22H23Cl2NO/c1-25-10-9-22(17-3-2-4-18(26)13-17)8-7-16(21(25)14-22)11-15-5-6-19(23)20(24)12-15/h2-6,11-13,21,26H,7-10,14H2,1H3/b16-11-/t21-,22+/s2
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7.46E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 receptor (unknown origin)


J Med Chem 57: 4239-51 (2014)


Article DOI: 10.1021/jm5001453
BindingDB Entry DOI: 10.7270/Q20P11KX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50016274
PNG
(CHEMBL3262525)
Show SMILES COc1cc2CCN(CCCCNC(=O)c3cn(Cc4cccc(O)c4)nn3)Cc2cc1OC
Show InChI InChI=1S/C25H31N5O4/c1-33-23-13-19-8-11-29(16-20(19)14-24(23)34-2)10-4-3-9-26-25(32)22-17-30(28-27-22)15-18-6-5-7-21(31)12-18/h5-7,12-14,17,31H,3-4,8-11,15-16H2,1-2H3,(H,26,32)
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8.08E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from sigma-1 receptor in guinea pig brain membrane homogenate after 90 mins by liquid scintillation counting anal...


J Med Chem 57: 4239-51 (2014)


Article DOI: 10.1021/jm5001453
BindingDB Entry DOI: 10.7270/Q20P11KX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50206577
PNG
(10-methoxyibogamine | CHEMBL222287 | IBOGAINE)
Show SMILES CC[C@H]1C[C@H]2C[C@@H]3[C@H]1N(C2)CCc1c3[nH]c2ccc(OC)cc12
Show InChI InChI=1/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13-,17-,20-/s2
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8.55E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 opioid receptor (unknown origin)


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50016287
PNG
(CHEMBL3262784)
Show SMILES COc1ccccc1Cn1cc(nn1)-c1ccc(cc1)C(=O)NCCCCN1CCc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C32H37N5O4/c1-39-29-9-5-4-8-26(29)21-37-22-28(34-35-37)23-10-12-24(13-11-23)32(38)33-15-6-7-16-36-17-14-25-18-30(40-2)31(41-3)19-27(25)20-36/h4-5,8-13,18-19,22H,6-7,14-17,20-21H2,1-3H3,(H,33,38)
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8.58E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from sigma-1 receptor in guinea pig brain membrane homogenate after 90 mins by liquid scintillation counting anal...


J Med Chem 57: 4239-51 (2014)


Article DOI: 10.1021/jm5001453
BindingDB Entry DOI: 10.7270/Q20P11KX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50384292
PNG
(CHEMBL2030624)
Show SMILES COc1ccc(CN2C3CCC2CC3)cc1OC
Show InChI InChI=1S/C15H21NO2/c1-17-14-8-3-11(9-15(14)18-2)10-16-12-4-5-13(16)7-6-12/h3,8-9,12-13H,4-7,10H2,1-2H3
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1.00E+4n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 opioid receptor (unknown origin)


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50359587
PNG
(CHEMBL1927694)
Show SMILES COc1ccc(C(=O)NCCCCN2CCc3ccc(cc3C2)[N+]([O-])=O)c(OC)c1OC
Show InChI InChI=1S/C23H29N3O6/c1-30-20-9-8-19(21(31-2)22(20)32-3)23(27)24-11-4-5-12-25-13-10-16-6-7-18(26(28)29)14-17(16)15-25/h6-9,14H,4-5,10-13,15H2,1-3H3,(H,24,27)
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1.03E+4n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 opioid receptor (unknown origin)


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50137617
PNG
(CHEMBL64260 | N-[2-(6,7-Dimethoxy-3,4-dihydro-1H-i...)
Show SMILES COc1cc2CCN(CCNC(=O)c3cc(C)ccc3OC)Cc2cc1OC
Show InChI InChI=1S/C22H28N2O4/c1-15-5-6-19(26-2)18(11-15)22(25)23-8-10-24-9-7-16-12-20(27-3)21(28-4)13-17(16)14-24/h5-6,11-13H,7-10,14H2,1-4H3,(H,23,25)
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1.04E+4n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 opioid receptor (unknown origin)


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50016269
PNG
(CHEMBL3262520)
Show SMILES COc1cc2CCN(CCCCNC(=O)c3c[nH]nn3)Cc2cc1OC
Show InChI InChI=1S/C18H25N5O3/c1-25-16-9-13-5-8-23(12-14(13)10-17(16)26-2)7-4-3-6-19-18(24)15-11-20-22-21-15/h9-11H,3-8,12H2,1-2H3,(H,19,24)(H,20,21,22)
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1.10E+4n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from sigma-1 receptor in guinea pig brain membrane homogenate after 90 mins by liquid scintillation counting anal...


J Med Chem 57: 4239-51 (2014)


Article DOI: 10.1021/jm5001453
BindingDB Entry DOI: 10.7270/Q20P11KX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50016288
PNG
(CHEMBL3262785)
Show SMILES COc1cccc(Cn2cc(nn2)-c2ccc(cc2)C(=O)NCCCCN2CCc3cc(OC)c(OC)cc3C2)c1
Show InChI InChI=1S/C32H37N5O4/c1-39-28-8-6-7-23(17-28)20-37-22-29(34-35-37)24-9-11-25(12-10-24)32(38)33-14-4-5-15-36-16-13-26-18-30(40-2)31(41-3)19-27(26)21-36/h6-12,17-19,22H,4-5,13-16,20-21H2,1-3H3,(H,33,38)
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1.15E+4n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from sigma-1 receptor in guinea pig brain membrane homogenate after 90 mins by liquid scintillation counting anal...


J Med Chem 57: 4239-51 (2014)


Article DOI: 10.1021/jm5001453
BindingDB Entry DOI: 10.7270/Q20P11KX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50016295
PNG
(CHEMBL3262792)
Show SMILES COc1cc2CCN(CCCCNC(=O)c3cc(ccc3OC)-n3cc(COCCOCCF)nn3)Cc2cc1OC
Show InChI InChI=1S/C30H40FN5O6/c1-38-27-7-6-25(36-20-24(33-34-36)21-42-15-14-41-13-9-31)18-26(27)30(37)32-10-4-5-11-35-12-8-22-16-28(39-2)29(40-3)17-23(22)19-35/h6-7,16-18,20H,4-5,8-15,19,21H2,1-3H3,(H,32,37)
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1.15E+4n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from sigma-1 receptor in guinea pig brain membrane homogenate after 90 mins by liquid scintillation counting anal...


J Med Chem 57: 4239-51 (2014)


Article DOI: 10.1021/jm5001453
BindingDB Entry DOI: 10.7270/Q20P11KX
More data for this
Ligand-Target Pair
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