BindingDB logo
myBDB logout

PubMed code 23566245

Compile data set for download or QSAR
Found 15 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


(RAT)		BDBM50259004
PNG
(1'-[4-Fluorobenzyl]-3H-spiro[[2]benzofuran-1,4'pip...)
Show SMILES Fc1ccc(CN2CCC3(CC2)OCc2ccccc32)cc1
Show InChI InChI=1S/C19H20FNO/c20-17-7-5-15(6-8-17)13-21-11-9-19(10-12-21)18-4-2-1-3-16(18)14-22-19/h1-8H,9-14H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.580n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from rat brain sigma1 receptor by competitive binding assay

J Med Chem 56: 3478-91 (2013)


Article DOI: 10.1021/jm301734g
BindingDB Entry DOI: 10.7270/Q28W3FN3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50058020
PNG
(4-[1-((E)-3-Iodo-allyl)-piperidin-4-ylmethoxy]-ben...)
Show SMILES I\C=C\CN1CCC(COc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C16H19IN2O/c17-8-1-9-19-10-6-15(7-11-19)13-20-16-4-2-14(12-18)3-5-16/h1-5,8,15H,6-7,9-11,13H2/b8-1+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.670n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals Beijing Normal University

Curated by ChEMBL


Assay Description
Binding affinity to human brain sigma1 receptor

J Med Chem 56: 3478-91 (2013)


Article DOI: 10.1021/jm301734g
BindingDB Entry DOI: 10.7270/Q28W3FN3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50432550
PNG
(CHEMBL2347001)
Show SMILES FCCOc1ccc(CN2CCC3(CC2)OCc2ccccc32)cc1
Show InChI InChI=1S/C21H24FNO2/c22-11-14-24-19-7-5-17(6-8-19)15-23-12-9-21(10-13-23)20-4-2-1-3-18(20)16-25-21/h1-8H,9-16H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.790n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from rat brain sigma1 receptor by competitive binding assay

J Med Chem 56: 3478-91 (2013)


Article DOI: 10.1021/jm301734g
BindingDB Entry DOI: 10.7270/Q28W3FN3
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase


(Homo sapiens (Human))		BDBM50338990
PNG
(1-(3,4-dimethoxyphenethyl)-4-(3-phenylpropyl)piper...)
Show SMILES COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC
Show InChI InChI=1S/C23H32N2O2/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 1.70n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals Beijing Normal University

Curated by ChEMBL


Assay Description
Binding affinity to EBP (unknown origin)

J Med Chem 56: 3478-91 (2013)


Article DOI: 10.1021/jm301734g
BindingDB Entry DOI: 10.7270/Q28W3FN3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50432555
PNG
(CHEMBL2347002)
Show SMILES COc1ccc(CN2CCC3(CC2)OCc2ccccc32)cc1
Show InChI InChI=1S/C20H23NO2/c1-22-18-8-6-16(7-9-18)14-21-12-10-20(11-13-21)19-5-3-2-4-17(19)15-23-20/h2-9H,10-15H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.70n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from rat brain sigma1 receptor by competitive binding assay

J Med Chem 56: 3478-91 (2013)


Article DOI: 10.1021/jm301734g
BindingDB Entry DOI: 10.7270/Q28W3FN3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50432554
PNG
(CHEMBL2347000)
Show SMILES FCCOc1ccc(CN2CCC3(CC2)OCc2ccccc32)cn1
Show InChI InChI=1S/C20H23FN2O2/c21-9-12-24-19-6-5-16(13-22-19)14-23-10-7-20(8-11-23)18-4-2-1-3-17(18)15-25-20/h1-6,13H,7-12,14-15H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 2.30n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from rat brain sigma1 receptor by competitive binding assay

J Med Chem 56: 3478-91 (2013)


Article DOI: 10.1021/jm301734g
BindingDB Entry DOI: 10.7270/Q28W3FN3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50432551
PNG
(CHEMBL2346997)
Show SMILES Ic1ccc(CN2CCC3(CC2)OCc2ccccc32)cc1
Show InChI InChI=1S/C19H20INO/c20-17-7-5-15(6-8-17)13-21-11-9-19(10-12-21)18-4-2-1-3-16(18)14-22-19/h1-8H,9-14H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.80n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from rat brain sigma1 receptor by competitive binding assay

J Med Chem 56: 3478-91 (2013)


Article DOI: 10.1021/jm301734g
BindingDB Entry DOI: 10.7270/Q28W3FN3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50432551
PNG
(CHEMBL2346997)
Show SMILES Ic1ccc(CN2CCC3(CC2)OCc2ccccc32)cc1
Show InChI InChI=1S/C19H20INO/c20-17-7-5-15(6-8-17)13-21-11-9-19(10-12-21)18-4-2-1-3-16(18)14-22-19/h1-8H,9-14H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.80n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals Beijing Normal University

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor (unknown origin)

J Med Chem 56: 3478-91 (2013)


Article DOI: 10.1021/jm301734g
BindingDB Entry DOI: 10.7270/Q28W3FN3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50058017
PNG
(4-[1-(3-Fluoro-propyl)-piperidin-4-ylmethoxy]-benz...)
Show SMILES FCCCN1CCC(COc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C16H21FN2O/c17-8-1-9-19-10-6-15(7-11-19)13-20-16-4-2-14(12-18)3-5-16/h2-5,15H,1,6-11,13H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 4.30n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals Beijing Normal University

Curated by ChEMBL


Assay Description
Binding affinity to human brain sigma1 receptor

J Med Chem 56: 3478-91 (2013)


Article DOI: 10.1021/jm301734g
BindingDB Entry DOI: 10.7270/Q28W3FN3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50338990
PNG
(1-(3,4-dimethoxyphenethyl)-4-(3-phenylpropyl)piper...)
Show SMILES COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC
Show InChI InChI=1S/C23H32N2O2/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 4.40n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals Beijing Normal University

Curated by ChEMBL


Assay Description
Binding affinity to human brain sigma1 receptor

J Med Chem 56: 3478-91 (2013)


Article DOI: 10.1021/jm301734g
BindingDB Entry DOI: 10.7270/Q28W3FN3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
 5n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from rat brain sigma1 receptor by competitive binding assay

J Med Chem 56: 3478-91 (2013)


Article DOI: 10.1021/jm301734g
BindingDB Entry DOI: 10.7270/Q28W3FN3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50432552
PNG
(CHEMBL2346998)
Show SMILES FCCOCCOCCOc1ccc(CN2CCC3(CC2)OCc2ccccc32)cc1
Show InChI InChI=1S/C25H32FNO4/c26-11-14-28-15-16-29-17-18-30-23-7-5-21(6-8-23)19-27-12-9-25(10-13-27)24-4-2-1-3-22(24)20-31-25/h1-8H,9-20H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 38n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from rat brain sigma1 receptor by competitive binding assay

J Med Chem 56: 3478-91 (2013)


Article DOI: 10.1021/jm301734g
BindingDB Entry DOI: 10.7270/Q28W3FN3
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Rattus norvegicus)		BDBM50338990
PNG
(1-(3,4-dimethoxyphenethyl)-4-(3-phenylpropyl)piper...)
Show SMILES COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC
Show InChI InChI=1S/C23H32N2O2/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 50n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals Beijing Normal University

Curated by ChEMBL


Assay Description
Binding affinity to rat VAChT

J Med Chem 56: 3478-91 (2013)


Article DOI: 10.1021/jm301734g
BindingDB Entry DOI: 10.7270/Q28W3FN3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50432553
PNG
(CHEMBL2346999)
Show SMILES FCCOCCOc1ccc(CN2CCC3(CC2)OCc2ccccc32)cc1
Show InChI InChI=1S/C23H28FNO3/c24-11-14-26-15-16-27-21-7-5-19(6-8-21)17-25-12-9-23(10-13-25)22-4-2-1-3-20(22)18-28-23/h1-8H,9-18H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 53n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from rat brain sigma1 receptor by competitive binding assay

J Med Chem 56: 3478-91 (2013)


Article DOI: 10.1021/jm301734g
BindingDB Entry DOI: 10.7270/Q28W3FN3
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Rattus norvegicus)		BDBM50432550
PNG
(CHEMBL2347001)
Show SMILES FCCOc1ccc(CN2CCC3(CC2)OCc2ccccc32)cc1
Show InChI InChI=1S/C21H24FNO2/c22-11-14-24-19-7-5-17(6-8-19)15-23-12-9-21(10-13-23)20-4-2-1-3-18(20)16-25-21/h1-8H,9-16H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 631n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of (-)-[3H]-vesamicol from rat VAChT transfected in rat PC12 cells after 120 mins by competitive binding assay

J Med Chem 56: 3478-91 (2013)


Article DOI: 10.1021/jm301734g
BindingDB Entry DOI: 10.7270/Q28W3FN3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%