BindingDB logo
myBDB logout

PubMed code 28764962

Compile data set for download or QSAR
Found 90 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50145021
PNG
(1-Cyclohexyl-4-[4-(1,2,3,4-tetrahydro-naphthalen-1...)
Show SMILES C(CCN1CCN(CC1)C1CCCCC1)CC1CCCc2ccccc12
Show InChI InChI=1S/C24H38N2/c1-2-13-23(14-3-1)26-19-17-25(18-20-26)16-7-6-10-22-12-8-11-21-9-4-5-15-24(21)22/h4-5,9,15,22-23H,1-3,6-8,10-14,16-20H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.0360n/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 sigma1 receptor in guinea pig brain membranes

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260587
PNG
(CHEMBL4062642)
Show SMILES C[C@H]1CN(CC2CCCCC2)CCCN1Cc1ccccc1 |r|
Show InChI InChI=1S/C20H32N2/c1-18-15-21(16-19-9-4-2-5-10-19)13-8-14-22(18)17-20-11-6-3-7-12-20/h3,6-7,11-12,18-19H,2,4-5,8-10,13-17H2,1H3/t18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.220n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
 0.340n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260585
PNG
(CHEMBL4063826)
Show SMILES CCCCN1CCCN(Cc2ccccc2)[C@H](C)C1 |r|
Show InChI InChI=1S/C17H28N2/c1-3-4-11-18-12-8-13-19(16(2)14-18)15-17-9-6-5-7-10-17/h5-7,9-10,16H,3-4,8,11-15H2,1-2H3/t16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.370n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260591
PNG
(CHEMBL4084334)
Show SMILES C[C@@H]1CN(CC2CCCCC2)CCCN1Cc1ccccc1 |r|
Show InChI InChI=1S/C20H32N2/c1-18-15-21(16-19-9-4-2-5-10-19)13-8-14-22(18)17-20-11-6-3-7-12-20/h3,6-7,11-12,18-19H,2,4-5,8-10,13-17H2,1H3/t18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.380n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260586
PNG
(CHEMBL4065105)
Show SMILES COc1ccc(CN2CCCN(Cc3ccccc3)[C@H](C)C2)cc1 |r|
Show InChI InChI=1S/C21H28N2O/c1-18-15-22(16-20-9-11-21(24-2)12-10-20)13-6-14-23(18)17-19-7-4-3-5-8-19/h3-5,7-12,18H,6,13-17H2,1-2H3/t18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.510n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50044714
PNG
(1-Butyl-4-[2-(3,4-dichloro-phenyl)-ethyl]-piperazi...)
Show SMILES CCCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C16H24Cl2N2/c1-2-3-7-19-9-11-20(12-10-19)8-6-14-4-5-15(17)16(18)13-14/h4-5,13H,2-3,6-12H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260594
PNG
(CHEMBL4090896)
Show SMILES CCCCN1CCCN(Cc2ccccc2)[C@@H](C)C1 |r|
Show InChI InChI=1S/C17H28N2/c1-3-4-11-18-12-8-13-19(16(2)14-18)15-17-9-6-5-7-10-17/h5-7,9-10,16H,3-4,8,11-15H2,1-2H3/t16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.610n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260583
PNG
(CHEMBL4094304)
Show SMILES C[C@H]1CN(CCCCc2ccccc2)CCCN1Cc1ccccc1 |r|
Show InChI InChI=1S/C23H32N2/c1-21-19-24(16-9-8-13-22-11-4-2-5-12-22)17-10-18-25(21)20-23-14-6-3-7-15-23/h2-7,11-12,14-15,21H,8-10,13,16-20H2,1H3/t21-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.770n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260584
PNG
(CHEMBL4073697)
Show SMILES C[C@@H]1CN(CCCCc2ccccc2)CCCN1Cc1ccccc1 |r|
Show InChI InChI=1S/C23H32N2/c1-21-19-24(16-9-8-13-22-11-4-2-5-12-22)17-10-18-25(21)20-23-14-6-3-7-15-23/h2-7,11-12,14-15,21H,8-10,13,16-20H2,1H3/t21-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.830n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260582
PNG
(CHEMBL4086541)
Show SMILES COc1ccc(CN2CCCN(Cc3ccccc3)[C@@H](C)C2)cc1 |r|
Show InChI InChI=1S/C21H28N2O/c1-18-15-22(16-20-9-11-21(24-2)12-10-20)13-6-14-23(18)17-19-7-4-3-5-8-19/h3-5,7-12,18H,6,13-17H2,1-2H3/t18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.860n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260588
PNG
(CHEMBL4100774)
Show SMILES COc1ccc(CN2CCCN(CC3CCCCC3)C[C@@H]2C)cc1 |r|
Show InChI InChI=1S/C21H34N2O/c1-18-15-22(16-19-7-4-3-5-8-19)13-6-14-23(18)17-20-9-11-21(24-2)12-10-20/h9-12,18-19H,3-8,13-17H2,1-2H3/t18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260571
PNG
(CHEMBL4090350)
Show SMILES CCCCN1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C23H32N2/c1-2-3-15-24-16-10-17-25(19-22-13-8-5-9-14-22)23(20-24)18-21-11-6-4-7-12-21/h4-9,11-14,23H,2-3,10,15-20H2,1H3/t23-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.70n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260572
PNG
(CHEMBL4080042)
Show SMILES CCCCN1CCCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C23H32N2/c1-2-3-15-24-16-10-17-25(19-22-13-8-5-9-14-22)23(20-24)18-21-11-6-4-7-12-21/h4-9,11-14,23H,2-3,10,15-20H2,1H3/t23-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.90n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260589
PNG
(CHEMBL4074010)
Show SMILES C[C@H]1CN(CC2CCCCC2)CCCN1Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C20H31ClN2/c1-17-14-22(15-18-6-3-2-4-7-18)12-5-13-23(17)16-19-8-10-20(21)11-9-19/h8-11,17-18H,2-7,12-16H2,1H3/t17-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 4.90n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260580
PNG
(CHEMBL4098070)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6]-[#6]-[#7](-[#6]-c2ccccc2)-[#6@H](-[#6]-c2ccccc2)-[#6]-1 |r|
Show InChI InChI=1S/C24H32N2/c1-21(2)14-17-25-15-9-16-26(19-23-12-7-4-8-13-23)24(20-25)18-22-10-5-3-6-11-22/h3-8,10-14,24H,9,15-20H2,1-2H3/t24-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50035131
PNG
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)
Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1|
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
 5.70n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260590
PNG
(CHEMBL4099831)
Show SMILES CC(C)[C@H]1CN(CC2CCCCC2)CCCN1Cc1ccccc1 |r|
Show InChI InChI=1S/C22H36N2/c1-19(2)22-18-23(16-20-10-5-3-6-11-20)14-9-15-24(22)17-21-12-7-4-8-13-21/h4,7-8,12-13,19-20,22H,3,5-6,9-11,14-18H2,1-2H3/t22-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 6n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260573
PNG
(CHEMBL4077463)
Show SMILES CCCCN1CCCN(CCCCc2ccccc2)[C@@H](Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C26H38N2/c1-2-3-18-27-19-12-21-28(20-11-10-15-24-13-6-4-7-14-24)26(23-27)22-25-16-8-5-9-17-25/h4-9,13-14,16-17,26H,2-3,10-12,15,18-23H2,1H3/t26-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 6.20n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
 6.30n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260591
PNG
(CHEMBL4084334)
Show SMILES C[C@@H]1CN(CC2CCCCC2)CCCN1Cc1ccccc1 |r|
Show InChI InChI=1S/C20H32N2/c1-18-15-21(16-19-9-4-2-5-10-19)13-8-14-22(18)17-20-11-6-3-7-12-20/h3,6-7,11-12,18-19H,2,4-5,8-10,13-17H2,1H3/t18-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 7n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260587
PNG
(CHEMBL4062642)
Show SMILES C[C@H]1CN(CC2CCCCC2)CCCN1Cc1ccccc1 |r|
Show InChI InChI=1S/C20H32N2/c1-18-15-21(16-19-9-4-2-5-10-19)13-8-14-22(18)17-20-11-6-3-7-12-20/h3,6-7,11-12,18-19H,2,4-5,8-10,13-17H2,1H3/t18-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 7.40n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260583
PNG
(CHEMBL4094304)
Show SMILES C[C@H]1CN(CCCCc2ccccc2)CCCN1Cc1ccccc1 |r|
Show InChI InChI=1S/C23H32N2/c1-21-19-24(16-9-8-13-22-11-4-2-5-12-22)17-10-18-25(21)20-23-14-6-3-7-15-23/h2-7,11-12,14-15,21H,8-10,13,16-20H2,1H3/t21-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 8.60n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260574
PNG
(CHEMBL4075547)
Show SMILES CCCCN1CCCN(CCCCc2ccccc2)[C@H](Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C26H38N2/c1-2-3-18-27-19-12-21-28(20-11-10-15-24-13-6-4-7-14-24)26(23-27)22-25-16-8-5-9-17-25/h4-9,13-14,16-17,26H,2-3,10-12,15,18-23H2,1H3/t26-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 13n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
 14n/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 sigma1 receptor in guinea pig brain membranes

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50145021
PNG
(1-Cyclohexyl-4-[4-(1,2,3,4-tetrahydro-naphthalen-1...)
Show SMILES C(CCN1CCN(CC1)C1CCCCC1)CC1CCCc2ccccc12
Show InChI InChI=1S/C24H38N2/c1-2-13-23(14-3-1)26-19-17-25(18-20-26)16-7-6-10-22-12-8-11-21-9-4-5-15-24(21)22/h4-5,9,15,22-23H,1-3,6-8,10-14,16-20H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 15n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260576
PNG
(CHEMBL4078697)
Show SMILES CCCCN1CCCN(CCCC)[C@@H](Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C20H34N2/c1-3-5-13-21-14-10-16-22(15-6-4-2)20(18-21)17-19-11-8-7-9-12-19/h7-9,11-12,20H,3-6,10,13-18H2,1-2H3/t20-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 18n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260588
PNG
(CHEMBL4100774)
Show SMILES COc1ccc(CN2CCCN(CC3CCCCC3)C[C@@H]2C)cc1 |r|
Show InChI InChI=1S/C21H34N2O/c1-18-15-22(16-19-7-4-3-5-8-19)13-6-14-23(18)17-20-9-11-21(24-2)12-10-20/h9-12,18-19H,3-8,13-17H2,1-2H3/t18-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 19n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260592
PNG
(CHEMBL4081826)
Show SMILES COc1ccc(CN2CCCN(Cc3ccccc3)[C@H](C2)C(C)C)cc1 |r|
Show InChI InChI=1S/C23H32N2O/c1-19(2)23-18-24(16-21-10-12-22(26-3)13-11-21)14-7-15-25(23)17-20-8-5-4-6-9-20/h4-6,8-13,19,23H,7,14-18H2,1-3H3/t23-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 20n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260581
PNG
(CHEMBL4102976)
Show SMILES CCCCN1CCCN(CCCC)[C@H](Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C20H34N2/c1-3-5-13-21-14-10-16-22(15-6-4-2)20(18-21)17-19-11-8-7-9-12-19/h7-9,11-12,20H,3-6,10,13-18H2,1-2H3/t20-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 21n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260565
PNG
(CHEMBL4066655)
Show SMILES C(CN1CCCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1)Cc1ccccc1 |r|
Show InChI InChI=1S/C28H34N2/c1-4-12-25(13-5-1)18-10-19-29-20-11-21-30(23-27-16-8-3-9-17-27)28(24-29)22-26-14-6-2-7-15-26/h1-9,12-17,28H,10-11,18-24H2/t28-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 25n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260569
PNG
(CHEMBL4087471)
Show SMILES OCC(N1CCCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1)c1ccccc1 |r|
Show InChI InChI=1S/C27H32N2O/c30-22-27(25-15-8-3-9-16-25)29-18-10-17-28(20-24-13-6-2-7-14-24)26(21-29)19-23-11-4-1-5-12-23/h1-9,11-16,26-27,30H,10,17-22H2/t26-,27?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 27n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260566
PNG
(CHEMBL4093254)
Show SMILES C(CCc1ccccc1)CN1CCCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C29H36N2/c1-4-13-26(14-5-1)15-10-11-20-30-21-12-22-31(24-28-18-8-3-9-19-28)29(25-30)23-27-16-6-2-7-17-27/h1-9,13-14,16-19,29H,10-12,15,20-25H2/t29-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 28n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260577
PNG
(CHEMBL4083666)
Show SMILES COc1ccc(CN2CCCN(Cc3ccccc3)[C@@H](Cc3ccccc3)C2)cc1 |r|
Show InChI InChI=1S/C27H32N2O/c1-30-27-15-13-25(14-16-27)20-28-17-8-18-29(21-24-11-6-3-7-12-24)26(22-28)19-23-9-4-2-5-10-23/h2-7,9-16,26H,8,17-22H2,1H3/t26-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 29n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260595
PNG
(CHEMBL4094187)
Show SMILES C(CCc1ccccc1)CN1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C29H36N2/c1-4-13-26(14-5-1)15-10-11-20-30-21-12-22-31(24-28-18-8-3-9-19-28)29(25-30)23-27-16-6-2-7-17-27/h1-9,13-14,16-19,29H,10-12,15,20-25H2/t29-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 38n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50267386
PNG
((R)-(1,4-dibenzylpiperazin-2-yl)methanol | CHEMBL4...)
Show SMILES OC[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1 |r|
Show InChI InChI=1S/C19H24N2O/c22-16-19-15-20(13-17-7-3-1-4-8-17)11-12-21(19)14-18-9-5-2-6-10-18/h1-10,19,22H,11-16H2/t19-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 38n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260578
PNG
(CHEMBL4078572)
Show SMILES C(Cc1ccccc1)N1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C27H32N2/c1-4-11-24(12-5-1)17-20-28-18-10-19-29(22-26-15-8-3-9-16-26)27(23-28)21-25-13-6-2-7-14-25/h1-9,11-16,27H,10,17-23H2/t27-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260560
PNG
(CHEMBL4097642)
Show SMILES COc1ccc(CN2CCCN(Cc3ccccc3)[C@H](Cc3ccccc3)C2)cc1 |r|
Show InChI InChI=1S/C27H32N2O/c1-30-27-15-13-25(14-16-27)20-28-17-8-18-29(21-24-11-6-3-7-12-24)26(22-28)19-23-9-4-2-5-10-23/h2-7,9-16,26H,8,17-22H2,1H3/t26-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 42n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260582
PNG
(CHEMBL4086541)
Show SMILES COc1ccc(CN2CCCN(Cc3ccccc3)[C@@H](C)C2)cc1 |r|
Show InChI InChI=1S/C21H28N2O/c1-18-15-22(16-20-9-11-21(24-2)12-10-20)13-6-14-23(18)17-19-7-4-3-5-8-19/h3-5,7-12,18H,6,13-17H2,1-2H3/t18-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 46n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260589
PNG
(CHEMBL4074010)
Show SMILES C[C@H]1CN(CC2CCCCC2)CCCN1Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C20H31ClN2/c1-17-14-22(15-18-6-3-2-4-7-18)12-5-13-23(17)16-19-8-10-20(21)11-9-19/h8-11,17-18H,2-7,12-16H2,1H3/t17-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 51n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260579
PNG
(CHEMBL4087925)
Show SMILES OC(CN1CCCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1)c1ccccc1 |r|
Show InChI InChI=1S/C27H32N2O/c30-27(25-15-8-3-9-16-25)22-28-17-10-18-29(20-24-13-6-2-7-14-24)26(21-28)19-23-11-4-1-5-12-23/h1-9,11-16,26-27,30H,10,17-22H2/t26-,27?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 51n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260563
PNG
(CHEMBL4075270)
Show SMILES C(Cc1ccccc1)N1CCCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C27H32N2/c1-4-11-24(12-5-1)17-20-28-18-10-19-29(22-26-15-8-3-9-16-26)27(23-28)21-25-13-6-2-7-14-25/h1-9,11-16,27H,10,17-23H2/t27-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 52n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50009307
PNG
(DITOLYLGUANIDINE | Di-o-tolylguanidine)
Show SMILES Cc1ccccc1NC(=N)Nc1ccccc1C
Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
 58n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260561
PNG
(CHEMBL4071325)
Show SMILES C([C@H]1CN(Cc2ccccc2)CCCN1Cc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H30N2/c1-4-11-23(12-5-1)19-26-22-27(20-24-13-6-2-7-14-24)17-10-18-28(26)21-25-15-8-3-9-16-25/h1-9,11-16,26H,10,17-22H2/t26-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260584
PNG
(CHEMBL4073697)
Show SMILES C[C@@H]1CN(CCCCc2ccccc2)CCCN1Cc1ccccc1 |r|
Show InChI InChI=1S/C23H32N2/c1-21-19-24(16-9-8-13-22-11-4-2-5-12-22)17-10-18-25(21)20-23-14-6-3-7-15-23/h2-7,11-12,14-15,21H,8-10,13,16-20H2,1H3/t21-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260564
PNG
(CHEMBL4101921)
Show SMILES C(CN1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1)Cc1ccccc1 |r|
Show InChI InChI=1S/C28H34N2/c1-4-12-25(13-5-1)18-10-19-29-20-11-21-30(23-27-16-8-3-9-17-27)28(24-29)22-26-14-6-2-7-15-26/h1-9,12-17,28H,10-11,18-24H2/t28-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 73n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
 78n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260562
PNG
(CHEMBL4093286)
Show SMILES C([C@@H]1CN(Cc2ccccc2)CCCN1Cc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H30N2/c1-4-11-23(12-5-1)19-26-22-27(20-24-13-6-2-7-14-24)17-10-18-28(26)21-25-15-8-3-9-16-25/h1-9,11-16,26H,10,17-22H2/t26-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 80n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50009307
PNG
(DITOLYLGUANIDINE | Di-o-tolylguanidine)
Show SMILES Cc1ccccc1NC(=N)Nc1ccccc1C
Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
 89n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260593
PNG
(CHEMBL4084922)
Show SMILES CCCCN1CCCN(C)[C@H](Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C17H28N2/c1-3-4-12-19-13-8-11-18(2)17(15-19)14-16-9-6-5-7-10-16/h5-7,9-10,17H,3-4,8,11-15H2,1-2H3/t17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 113n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260575
PNG
(CHEMBL4062428)
Show SMILES CCCCN1CCCN(C)[C@@H](Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C17H28N2/c1-3-4-12-19-13-8-11-18(2)17(15-19)14-16-9-6-5-7-10-16/h5-7,9-10,17H,3-4,8,11-15H2,1-2H3/t17-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 120n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260572
PNG
(CHEMBL4080042)
Show SMILES CCCCN1CCCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C23H32N2/c1-2-3-15-24-16-10-17-25(19-22-13-8-5-9-14-22)23(20-24)18-21-11-6-4-7-12-21/h4-9,11-14,23H,2-3,10,15-20H2,1H3/t23-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 169n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260564
PNG
(CHEMBL4101921)
Show SMILES C(CN1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1)Cc1ccccc1 |r|
Show InChI InChI=1S/C28H34N2/c1-4-12-25(13-5-1)18-10-19-29-20-11-21-30(23-27-16-8-3-9-17-27)28(24-29)22-26-14-6-2-7-15-26/h1-9,12-17,28H,10-11,18-24H2/t28-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 193n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260568
PNG
(CHEMBL4059616)
Show SMILES OCC(N1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1)c1ccccc1 |r|
Show InChI InChI=1S/C27H32N2O/c30-22-27(25-15-8-3-9-16-25)29-18-10-17-28(20-24-13-6-2-7-14-24)26(21-29)19-23-11-4-1-5-12-23/h1-9,11-16,26-27,30H,10,17-22H2/t26-,27?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 228n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260567
PNG
(CHEMBL4077164)
Show SMILES OC(CN1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1)c1ccccc1 |r|
Show InChI InChI=1S/C27H32N2O/c30-27(25-15-8-3-9-16-25)22-28-17-10-18-29(20-24-13-6-2-7-14-24)26(21-28)19-23-11-4-1-5-12-23/h1-9,11-16,26-27,30H,10,17-22H2/t26-,27?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 234n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260571
PNG
(CHEMBL4090350)
Show SMILES CCCCN1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C23H32N2/c1-2-3-15-24-16-10-17-25(19-22-13-8-5-9-14-22)23(20-24)18-21-11-6-4-7-12-21/h4-9,11-14,23H,2-3,10,15-20H2,1H3/t23-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 238n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260594
PNG
(CHEMBL4090896)
Show SMILES CCCCN1CCCN(Cc2ccccc2)[C@@H](C)C1 |r|
Show InChI InChI=1S/C17H28N2/c1-3-4-11-18-12-8-13-19(16(2)14-18)15-17-9-6-5-7-10-17/h5-7,9-10,16H,3-4,8,11-15H2,1-2H3/t16-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 276n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260576
PNG
(CHEMBL4078697)
Show SMILES CCCCN1CCCN(CCCC)[C@@H](Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C20H34N2/c1-3-5-13-21-14-10-16-22(15-6-4-2)20(18-21)17-19-11-8-7-9-12-19/h7-9,11-12,20H,3-6,10,13-18H2,1-2H3/t20-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 278n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260596
PNG
(CHEMBL4069312)
Show SMILES CN1CCCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C20H26N2/c1-21-13-8-14-22(16-19-11-6-3-7-12-19)20(17-21)15-18-9-4-2-5-10-18/h2-7,9-12,20H,8,13-17H2,1H3/t20-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 280n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260565
PNG
(CHEMBL4066655)
Show SMILES C(CN1CCCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1)Cc1ccccc1 |r|
Show InChI InChI=1S/C28H34N2/c1-4-12-25(13-5-1)18-10-19-29-20-11-21-30(23-27-16-8-3-9-17-27)28(24-29)22-26-14-6-2-7-15-26/h1-9,12-17,28H,10-11,18-24H2/t28-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 300n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260580
PNG
(CHEMBL4098070)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6]-[#6]-[#7](-[#6]-c2ccccc2)-[#6@H](-[#6]-c2ccccc2)-[#6]-1 |r|
Show InChI InChI=1S/C24H32N2/c1-21(2)14-17-25-15-9-16-26(19-23-12-7-4-8-13-23)24(20-25)18-22-10-5-3-6-11-22/h3-8,10-14,24H,9,15-20H2,1-2H3/t24-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 325n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260595
PNG
(CHEMBL4094187)
Show SMILES C(CCc1ccccc1)CN1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C29H36N2/c1-4-13-26(14-5-1)15-10-11-20-30-21-12-22-31(24-28-18-8-3-9-19-28)29(25-30)23-27-16-6-2-7-17-27/h1-9,13-14,16-19,29H,10-12,15,20-25H2/t29-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 372n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260585
PNG
(CHEMBL4063826)
Show SMILES CCCCN1CCCN(Cc2ccccc2)[C@H](C)C1 |r|
Show InChI InChI=1S/C17H28N2/c1-3-4-11-18-12-8-13-19(16(2)14-18)15-17-9-6-5-7-10-17/h5-7,9-10,16H,3-4,8,11-15H2,1-2H3/t16-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 372n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260566
PNG
(CHEMBL4093254)
Show SMILES C(CCc1ccccc1)CN1CCCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C29H36N2/c1-4-13-26(14-5-1)15-10-11-20-30-21-12-22-31(24-28-18-8-3-9-19-28)29(25-30)23-27-16-6-2-7-17-27/h1-9,13-14,16-19,29H,10-12,15,20-25H2/t29-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 423n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260560
PNG
(CHEMBL4097642)
Show SMILES COc1ccc(CN2CCCN(Cc3ccccc3)[C@H](Cc3ccccc3)C2)cc1 |r|
Show InChI InChI=1S/C27H32N2O/c1-30-27-15-13-25(14-16-27)20-28-17-8-18-29(21-24-11-6-3-7-12-24)26(22-28)19-23-9-4-2-5-10-23/h2-7,9-16,26H,8,17-22H2,1H3/t26-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 426n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260578
PNG
(CHEMBL4078572)
Show SMILES C(Cc1ccccc1)N1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C27H32N2/c1-4-11-24(12-5-1)17-20-28-18-10-19-29(22-26-15-8-3-9-16-26)27(23-28)21-25-13-6-2-7-14-25/h1-9,11-16,27H,10,17-23H2/t27-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 426n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260586
PNG
(CHEMBL4065105)
Show SMILES COc1ccc(CN2CCCN(Cc3ccccc3)[C@H](C)C2)cc1 |r|
Show InChI InChI=1S/C21H28N2O/c1-18-15-22(16-20-9-11-21(24-2)12-10-20)13-6-14-23(18)17-19-7-4-3-5-8-19/h3-5,7-12,18H,6,13-17H2,1-2H3/t18-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 431n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260570
PNG
(CHEMBL4065245)
Show SMILES CN1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C20H26N2/c1-21-13-8-14-22(16-19-11-6-3-7-12-19)20(17-21)15-18-9-4-2-5-10-18/h2-7,9-12,20H,8,13-17H2,1H3/t20-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 448n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260562
PNG
(CHEMBL4093286)
Show SMILES C([C@@H]1CN(Cc2ccccc2)CCCN1Cc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H30N2/c1-4-11-23(12-5-1)19-26-22-27(20-24-13-6-2-7-14-24)17-10-18-28(26)21-25-15-8-3-9-16-25/h1-9,11-16,26H,10,17-22H2/t26-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 514n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260567
PNG
(CHEMBL4077164)
Show SMILES OC(CN1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1)c1ccccc1 |r|
Show InChI InChI=1S/C27H32N2O/c30-27(25-15-8-3-9-16-25)22-28-17-10-18-29(20-24-13-6-2-7-14-24)26(21-28)19-23-11-4-1-5-12-23/h1-9,11-16,26-27,30H,10,17-22H2/t26-,27?/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 903n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260574
PNG
(CHEMBL4075547)
Show SMILES CCCCN1CCCN(CCCCc2ccccc2)[C@H](Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C26H38N2/c1-2-3-18-27-19-12-21-28(20-11-10-15-24-13-6-4-7-14-24)26(23-27)22-25-16-8-5-9-17-25/h4-9,13-14,16-17,26H,2-3,10-12,15,18-23H2,1H3/t26-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 942n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260570
PNG
(CHEMBL4065245)
Show SMILES CN1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C20H26N2/c1-21-13-8-14-22(16-19-11-6-3-7-12-19)20(17-21)15-18-9-4-2-5-10-18/h2-7,9-12,20H,8,13-17H2,1H3/t20-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+3n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260575
PNG
(CHEMBL4062428)
Show SMILES CCCCN1CCCN(C)[C@@H](Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C17H28N2/c1-3-4-12-19-13-8-11-18(2)17(15-19)14-16-9-6-5-7-10-16/h5-7,9-10,17H,3-4,8,11-15H2,1-2H3/t17-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+3n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260558
PNG
(CHEMBL4068411)
Show SMILES C([C@H]1CNCCCN1Cc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H24N2/c1-3-8-17(9-4-1)14-19-15-20-12-7-13-21(19)16-18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2/t19-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+3n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260559
PNG
(CHEMBL4061903)
Show SMILES C([C@@H]1CNCCCN1Cc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H24N2/c1-3-8-17(9-4-1)14-19-15-20-12-7-13-21(19)16-18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2/t19-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+3n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260568
PNG
(CHEMBL4059616)
Show SMILES OCC(N1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1)c1ccccc1 |r|
Show InChI InChI=1S/C27H32N2O/c30-22-27(25-15-8-3-9-16-25)29-18-10-17-28(20-24-13-6-2-7-14-24)26(21-29)19-23-11-4-1-5-12-23/h1-9,11-16,26-27,30H,10,17-22H2/t26-,27?/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+3n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260573
PNG
(CHEMBL4077463)
Show SMILES CCCCN1CCCN(CCCCc2ccccc2)[C@@H](Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C26H38N2/c1-2-3-18-27-19-12-21-28(20-11-10-15-24-13-6-4-7-14-24)26(23-27)22-25-16-8-5-9-17-25/h4-9,13-14,16-17,26H,2-3,10-12,15,18-23H2,1H3/t26-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+3n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260563
PNG
(CHEMBL4075270)
Show SMILES C(Cc1ccccc1)N1CCCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C27H32N2/c1-4-11-24(12-5-1)17-20-28-18-10-19-29(22-26-15-8-3-9-16-26)27(23-28)21-25-13-6-2-7-14-25/h1-9,11-16,27H,10,17-23H2/t27-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+3n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260577
PNG
(CHEMBL4083666)
Show SMILES COc1ccc(CN2CCCN(Cc3ccccc3)[C@@H](Cc3ccccc3)C2)cc1 |r|
Show InChI InChI=1S/C27H32N2O/c1-30-27-15-13-25(14-16-27)20-28-17-8-18-29(21-24-11-6-3-7-12-24)26(22-28)19-23-9-4-2-5-10-23/h2-7,9-16,26H,8,17-22H2,1H3/t26-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+3n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260596
PNG
(CHEMBL4069312)
Show SMILES CN1CCCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C20H26N2/c1-21-13-8-14-22(16-19-11-6-3-7-12-19)20(17-21)15-18-9-4-2-5-10-18/h2-7,9-12,20H,8,13-17H2,1H3/t20-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+3n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50260559
PNG
(CHEMBL4061903)
Show SMILES C([C@@H]1CNCCCN1Cc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H24N2/c1-3-8-17(9-4-1)14-19-15-20-12-7-13-21(19)16-18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2/t19-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+3n/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 sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260590
PNG
(CHEMBL4099831)
Show SMILES CC(C)[C@H]1CN(CC2CCCCC2)CCCN1Cc1ccccc1 |r|
Show InChI InChI=1S/C22H36N2/c1-19(2)22-18-23(16-20-10-5-3-6-11-20)14-9-15-24(22)17-21-12-7-4-8-13-21/h4,7-8,12-13,19-20,22H,3,5-6,9-11,14-18H2,1-2H3/t22-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+3n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260579
PNG
(CHEMBL4087925)
Show SMILES OC(CN1CCCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1)c1ccccc1 |r|
Show InChI InChI=1S/C27H32N2O/c30-27(25-15-8-3-9-16-25)22-28-17-10-18-29(20-24-13-6-2-7-14-24)26(21-28)19-23-11-4-1-5-12-23/h1-9,11-16,26-27,30H,10,17-22H2/t26-,27?/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+3n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260581
PNG
(CHEMBL4102976)
Show SMILES CCCCN1CCCN(CCCC)[C@H](Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C20H34N2/c1-3-5-13-21-14-10-16-22(15-6-4-2)20(18-21)17-19-11-8-7-9-12-19/h7-9,11-12,20H,3-6,10,13-18H2,1-2H3/t20-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+3n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260569
PNG
(CHEMBL4087471)
Show SMILES OCC(N1CCCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1)c1ccccc1 |r|
Show InChI InChI=1S/C27H32N2O/c30-22-27(25-15-8-3-9-16-25)29-18-10-17-28(20-24-13-6-2-7-14-24)26(21-29)19-23-11-4-1-5-12-23/h1-9,11-16,26-27,30H,10,17-22H2/t26-,27?/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+3n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260561
PNG
(CHEMBL4071325)
Show SMILES C([C@H]1CN(Cc2ccccc2)CCCN1Cc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H30N2/c1-4-11-23(12-5-1)19-26-22-27(20-24-13-6-2-7-14-24)17-10-18-28(26)21-25-15-8-3-9-16-25/h1-9,11-16,26H,10,17-22H2/t26-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+3n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260592
PNG
(CHEMBL4081826)
Show SMILES COc1ccc(CN2CCCN(Cc3ccccc3)[C@H](C2)C(C)C)cc1 |r|
Show InChI InChI=1S/C23H32N2O/c1-19(2)23-18-24(16-21-10-12-22(26-3)13-11-21)14-7-15-25(23)17-20-8-5-4-6-9-20/h4-6,8-13,19,23H,7,14-18H2,1-3H3/t23-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+3n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260593
PNG
(CHEMBL4084922)
Show SMILES CCCCN1CCCN(C)[C@H](Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C17H28N2/c1-3-4-12-19-13-8-11-18(2)17(15-19)14-16-9-6-5-7-10-16/h5-7,9-10,17H,3-4,8,11-15H2,1-2H3/t17-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.00E+3n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50260558
PNG
(CHEMBL4068411)
Show SMILES C([C@H]1CNCCCN1Cc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H24N2/c1-3-8-17(9-4-1)14-19-15-20-12-7-13-21(19)16-18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2/t19-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/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]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))		BDBM50260582
PNG
(CHEMBL4086541)
Show SMILES COc1ccc(CN2CCCN(Cc3ccccc3)[C@@H](C)C2)cc1 |r|
Show InChI InChI=1S/C21H28N2O/c1-18-15-22(16-20-9-11-21(24-2)12-10-20)13-6-14-23(18)17-19-7-4-3-5-8-19/h3-5,7-12,18H,6,13-17H2,1-2H3/t18-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.00E+3n/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 [125I]-aminopotentidine receptor from histamine H2 receptor (unknown origin)

Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%