BindingDB logo
myBDB logout

PubMed code 23415062

Compile data set for download or QSAR
Found 13 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-1 receptor


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

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma 1 receptor in Dunkin guinea pig brain membrane without cerebellum by competition binding assay


Bioorg Med Chem 21: 1865-9 (2013)


Article DOI: 10.1016/j.bmc.2013.01.034
BindingDB Entry DOI: 10.7270/Q2S75HP7
More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM50179267
PNG
(1-(4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1ccc2C(CCCCN3CCCCC3(C)C)CCCc2c1
Show InChI InChI=1S/C22H35NO/c1-22(2)14-5-7-16-23(22)15-6-4-9-18-10-8-11-19-17-20(24-3)12-13-21(18)19/h12-13,17-18H,4-11,14-16H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma 1 receptor in Dunkin guinea pig brain membrane without cerebellum by competition binding assay


Bioorg Med Chem 21: 1865-9 (2013)


Article DOI: 10.1016/j.bmc.2013.01.034
BindingDB Entry DOI: 10.7270/Q2S75HP7
More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM50431625
PNG
(CHEMBL2349069)
Show SMILES COc1ccc2c(CCCN3[C@@H](C)CCC[C@H]3C)cccc2c1
Show InChI InChI=1S/C21H29NO/c1-16-7-4-8-17(2)22(16)14-6-11-18-9-5-10-19-15-20(23-3)12-13-21(18)19/h5,9-10,12-13,15-17H,4,6-8,11,14H2,1-3H3/t16-,17+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma 1 receptor in Dunkin guinea pig brain membrane without cerebellum by competition binding assay


Bioorg Med Chem 21: 1865-9 (2013)


Article DOI: 10.1016/j.bmc.2013.01.034
BindingDB Entry DOI: 10.7270/Q2S75HP7
More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM50431628
PNG
(CHEMBL2349072)
Show SMILES COc1ccc2C(CCCCN3[C@@H](C)CCC[C@H]3C)CCCc2c1
Show InChI InChI=1S/C22H35NO/c1-17-8-6-9-18(2)23(17)15-5-4-10-19-11-7-12-20-16-21(24-3)13-14-22(19)20/h13-14,16-19H,4-12,15H2,1-3H3/t17-,18+,19?
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma 1 receptor in Dunkin guinea pig brain membrane without cerebellum by competition binding assay


Bioorg Med Chem 21: 1865-9 (2013)


Article DOI: 10.1016/j.bmc.2013.01.034
BindingDB Entry DOI: 10.7270/Q2S75HP7
More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM50431624
PNG
(CHEMBL2349068)
Show SMILES COc1ccc2c(CCCCN3[C@@H](C)CCC[C@H]3C)cccc2c1
Show InChI InChI=1S/C22H31NO/c1-17-8-6-9-18(2)23(17)15-5-4-10-19-11-7-12-20-16-21(24-3)13-14-22(19)20/h7,11-14,16-18H,4-6,8-10,15H2,1-3H3/t17-,18+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
19n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma 1 receptor in Dunkin guinea pig brain membrane without cerebellum by competition binding assay


Bioorg Med Chem 21: 1865-9 (2013)


Article DOI: 10.1016/j.bmc.2013.01.034
BindingDB Entry DOI: 10.7270/Q2S75HP7
More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM50179264
PNG
(1-(4-(6-methoxynaphthalen-1-yl)butyl)-2,2-dimethyl...)
Show SMILES COc1ccc2c(CCCCN3CCCCC3(C)C)cccc2c1
Show InChI InChI=1S/C22H31NO/c1-22(2)14-5-7-16-23(22)15-6-4-9-18-10-8-11-19-17-20(24-3)12-13-21(18)19/h8,10-13,17H,4-7,9,14-16H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
22n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma 1 receptor in Dunkin guinea pig brain membrane without cerebellum by competition binding assay


Bioorg Med Chem 21: 1865-9 (2013)


Article DOI: 10.1016/j.bmc.2013.01.034
BindingDB Entry DOI: 10.7270/Q2S75HP7
More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM50431626
PNG
(CHEMBL2349070)
Show SMILES COc1ccc2C(CCCCN3C(C)(C)CCCC3(C)C)CCCc2c1
Show InChI InChI=1S/C24H39NO/c1-23(2)15-9-16-24(3,4)25(23)17-7-6-10-19-11-8-12-20-18-21(26-5)13-14-22(19)20/h13-14,18-19H,6-12,15-17H2,1-5H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
36n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma 1 receptor in Dunkin guinea pig brain membrane without cerebellum by competition binding assay


Bioorg Med Chem 21: 1865-9 (2013)


Article DOI: 10.1016/j.bmc.2013.01.034
BindingDB Entry DOI: 10.7270/Q2S75HP7
More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM50431622
PNG
(CHEMBL2349066)
Show SMILES COc1ccc2c(CCCCN3C(C)(C)CCCC3(C)C)cccc2c1
Show InChI InChI=1S/C24H35NO/c1-23(2)15-9-16-24(3,4)25(23)17-7-6-10-19-11-8-12-20-18-21(26-5)13-14-22(19)20/h8,11-14,18H,6-7,9-10,15-17H2,1-5H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
89n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma 1 receptor in Dunkin guinea pig brain membrane without cerebellum by competition binding assay


Bioorg Med Chem 21: 1865-9 (2013)


Article DOI: 10.1016/j.bmc.2013.01.034
BindingDB Entry DOI: 10.7270/Q2S75HP7
More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM50431629
PNG
(CHEMBL2349073)
Show SMILES COc1ccc2C(CCCN3[C@@H](C)CCC[C@H]3C)CCCc2c1
Show InChI InChI=1S/C21H33NO/c1-16-7-4-8-17(2)22(16)14-6-11-18-9-5-10-19-15-20(23-3)12-13-21(18)19/h12-13,15-18H,4-11,14H2,1-3H3/t16-,17+,18?
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
110n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma 1 receptor in Dunkin guinea pig brain membrane without cerebellum by competition binding assay


Bioorg Med Chem 21: 1865-9 (2013)


Article DOI: 10.1016/j.bmc.2013.01.034
BindingDB Entry DOI: 10.7270/Q2S75HP7
More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM50179258
PNG
(1-(3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1ccc2C(CCCN3CCCCC3(C)C)CCCc2c1
Show InChI InChI=1S/C21H33NO/c1-21(2)13-4-5-14-22(21)15-7-10-17-8-6-9-18-16-19(23-3)11-12-20(17)18/h11-12,16-17H,4-10,13-15H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
178n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma 1 receptor in Dunkin guinea pig brain membrane without cerebellum by competition binding assay


Bioorg Med Chem 21: 1865-9 (2013)


Article DOI: 10.1016/j.bmc.2013.01.034
BindingDB Entry DOI: 10.7270/Q2S75HP7
More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM50431623
PNG
(CHEMBL2349067)
Show SMILES COc1ccc2c(CCCN3C(C)(C)CCCC3(C)C)cccc2c1
Show InChI InChI=1S/C23H33NO/c1-22(2)14-8-15-23(3,4)24(22)16-7-11-18-9-6-10-19-17-20(25-5)12-13-21(18)19/h6,9-10,12-13,17H,7-8,11,14-16H2,1-5H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
236n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma 1 receptor in Dunkin guinea pig brain membrane without cerebellum by competition binding assay


Bioorg Med Chem 21: 1865-9 (2013)


Article DOI: 10.1016/j.bmc.2013.01.034
BindingDB Entry DOI: 10.7270/Q2S75HP7
More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM50431627
PNG
(CHEMBL2349071)
Show SMILES COc1ccc2C(CCCN3C(C)(C)CCCC3(C)C)CCCc2c1
Show InChI InChI=1S/C23H37NO/c1-22(2)14-8-15-23(3,4)24(22)16-7-11-18-9-6-10-19-17-20(25-5)12-13-21(18)19/h12-13,17-18H,6-11,14-16H2,1-5H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
373n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma 1 receptor in Dunkin guinea pig brain membrane without cerebellum by competition binding assay


Bioorg Med Chem 21: 1865-9 (2013)


Article DOI: 10.1016/j.bmc.2013.01.034
BindingDB Entry DOI: 10.7270/Q2S75HP7
More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM50179273
PNG
(1-(3-(6-methoxynaphthalen-1-yl)propyl)-2,2-dimethy...)
Show SMILES COc1ccc2c(CCCN3CCCCC3(C)C)cccc2c1
Show InChI InChI=1S/C21H29NO/c1-21(2)13-4-5-14-22(21)15-7-10-17-8-6-9-18-16-19(23-3)11-12-20(17)18/h6,8-9,11-12,16H,4-5,7,10,13-15H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.06E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma 1 receptor in Dunkin guinea pig brain membrane without cerebellum by competition binding assay


Bioorg Med Chem 21: 1865-9 (2013)


Article DOI: 10.1016/j.bmc.2013.01.034
BindingDB Entry DOI: 10.7270/Q2S75HP7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%