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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50032415'   
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))
BDBM50032415
PNG
(3-Benzyl-8-chloro-6,11-dimethyl-1,2,3,4,5,6-hexahy...)
Show SMILES CC1C2Cc3ccc(Cl)cc3C1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C21H24ClN/c1-15-20-12-17-8-9-18(22)13-19(17)21(15,2)10-11-23(20)14-16-6-4-3-5-7-16/h3-9,13,15,20H,10-12,14H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
40n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50032415
PNG
(3-Benzyl-8-chloro-6,11-dimethyl-1,2,3,4,5,6-hexahy...)
Show SMILES CC1C2Cc3ccc(Cl)cc3C1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C21H24ClN/c1-15-20-12-17-8-9-18(22)13-19(17)21(15,2)10-11-23(20)14-16-6-4-3-5-7-16/h3-9,13,15,20H,10-12,14H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
40.1n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50032415
PNG
(3-Benzyl-8-chloro-6,11-dimethyl-1,2,3,4,5,6-hexahy...)
Show SMILES CC1C2Cc3ccc(Cl)cc3C1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C21H24ClN/c1-15-20-12-17-8-9-18(22)13-19(17)21(15,2)10-11-23(20)14-16-6-4-3-5-7-16/h3-9,13,15,20H,10-12,14H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
381n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at Sigma receptor type 2 on rat liver membranes receptor by [3H]DTG displacement.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50032415
PNG
(3-Benzyl-8-chloro-6,11-dimethyl-1,2,3,4,5,6-hexahy...)
Show SMILES CC1C2Cc3ccc(Cl)cc3C1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C21H24ClN/c1-15-20-12-17-8-9-18(22)13-19(17)21(15,2)10-11-23(20)14-16-6-4-3-5-7-16/h3-9,13,15,20H,10-12,14H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
381n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at Sigma receptor type 2 on rat liver membranes receptor by [3H]DTG displacement.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair