Found 13 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50321777
((R)-1'-benzyl-6-methoxy-1-phenyl-1,6-dihydrospiro[...)Show SMILES CO[C@@H]1OC2(CCN(Cc3ccccc3)CC2)c2cnn(c12)-c1ccccc1 |r| Show InChI InChI=1S/C23H25N3O2/c1-27-22-21-20(16-24-26(21)19-10-6-3-7-11-19)23(28-22)12-14-25(15-13-23)17-18-8-4-2-5-9-18/h2-11,16,22H,12-15,17H2,1H3/t22-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Westf£lische Wilhelms-Universit£t M£nster
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 opioid receptor in guinea pig brain membrane |
Bioorg Med Chem 16: 2992-3001 (2008)
Article DOI: 10.1016/j.bmc.2007.12.045
BindingDB Entry DOI: 10.7270/Q2N017CQ |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50375352
(CHEMBL406018)Show InChI InChI=1S/C19H25N3/c1-3-7-17(8-4-1)22-19-10-9-16(18(19)15-20-22)11-14-21-12-5-2-6-13-21/h1,3-4,7-8,15-16H,2,5-6,9-14H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Westf£lische Wilhelms-Universit£t M£nster
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 opioid receptor in guinea pig brain membrane |
Bioorg Med Chem 16: 2992-3001 (2008)
Article DOI: 10.1016/j.bmc.2007.12.045
BindingDB Entry DOI: 10.7270/Q2N017CQ |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50108659
(1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...)Show InChI InChI=1S/C20H23NO2/c1-22-19-17-9-5-6-10-18(17)20(23-19)11-13-21(14-12-20)15-16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Westf£lische Wilhelms-Universit£t M£nster
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 opioid receptor in guinea pig brain membrane |
Bioorg Med Chem 16: 2992-3001 (2008)
Article DOI: 10.1016/j.bmc.2007.12.045
BindingDB Entry DOI: 10.7270/Q2N017CQ |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50375351
(CHEMBL259732)Show SMILES CCCCN1CCC2(CC1)OC(OC)c1c2cnn1-c1ccccc1 |w:11.12| Show InChI InChI=1S/C20H27N3O2/c1-3-4-12-22-13-10-20(11-14-22)17-15-21-23(16-8-6-5-7-9-16)18(17)19(24-2)25-20/h5-9,15,19H,3-4,10-14H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Westf£lische Wilhelms-Universit£t M£nster
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 opioid receptor in guinea pig brain membrane |
Bioorg Med Chem 16: 2992-3001 (2008)
Article DOI: 10.1016/j.bmc.2007.12.045
BindingDB Entry DOI: 10.7270/Q2N017CQ |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM21398
(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
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Westf£lische Wilhelms-Universit£t M£nster
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 opioid receptor in guinea pig brain membrane |
Bioorg Med Chem 16: 2992-3001 (2008)
Article DOI: 10.1016/j.bmc.2007.12.045
BindingDB Entry DOI: 10.7270/Q2N017CQ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM81982
(CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...)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
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 177 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Westf£lische Wilhelms-Universit£t M£nster
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 opioid receptor in guinea pig brain membrane |
Bioorg Med Chem 16: 2992-3001 (2008)
Article DOI: 10.1016/j.bmc.2007.12.045
BindingDB Entry DOI: 10.7270/Q2N017CQ |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50375353
(CHEMBL259941)Show InChI InChI=1S/C16H19N3O2/c1-20-15-14-13(16(21-15)7-9-17-10-8-16)11-18-19(14)12-5-3-2-4-6-12/h2-6,11,15,17H,7-10H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Westf£lische Wilhelms-Universit£t M£nster
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 opioid receptor in guinea pig brain membrane |
Bioorg Med Chem 16: 2992-3001 (2008)
Article DOI: 10.1016/j.bmc.2007.12.045
BindingDB Entry DOI: 10.7270/Q2N017CQ |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50321777
((R)-1'-benzyl-6-methoxy-1-phenyl-1,6-dihydrospiro[...)Show SMILES CO[C@@H]1OC2(CCN(Cc3ccccc3)CC2)c2cnn(c12)-c1ccccc1 |r| Show InChI InChI=1S/C23H25N3O2/c1-27-22-21-20(16-24-26(21)19-10-6-3-7-11-19)23(28-22)12-14-25(15-13-23)17-18-8-4-2-5-9-18/h2-11,16,22H,12-15,17H2,1H3/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
Westf£lische Wilhelms-Universit£t M£nster
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel |
Bioorg Med Chem 16: 2992-3001 (2008)
Article DOI: 10.1016/j.bmc.2007.12.045
BindingDB Entry DOI: 10.7270/Q2N017CQ |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50375351
(CHEMBL259732)Show SMILES CCCCN1CCC2(CC1)OC(OC)c1c2cnn1-c1ccccc1 |w:11.12| Show InChI InChI=1S/C20H27N3O2/c1-3-4-12-22-13-10-20(11-14-22)17-15-21-23(16-8-6-5-7-9-16)18(17)19(24-2)25-20/h5-9,15,19H,3-4,10-14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
Westf£lische Wilhelms-Universit£t M£nster
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel |
Bioorg Med Chem 16: 2992-3001 (2008)
Article DOI: 10.1016/j.bmc.2007.12.045
BindingDB Entry DOI: 10.7270/Q2N017CQ |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50375351
(CHEMBL259732)Show SMILES CCCCN1CCC2(CC1)OC(OC)c1c2cnn1-c1ccccc1 |w:11.12| Show InChI InChI=1S/C20H27N3O2/c1-3-4-12-22-13-10-20(11-14-22)17-15-21-23(16-8-6-5-7-9-16)18(17)19(24-2)25-20/h5-9,15,19H,3-4,10-14H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Westf£lische Wilhelms-Universit£t M£nster
Curated by ChEMBL
| Assay Description
Inhibition of 5HTT receptor |
Bioorg Med Chem 16: 2992-3001 (2008)
Article DOI: 10.1016/j.bmc.2007.12.045
BindingDB Entry DOI: 10.7270/Q2N017CQ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50321777
((R)-1'-benzyl-6-methoxy-1-phenyl-1,6-dihydrospiro[...)Show SMILES CO[C@@H]1OC2(CCN(Cc3ccccc3)CC2)c2cnn(c12)-c1ccccc1 |r| Show InChI InChI=1S/C23H25N3O2/c1-27-22-21-20(16-24-26(21)19-10-6-3-7-11-19)23(28-22)12-14-25(15-13-23)17-18-8-4-2-5-9-18/h2-11,16,22H,12-15,17H2,1H3/t22-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Westf£lische Wilhelms-Universit£t M£nster
Curated by ChEMBL
| Assay Description
Inhibition of 5HT1A receptor |
Bioorg Med Chem 16: 2992-3001 (2008)
Article DOI: 10.1016/j.bmc.2007.12.045
BindingDB Entry DOI: 10.7270/Q2N017CQ |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50321777
((R)-1'-benzyl-6-methoxy-1-phenyl-1,6-dihydrospiro[...)Show SMILES CO[C@@H]1OC2(CCN(Cc3ccccc3)CC2)c2cnn(c12)-c1ccccc1 |r| Show InChI InChI=1S/C23H25N3O2/c1-27-22-21-20(16-24-26(21)19-10-6-3-7-11-19)23(28-22)12-14-25(15-13-23)17-18-8-4-2-5-9-18/h2-11,16,22H,12-15,17H2,1H3/t22-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Westf£lische Wilhelms-Universit£t M£nster
Curated by ChEMBL
| Assay Description
Inhibition of 5HTT receptor |
Bioorg Med Chem 16: 2992-3001 (2008)
Article DOI: 10.1016/j.bmc.2007.12.045
BindingDB Entry DOI: 10.7270/Q2N017CQ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50375351
(CHEMBL259732)Show SMILES CCCCN1CCC2(CC1)OC(OC)c1c2cnn1-c1ccccc1 |w:11.12| Show InChI InChI=1S/C20H27N3O2/c1-3-4-12-22-13-10-20(11-14-22)17-15-21-23(16-8-6-5-7-9-16)18(17)19(24-2)25-20/h5-9,15,19H,3-4,10-14H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Westf£lische Wilhelms-Universit£t M£nster
Curated by ChEMBL
| Assay Description
Inhibition of 5HT1A receptor |
Bioorg Med Chem 16: 2992-3001 (2008)
Article DOI: 10.1016/j.bmc.2007.12.045
BindingDB Entry DOI: 10.7270/Q2N017CQ |
More data for this
Ligand-Target Pair | |
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