Found 27 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
(RAT) | BDBM50353848
(CHEMBL1831159)Show SMILES CC(=O)c1ccc2n(CCCCN3CCN(CC3)c3ccc(F)cc3)ccc2c1 Show InChI InChI=1S/C24H28FN3O/c1-19(29)20-4-9-24-21(18-20)10-13-28(24)12-3-2-11-26-14-16-27(17-15-26)23-7-5-22(25)6-8-23/h4-10,13,18H,2-3,11-12,14-17H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Mississippi
Curated by ChEMBL
| Assay Description
Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins |
Eur J Med Chem 46: 5154-61 (2011)
Article DOI: 10.1016/j.ejmech.2011.08.031
BindingDB Entry DOI: 10.7270/Q2PV6KRM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50353845
(CHEMBL1830149 | US9604926, Compound CM-341 | US972...)Show InChI InChI=1S/C22H33N3/c1-2-9-21(10-3-1)24-18-16-23(17-19-24)13-6-7-14-25-15-12-20-8-4-5-11-22(20)25/h4-5,8,11-12,15,21H,1-3,6-7,9-10,13-14,16-19H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Mississippi
Curated by ChEMBL
| Assay Description
Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins |
Eur J Med Chem 46: 5154-61 (2011)
Article DOI: 10.1016/j.ejmech.2011.08.031
BindingDB Entry DOI: 10.7270/Q2PV6KRM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | 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
| 3.35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Mississippi
Curated by ChEMBL
| Assay Description
Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins |
Eur J Med Chem 46: 5154-61 (2011)
Article DOI: 10.1016/j.ejmech.2011.08.031
BindingDB Entry DOI: 10.7270/Q2PV6KRM |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50353844
(CHEMBL270341 | US9604926, Compound CM-145 | US9724...)Show InChI InChI=1S/C21H31N3OS/c25-21-24(19-10-4-5-11-20(19)26-21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h4-5,10-11,18H,1-3,6-9,12-17H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Mississippi
Curated by ChEMBL
| Assay Description
Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins |
Eur J Med Chem 46: 5154-61 (2011)
Article DOI: 10.1016/j.ejmech.2011.08.031
BindingDB Entry DOI: 10.7270/Q2PV6KRM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50353859
(CHEMBL1831158)Show SMILES CC(=O)c1ccc2n(CCCCN3CCN(CC3)C3CCCCC3)ccc2c1 Show InChI InChI=1S/C24H35N3O/c1-20(28)21-9-10-24-22(19-21)11-14-27(24)13-6-5-12-25-15-17-26(18-16-25)23-7-3-2-4-8-23/h9-11,14,19,23H,2-8,12-13,15-18H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 5.33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Mississippi
Curated by ChEMBL
| Assay Description
Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins |
Eur J Med Chem 46: 5154-61 (2011)
Article DOI: 10.1016/j.ejmech.2011.08.031
BindingDB Entry DOI: 10.7270/Q2PV6KRM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50353849
(CHEMBL1831160)Show SMILES COc1cc2CCN(CCCCn3ccc4cc(ccc34)C(C)=O)Cc2cc1OC Show InChI InChI=1S/C25H30N2O3/c1-18(28)19-6-7-23-21(14-19)9-13-27(23)11-5-4-10-26-12-8-20-15-24(29-2)25(30-3)16-22(20)17-26/h6-7,9,13-16H,4-5,8,10-12,17H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 14.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Mississippi
Curated by ChEMBL
| Assay Description
Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins |
Eur J Med Chem 46: 5154-61 (2011)
Article DOI: 10.1016/j.ejmech.2011.08.031
BindingDB Entry DOI: 10.7270/Q2PV6KRM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50035105
(1'-{4-[1-(4-fluorophenyl)-1H-3-indolyl]butyl}spiro...)Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12 Show InChI InChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Mississippi
Curated by ChEMBL
| Assay Description
Binding affinity to sigma 1 receptor |
Eur J Med Chem 46: 5154-61 (2011)
Article DOI: 10.1016/j.ejmech.2011.08.031
BindingDB Entry DOI: 10.7270/Q2PV6KRM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50353856
(CHEMBL1831167)Show SMILES C(CCn1cc(-c2ccoc2)c2ccccc12)CN1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C26H35N3O/c1-2-8-23(9-3-1)28-17-15-27(16-18-28)13-6-7-14-29-20-25(22-12-19-30-21-22)24-10-4-5-11-26(24)29/h4-5,10-12,19-21,23H,1-3,6-9,13-18H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 34.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Mississippi
Curated by ChEMBL
| Assay Description
Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins |
Eur J Med Chem 46: 5154-61 (2011)
Article DOI: 10.1016/j.ejmech.2011.08.031
BindingDB Entry DOI: 10.7270/Q2PV6KRM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50353846
(CHEMBL1831156 | US9604926, Compound CM-338 | US972...)Show InChI InChI=1S/C22H26FN3/c23-20-7-9-21(10-8-20)25-17-15-24(16-18-25)12-3-4-13-26-14-11-19-5-1-2-6-22(19)26/h1-2,5-11,14H,3-4,12-13,15-18H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 71.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Mississippi
Curated by ChEMBL
| Assay Description
Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins |
Eur J Med Chem 46: 5154-61 (2011)
Article DOI: 10.1016/j.ejmech.2011.08.031
BindingDB Entry DOI: 10.7270/Q2PV6KRM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50353853
(CHEMBL1831164 | US9604926, Compound CM-349 | US972...)Show SMILES Fc1ccc(cc1)-c1cn(CCCCN2CCN(CC2)C2CCCCC2)c2ccccc12 Show InChI InChI=1S/C28H36FN3/c29-24-14-12-23(13-15-24)27-22-32(28-11-5-4-10-26(27)28)17-7-6-16-30-18-20-31(21-19-30)25-8-2-1-3-9-25/h4-5,10-15,22,25H,1-3,6-9,16-21H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 90.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Mississippi
Curated by ChEMBL
| Assay Description
Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins |
Eur J Med Chem 46: 5154-61 (2011)
Article DOI: 10.1016/j.ejmech.2011.08.031
BindingDB Entry DOI: 10.7270/Q2PV6KRM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50353850
(CHEMBL1831161)Show SMILES C(CCn1cc(-c2ccccc2)c2ccccc12)CN1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C28H37N3/c1-3-11-24(12-4-1)27-23-31(28-16-8-7-15-26(27)28)18-10-9-17-29-19-21-30(22-20-29)25-13-5-2-6-14-25/h1,3-4,7-8,11-12,15-16,23,25H,2,5-6,9-10,13-14,17-22H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 92.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Mississippi
Curated by ChEMBL
| Assay Description
Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins |
Eur J Med Chem 46: 5154-61 (2011)
Article DOI: 10.1016/j.ejmech.2011.08.031
BindingDB Entry DOI: 10.7270/Q2PV6KRM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50353847
(CHEMBL1831157 | US9604926, Compound CM-360 | US972...)Show InChI InChI=1S/C23H28N2O2/c1-26-22-15-19-9-13-24(17-20(19)16-23(22)27-2)11-5-6-12-25-14-10-18-7-3-4-8-21(18)25/h3-4,7-8,10,14-16H,5-6,9,11-13,17H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 141 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Mississippi
Curated by ChEMBL
| Assay Description
Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins |
Eur J Med Chem 46: 5154-61 (2011)
Article DOI: 10.1016/j.ejmech.2011.08.031
BindingDB Entry DOI: 10.7270/Q2PV6KRM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50353851
(CHEMBL1831162)Show SMILES Fc1ccc(cc1)N1CCN(CCCCn2cc(-c3ccccc3)c3ccccc23)CC1 Show InChI InChI=1S/C28H30FN3/c29-24-12-14-25(15-13-24)31-20-18-30(19-21-31)16-6-7-17-32-22-27(23-8-2-1-3-9-23)26-10-4-5-11-28(26)32/h1-5,8-15,22H,6-7,16-21H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 222 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Mississippi
Curated by ChEMBL
| Assay Description
Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins |
Eur J Med Chem 46: 5154-61 (2011)
Article DOI: 10.1016/j.ejmech.2011.08.031
BindingDB Entry DOI: 10.7270/Q2PV6KRM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50353857
(CHEMBL1831168)Show SMILES Fc1ccc(cc1)N1CCN(CCCCn2cc(-c3ccoc3)c3ccccc23)CC1 Show InChI InChI=1S/C26H28FN3O/c27-22-7-9-23(10-8-22)29-16-14-28(15-17-29)12-3-4-13-30-19-25(21-11-18-31-20-21)24-5-1-2-6-26(24)30/h1-2,5-11,18-20H,3-4,12-17H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 279 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Mississippi
Curated by ChEMBL
| Assay Description
Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins |
Eur J Med Chem 46: 5154-61 (2011)
Article DOI: 10.1016/j.ejmech.2011.08.031
BindingDB Entry DOI: 10.7270/Q2PV6KRM |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50353855
(CHEMBL1831166 | US9604926, Compound CM-361 | US972...)Show SMILES COc1cc2CCN(CCCCn3cc(-c4ccc(F)cc4)c4ccccc34)Cc2cc1OC Show InChI InChI=1S/C29H31FN2O2/c1-33-28-17-22-13-16-31(19-23(22)18-29(28)34-2)14-5-6-15-32-20-26(21-9-11-24(30)12-10-21)25-7-3-4-8-27(25)32/h3-4,7-12,17-18,20H,5-6,13-16,19H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 295 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Mississippi
Curated by ChEMBL
| Assay Description
Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells |
Eur J Med Chem 46: 5154-61 (2011)
Article DOI: 10.1016/j.ejmech.2011.08.031
BindingDB Entry DOI: 10.7270/Q2PV6KRM |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50353855
(CHEMBL1831166 | US9604926, Compound CM-361 | US972...)Show SMILES COc1cc2CCN(CCCCn3cc(-c4ccc(F)cc4)c4ccccc34)Cc2cc1OC Show InChI InChI=1S/C29H31FN2O2/c1-33-28-17-22-13-16-31(19-23(22)18-29(28)34-2)14-5-6-15-32-20-26(21-9-11-24(30)12-10-21)25-7-3-4-8-27(25)32/h3-4,7-12,17-18,20H,5-6,13-16,19H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 544 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Mississippi
Curated by ChEMBL
| Assay Description
Displacement of [3H]YM-09151-2 from human D3 receptor expressed in CHO cells |
Eur J Med Chem 46: 5154-61 (2011)
Article DOI: 10.1016/j.ejmech.2011.08.031
BindingDB Entry DOI: 10.7270/Q2PV6KRM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50353858
(CHEMBL1831169)Show SMILES COc1cc2CCN(CCCCn3cc(-c4ccoc4)c4ccccc34)Cc2cc1OC Show InChI InChI=1S/C27H30N2O3/c1-30-26-15-20-9-13-28(17-22(20)16-27(26)31-2)11-5-6-12-29-18-24(21-10-14-32-19-21)23-7-3-4-8-25(23)29/h3-4,7-8,10,14-16,18-19H,5-6,9,11-13,17H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 614 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Mississippi
Curated by ChEMBL
| Assay Description
Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins |
Eur J Med Chem 46: 5154-61 (2011)
Article DOI: 10.1016/j.ejmech.2011.08.031
BindingDB Entry DOI: 10.7270/Q2PV6KRM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50353852
(CHEMBL1831163)Show SMILES COc1cc2CCN(CCCCn3cc(-c4ccccc4)c4ccccc34)Cc2cc1OC Show InChI InChI=1S/C29H32N2O2/c1-32-28-18-23-14-17-30(20-24(23)19-29(28)33-2)15-8-9-16-31-21-26(22-10-4-3-5-11-22)25-12-6-7-13-27(25)31/h3-7,10-13,18-19,21H,8-9,14-17,20H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 714 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Mississippi
Curated by ChEMBL
| Assay Description
Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins |
Eur J Med Chem 46: 5154-61 (2011)
Article DOI: 10.1016/j.ejmech.2011.08.031
BindingDB Entry DOI: 10.7270/Q2PV6KRM |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50353855
(CHEMBL1831166 | US9604926, Compound CM-361 | US972...)Show SMILES COc1cc2CCN(CCCCn3cc(-c4ccc(F)cc4)c4ccccc34)Cc2cc1OC Show InChI InChI=1S/C29H31FN2O2/c1-33-28-17-22-13-16-31(19-23(22)18-29(28)34-2)14-5-6-15-32-20-26(21-9-11-24(30)12-10-21)25-7-3-4-8-27(25)32/h3-4,7-12,17-18,20H,5-6,13-16,19H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Mississippi
Curated by ChEMBL
| Assay Description
Displacement of [3H]YM-09151-2 from human D2 receptor expressed in CHO cells |
Eur J Med Chem 46: 5154-61 (2011)
Article DOI: 10.1016/j.ejmech.2011.08.031
BindingDB Entry DOI: 10.7270/Q2PV6KRM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50353854
(CHEMBL1831165 | US9604926, Compound CM-350 | US972...)Show SMILES Fc1ccc(cc1)N1CCN(CCCCn2cc(-c3ccc(F)cc3)c3ccccc23)CC1 Show InChI InChI=1S/C28H29F2N3/c29-23-9-7-22(8-10-23)27-21-33(28-6-2-1-5-26(27)28)16-4-3-15-31-17-19-32(20-18-31)25-13-11-24(30)12-14-25/h1-2,5-14,21H,3-4,15-20H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Mississippi
Curated by ChEMBL
| Assay Description
Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins |
Eur J Med Chem 46: 5154-61 (2011)
Article DOI: 10.1016/j.ejmech.2011.08.031
BindingDB Entry DOI: 10.7270/Q2PV6KRM |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50353855
(CHEMBL1831166 | US9604926, Compound CM-361 | US972...)Show SMILES COc1cc2CCN(CCCCn3cc(-c4ccc(F)cc4)c4ccccc34)Cc2cc1OC Show InChI InChI=1S/C29H31FN2O2/c1-33-28-17-22-13-16-31(19-23(22)18-29(28)34-2)14-5-6-15-32-20-26(21-9-11-24(30)12-10-21)25-7-3-4-8-27(25)32/h3-4,7-12,17-18,20H,5-6,13-16,19H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Mississippi
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT2A receptor expressed in HEK cells |
Eur J Med Chem 46: 5154-61 (2011)
Article DOI: 10.1016/j.ejmech.2011.08.031
BindingDB Entry DOI: 10.7270/Q2PV6KRM |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50353855
(CHEMBL1831166 | US9604926, Compound CM-361 | US972...)Show SMILES COc1cc2CCN(CCCCn3cc(-c4ccc(F)cc4)c4ccccc34)Cc2cc1OC Show InChI InChI=1S/C29H31FN2O2/c1-33-28-17-22-13-16-31(19-23(22)18-29(28)34-2)14-5-6-15-32-20-26(21-9-11-24(30)12-10-21)25-7-3-4-8-27(25)32/h3-4,7-12,17-18,20H,5-6,13-16,19H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Mississippi
Curated by ChEMBL
| Assay Description
Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells |
Eur J Med Chem 46: 5154-61 (2011)
Article DOI: 10.1016/j.ejmech.2011.08.031
BindingDB Entry DOI: 10.7270/Q2PV6KRM |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50353855
(CHEMBL1831166 | US9604926, Compound CM-361 | US972...)Show SMILES COc1cc2CCN(CCCCn3cc(-c4ccc(F)cc4)c4ccccc34)Cc2cc1OC Show InChI InChI=1S/C29H31FN2O2/c1-33-28-17-22-13-16-31(19-23(22)18-29(28)34-2)14-5-6-15-32-20-26(21-9-11-24(30)12-10-21)25-7-3-4-8-27(25)32/h3-4,7-12,17-18,20H,5-6,13-16,19H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Mississippi
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK cells |
Eur J Med Chem 46: 5154-61 (2011)
Article DOI: 10.1016/j.ejmech.2011.08.031
BindingDB Entry DOI: 10.7270/Q2PV6KRM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50353855
(CHEMBL1831166 | US9604926, Compound CM-361 | US972...)Show SMILES COc1cc2CCN(CCCCn3cc(-c4ccc(F)cc4)c4ccccc34)Cc2cc1OC Show InChI InChI=1S/C29H31FN2O2/c1-33-28-17-22-13-16-31(19-23(22)18-29(28)34-2)14-5-6-15-32-20-26(21-9-11-24(30)12-10-21)25-7-3-4-8-27(25)32/h3-4,7-12,17-18,20H,5-6,13-16,19H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Mississippi
Curated by ChEMBL
| Assay Description
Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins |
Eur J Med Chem 46: 5154-61 (2011)
Article DOI: 10.1016/j.ejmech.2011.08.031
BindingDB Entry DOI: 10.7270/Q2PV6KRM |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50353855
(CHEMBL1831166 | US9604926, Compound CM-361 | US972...)Show SMILES COc1cc2CCN(CCCCn3cc(-c4ccc(F)cc4)c4ccccc34)Cc2cc1OC Show InChI InChI=1S/C29H31FN2O2/c1-33-28-17-22-13-16-31(19-23(22)18-29(28)34-2)14-5-6-15-32-20-26(21-9-11-24(30)12-10-21)25-7-3-4-8-27(25)32/h3-4,7-12,17-18,20H,5-6,13-16,19H2,1-2H3 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Mississippi
Curated by ChEMBL
| Assay Description
Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells |
Eur J Med Chem 46: 5154-61 (2011)
Article DOI: 10.1016/j.ejmech.2011.08.031
BindingDB Entry DOI: 10.7270/Q2PV6KRM |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50353855
(CHEMBL1831166 | US9604926, Compound CM-361 | US972...)Show SMILES COc1cc2CCN(CCCCn3cc(-c4ccc(F)cc4)c4ccccc34)Cc2cc1OC Show InChI InChI=1S/C29H31FN2O2/c1-33-28-17-22-13-16-31(19-23(22)18-29(28)34-2)14-5-6-15-32-20-26(21-9-11-24(30)12-10-21)25-7-3-4-8-27(25)32/h3-4,7-12,17-18,20H,5-6,13-16,19H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Mississippi
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH-23390 from human D1 receptor in cell-based assay |
Eur J Med Chem 46: 5154-61 (2011)
Article DOI: 10.1016/j.ejmech.2011.08.031
BindingDB Entry DOI: 10.7270/Q2PV6KRM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50137618
(5-Bromo-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...)Show SMILES COc1cc2CCN(CCCCNC(=O)c3cc(Br)cc(OC)c3OC)Cc2cc1OC Show InChI InChI=1S/C24H31BrN2O5/c1-29-20-11-16-7-10-27(15-17(16)12-21(20)30-2)9-6-5-8-26-24(28)19-13-18(25)14-22(31-3)23(19)32-4/h11-14H,5-10,15H2,1-4H3,(H,26,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.29E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Mississippi
Curated by ChEMBL
| Assay Description
Binding affinity to sigma 1 receptor |
Eur J Med Chem 46: 5154-61 (2011)
Article DOI: 10.1016/j.ejmech.2011.08.031
BindingDB Entry DOI: 10.7270/Q2PV6KRM |
More data for this
Ligand-Target Pair | |
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