BindingDB logo
myBDB logout

PubMed code 26750254

Compile data set for download or QSAR
Found 7 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


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

UniProtKB/SwissProt

antibodypedia
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 Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 receptor (unknown origin) by radioligand displacement assay

Bioorg Med Chem Lett 26: 889-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.067
BindingDB Entry DOI: 10.7270/Q2BZ67W6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50140140
PNG
(CHEMBL3752701)
Show SMILES OC1CN(Cc2ccccc2)CCc2ccccc12
Show InChI InChI=1S/C17H19NO/c19-17-13-18(12-14-6-2-1-3-7-14)11-10-15-8-4-5-9-16(15)17/h1-9,17,19H,10-13H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 31n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 receptor (unknown origin) by radioligand displacement assay

Bioorg Med Chem Lett 26: 889-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.067
BindingDB Entry DOI: 10.7270/Q2BZ67W6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		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

antibodypedia
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 Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 receptor (unknown origin) by radioligand displacement assay

Bioorg Med Chem Lett 26: 889-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.067
BindingDB Entry DOI: 10.7270/Q2BZ67W6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50007677
PNG
((+)-threo 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydroxy...)
Show SMILES C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
 125n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 receptor (unknown origin) by radioligand displacement assay

Bioorg Med Chem Lett 26: 889-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.067
BindingDB Entry DOI: 10.7270/Q2BZ67W6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50331291
PNG
((+/-)-3-(4-Phenylbutyl)-2,3,4,5-tetrahydro-1H-3-be...)
Show SMILES OC1CN(CCCCc2ccccc2)CCc2cc(O)ccc12
Show InChI InChI=1S/C20H25NO2/c22-18-9-10-19-17(14-18)11-13-21(15-20(19)23)12-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9-10,14,20,22-23H,4-5,8,11-13,15H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 194n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 receptor (unknown origin) by radioligand displacement assay

Bioorg Med Chem Lett 26: 889-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.067
BindingDB Entry DOI: 10.7270/Q2BZ67W6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50140138
PNG
(CHEMBL3753409)
Show SMILES OC1CN(CCCCc2ccccc2)CCc2ccccc12
Show InChI InChI=1S/C20H25NO/c22-20-16-21(15-13-18-11-4-5-12-19(18)20)14-7-6-10-17-8-2-1-3-9-17/h1-5,8-9,11-12,20,22H,6-7,10,13-16H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 676n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 receptor (unknown origin) by radioligand displacement assay

Bioorg Med Chem Lett 26: 889-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.067
BindingDB Entry DOI: 10.7270/Q2BZ67W6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50140139
PNG
(CHEMBL3752293)
Show SMILES OC1CN(CCCc2ccccc2)CCc2ccccc12
Show InChI InChI=1S/C19H23NO/c21-19-15-20(13-6-9-16-7-2-1-3-8-16)14-12-17-10-4-5-11-18(17)19/h1-5,7-8,10-11,19,21H,6,9,12-15H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.20E+3n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 receptor (unknown origin) by radioligand displacement assay

Bioorg Med Chem Lett 26: 889-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.067
BindingDB Entry DOI: 10.7270/Q2BZ67W6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%