Found 224 hits Enz. Inhib. hit(s) with all data for entry = 50009827 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) | BDBM50532486
(CHEMBL4564992)Show InChI InChI=1S/C19H26N2O3/c1-21(16-8-4-2-5-9-16)12-13-22-19-14-18(24-20-19)15-23-17-10-6-3-7-11-17/h3,6-7,10-11,14,16H,2,4-5,8-9,12-13,15H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532486
(CHEMBL4564992)Show InChI InChI=1S/C19H26N2O3/c1-21(16-8-4-2-5-9-16)12-13-22-19-14-18(24-20-19)15-23-17-10-6-3-7-11-17/h3,6-7,10-11,14,16H,2,4-5,8-9,12-13,15H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532508
(CHEMBL4471576)Show InChI InChI=1S/C19H25FN2O3/c1-22(16-7-3-2-4-8-16)10-11-23-19-13-18(25-21-19)14-24-17-9-5-6-15(20)12-17/h5-6,9,12-13,16H,2-4,7-8,10-11,14H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532508
(CHEMBL4471576)Show InChI InChI=1S/C19H25FN2O3/c1-22(16-7-3-2-4-8-16)10-11-23-19-13-18(25-21-19)14-24-17-9-5-6-15(20)12-17/h5-6,9,12-13,16H,2-4,7-8,10-11,14H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532506
(CHEMBL4536431)Show InChI InChI=1S/C18H24N2O3/c1-20(15-7-5-6-8-15)11-12-21-18-13-17(23-19-18)14-22-16-9-3-2-4-10-16/h2-4,9-10,13,15H,5-8,11-12,14H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532506
(CHEMBL4536431)Show InChI InChI=1S/C18H24N2O3/c1-20(15-7-5-6-8-15)11-12-21-18-13-17(23-19-18)14-22-16-9-3-2-4-10-16/h2-4,9-10,13,15H,5-8,11-12,14H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532518
(CHEMBL4440420)Show InChI InChI=1S/C19H25ClN2O3/c1-22(16-7-3-2-4-8-16)10-11-23-19-13-18(25-21-19)14-24-17-9-5-6-15(20)12-17/h5-6,9,12-13,16H,2-4,7-8,10-11,14H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532518
(CHEMBL4440420)Show InChI InChI=1S/C19H25ClN2O3/c1-22(16-7-3-2-4-8-16)10-11-23-19-13-18(25-21-19)14-24-17-9-5-6-15(20)12-17/h5-6,9,12-13,16H,2-4,7-8,10-11,14H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532502
(CHEMBL4538923)Show SMILES Cl.CN1CCC[C@H]1COc1cc(COc2cccc(F)c2)on1 |r| Show InChI InChI=1S/C16H19FN2O3.ClH/c1-19-7-3-5-13(19)10-21-16-9-15(22-18-16)11-20-14-6-2-4-12(17)8-14;/h2,4,6,8-9,13H,3,5,7,10-11H2,1H3;1H/t13-;/m0./s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532502
(CHEMBL4538923)Show SMILES Cl.CN1CCC[C@H]1COc1cc(COc2cccc(F)c2)on1 |r| Show InChI InChI=1S/C16H19FN2O3.ClH/c1-19-7-3-5-13(19)10-21-16-9-15(22-18-16)11-20-14-6-2-4-12(17)8-14;/h2,4,6,8-9,13H,3,5,7,10-11H2,1H3;1H/t13-;/m0./s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532512
(CHEMBL4539105)Show InChI InChI=1S/C17H22N2O3/c1-19(12-14-7-8-14)9-10-20-17-11-16(22-18-17)13-21-15-5-3-2-4-6-15/h2-6,11,14H,7-10,12-13H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532512
(CHEMBL4539105)Show InChI InChI=1S/C17H22N2O3/c1-19(12-14-7-8-14)9-10-20-17-11-16(22-18-17)13-21-15-5-3-2-4-6-15/h2-6,11,14H,7-10,12-13H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532507
(CHEMBL4593797)Show InChI InChI=1S/C17H21FN2O3/c1-20(11-13-5-6-13)7-8-21-17-10-16(23-19-17)12-22-15-4-2-3-14(18)9-15/h2-4,9-10,13H,5-8,11-12H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532507
(CHEMBL4593797)Show InChI InChI=1S/C17H21FN2O3/c1-20(11-13-5-6-13)7-8-21-17-10-16(23-19-17)12-22-15-4-2-3-14(18)9-15/h2-4,9-10,13H,5-8,11-12H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532489
(CHEMBL4434692)Show InChI InChI=1S/C17H21ClN2O3/c1-20(11-13-5-6-13)7-8-21-17-10-16(23-19-17)12-22-15-4-2-3-14(18)9-15/h2-4,9-10,13H,5-8,11-12H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| 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 |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532489
(CHEMBL4434692)Show InChI InChI=1S/C17H21ClN2O3/c1-20(11-13-5-6-13)7-8-21-17-10-16(23-19-17)12-22-15-4-2-3-14(18)9-15/h2-4,9-10,13H,5-8,11-12H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| 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 |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532503
(CHEMBL4458060)Show SMILES Cl.CN1CCC[C@H]1COc1cc(COc2cccc(Cl)c2)on1 |r| Show InChI InChI=1S/C16H19ClN2O3.ClH/c1-19-7-3-5-13(19)10-21-16-9-15(22-18-16)11-20-14-6-2-4-12(17)8-14;/h2,4,6,8-9,13H,3,5,7,10-11H2,1H3;1H/t13-;/m0./s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532521
(CHEMBL4524740)Show SMILES Cl.Fc1cccc(OCc2cc(OC[C@@H]3CCCN3)no2)c1 |r| Show InChI InChI=1S/C15H17FN2O3.ClH/c16-11-3-1-5-13(7-11)19-10-14-8-15(18-21-14)20-9-12-4-2-6-17-12;/h1,3,5,7-8,12,17H,2,4,6,9-10H2;1H/t12-;/m0./s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532503
(CHEMBL4458060)Show SMILES Cl.CN1CCC[C@H]1COc1cc(COc2cccc(Cl)c2)on1 |r| Show InChI InChI=1S/C16H19ClN2O3.ClH/c1-19-7-3-5-13(19)10-21-16-9-15(22-18-16)11-20-14-6-2-4-12(17)8-14;/h2,4,6,8-9,13H,3,5,7,10-11H2,1H3;1H/t13-;/m0./s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532521
(CHEMBL4524740)Show SMILES Cl.Fc1cccc(OCc2cc(OC[C@@H]3CCCN3)no2)c1 |r| Show InChI InChI=1S/C15H17FN2O3.ClH/c16-11-3-1-5-13(7-11)19-10-14-8-15(18-21-14)20-9-12-4-2-6-17-12;/h1,3,5,7-8,12,17H,2,4,6,9-10H2;1H/t12-;/m0./s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532505
(CHEMBL4535404)Show InChI InChI=1S/C17H22N2O3/c1-19(14-6-5-7-14)10-11-20-17-12-16(22-18-17)13-21-15-8-3-2-4-9-15/h2-4,8-9,12,14H,5-7,10-11,13H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532505
(CHEMBL4535404)Show InChI InChI=1S/C17H22N2O3/c1-19(14-6-5-7-14)10-11-20-17-12-16(22-18-17)13-21-15-8-3-2-4-9-15/h2-4,8-9,12,14H,5-7,10-11,13H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM35229
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells measured after 30 mins |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM35229
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3 | Reactome pathway
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| DrugBank
Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells measured after 30 mins |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532516
(CHEMBL4460187)Show SMILES OC(=O)C(F)(F)F.Clc1cccc(OCc2cc(OC[C@@H]3CCCN3)no2)c1 |r| Show InChI InChI=1S/C15H17ClN2O3.C2HF3O2/c16-11-3-1-5-13(7-11)19-10-14-8-15(18-21-14)20-9-12-4-2-6-17-12;3-2(4,5)1(6)7/h1,3,5,7-8,12,17H,2,4,6,9-10H2;(H,6,7)/t12-;/m0./s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532516
(CHEMBL4460187)Show SMILES OC(=O)C(F)(F)F.Clc1cccc(OCc2cc(OC[C@@H]3CCCN3)no2)c1 |r| Show InChI InChI=1S/C15H17ClN2O3.C2HF3O2/c16-11-3-1-5-13(7-11)19-10-14-8-15(18-21-14)20-9-12-4-2-6-17-12;3-2(4,5)1(6)7/h1,3,5,7-8,12,17H,2,4,6,9-10H2;(H,6,7)/t12-;/m0./s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532493
(CHEMBL4533250)Show InChI InChI=1S/C15H17ClN2O3.ClH/c16-13-5-1-2-6-14(13)19-10-12-8-15(18-21-12)20-9-11-4-3-7-17-11;/h1-2,5-6,8,11,17H,3-4,7,9-10H2;1H/t11-;/m0./s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532493
(CHEMBL4533250)Show InChI InChI=1S/C15H17ClN2O3.ClH/c16-13-5-1-2-6-14(13)19-10-12-8-15(18-21-12)20-9-11-4-3-7-17-11;/h1-2,5-6,8,11,17H,3-4,7,9-10H2;1H/t11-;/m0./s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532515
(CHEMBL4470605)Show SMILES Cl.Brc1cccc(OCc2cc(OC[C@@H]3CCCN3)no2)c1 |r| Show InChI InChI=1S/C15H17BrN2O3.ClH/c16-11-3-1-5-13(7-11)19-10-14-8-15(18-21-14)20-9-12-4-2-6-17-12;/h1,3,5,7-8,12,17H,2,4,6,9-10H2;1H/t12-;/m0./s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532515
(CHEMBL4470605)Show SMILES Cl.Brc1cccc(OCc2cc(OC[C@@H]3CCCN3)no2)c1 |r| Show InChI InChI=1S/C15H17BrN2O3.ClH/c16-11-3-1-5-13(7-11)19-10-14-8-15(18-21-14)20-9-12-4-2-6-17-12;/h1,3,5,7-8,12,17H,2,4,6,9-10H2;1H/t12-;/m0./s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532513
(CHEMBL4579980)Show InChI InChI=1S/C16H20N2O3.ClH/c1-18-9-5-6-13(18)11-20-16-10-15(21-17-16)12-19-14-7-3-2-4-8-14;/h2-4,7-8,10,13H,5-6,9,11-12H2,1H3;1H/t13-;/m0./s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532513
(CHEMBL4579980)Show InChI InChI=1S/C16H20N2O3.ClH/c1-18-9-5-6-13(18)11-20-16-10-15(21-17-16)12-19-14-7-3-2-4-8-14;/h2-4,7-8,10,13H,5-6,9,11-12H2,1H3;1H/t13-;/m0./s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532501
(CHEMBL4452090)Show InChI InChI=1S/C14H18N2O3/c1-2-15-8-9-17-14-10-13(19-16-14)11-18-12-6-4-3-5-7-12/h3-7,10,15H,2,8-9,11H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532501
(CHEMBL4452090)Show InChI InChI=1S/C14H18N2O3/c1-2-15-8-9-17-14-10-13(19-16-14)11-18-12-6-4-3-5-7-12/h3-7,10,15H,2,8-9,11H2,1H3 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532497
(CHEMBL4447015)Show SMILES Cl.Cc1cccc(OCc2cc(OC[C@@H]3CCCN3)no2)c1 |r| Show InChI InChI=1S/C16H20N2O3.ClH/c1-12-4-2-6-14(8-12)19-11-15-9-16(18-21-15)20-10-13-5-3-7-17-13;/h2,4,6,8-9,13,17H,3,5,7,10-11H2,1H3;1H/t13-;/m0./s1 | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532497
(CHEMBL4447015)Show SMILES Cl.Cc1cccc(OCc2cc(OC[C@@H]3CCCN3)no2)c1 |r| Show InChI InChI=1S/C16H20N2O3.ClH/c1-12-4-2-6-14(8-12)19-11-15-9-16(18-21-15)20-10-13-5-3-7-17-13;/h2,4,6,8-9,13,17H,3,5,7,10-11H2,1H3;1H/t13-;/m0./s1 | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532517
(CHEMBL4454404)Show SMILES Cl.Fc1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1 |r| Show InChI InChI=1S/C15H17FN2O3.ClH/c16-11-3-5-13(6-4-11)19-10-14-8-15(18-21-14)20-9-12-2-1-7-17-12;/h3-6,8,12,17H,1-2,7,9-10H2;1H/t12-;/m0./s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532517
(CHEMBL4454404)Show SMILES Cl.Fc1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1 |r| Show InChI InChI=1S/C15H17FN2O3.ClH/c16-11-3-5-13(6-4-11)19-10-14-8-15(18-21-14)20-9-12-2-1-7-17-12;/h3-6,8,12,17H,1-2,7,9-10H2;1H/t12-;/m0./s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532509
(CHEMBL4549596)Show InChI InChI=1S/C14H17N3O2/c1-2-4-12(5-3-1)18-11-13-10-14(16-19-13)17-8-6-15-7-9-17/h1-5,10,15H,6-9,11H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532509
(CHEMBL4549596)Show InChI InChI=1S/C14H17N3O2/c1-2-4-12(5-3-1)18-11-13-10-14(16-19-13)17-8-6-15-7-9-17/h1-5,10,15H,6-9,11H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50020712
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 | PDB
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| DrugBank
Article
PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells measured after 30 mins |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50020712
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 | PDB
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| DrugBank
Article
PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells measured after 30 mins |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532490
(CHEMBL4563018)Show InChI InChI=1S/C15H17FN2O3.ClH/c16-13-5-1-2-6-14(13)19-10-12-8-15(18-21-12)20-9-11-4-3-7-17-11;/h1-2,5-6,8,11,17H,3-4,7,9-10H2;1H/t11-;/m0./s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532490
(CHEMBL4563018)Show InChI InChI=1S/C15H17FN2O3.ClH/c16-13-5-1-2-6-14(13)19-10-12-8-15(18-21-12)20-9-11-4-3-7-17-11;/h1-2,5-6,8,11,17H,3-4,7,9-10H2;1H/t11-;/m0./s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532494
(CHEMBL4581357)Show SMILES OC(=O)C(F)(F)F.FC(F)(F)c1cccc(OCc2cc(OC[C@@H]3CCCN3)no2)c1 |r| Show InChI InChI=1S/C16H17F3N2O3.C2HF3O2/c17-16(18,19)11-3-1-5-13(7-11)22-10-14-8-15(21-24-14)23-9-12-4-2-6-20-12;3-2(4,5)1(6)7/h1,3,5,7-8,12,20H,2,4,6,9-10H2;(H,6,7)/t12-;/m0./s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532494
(CHEMBL4581357)Show SMILES OC(=O)C(F)(F)F.FC(F)(F)c1cccc(OCc2cc(OC[C@@H]3CCCN3)no2)c1 |r| Show InChI InChI=1S/C16H17F3N2O3.C2HF3O2/c17-16(18,19)11-3-1-5-13(7-11)22-10-14-8-15(21-24-14)23-9-12-4-2-6-20-12;3-2(4,5)1(6)7/h1,3,5,7-8,12,20H,2,4,6,9-10H2;(H,6,7)/t12-;/m0./s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM22165
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-WIN35428 from human DAT expressed in HEK293 cells measured after 30 mins |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM22165
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-WIN35428 from human DAT expressed in HEK293 cells measured after 30 mins |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532495
(CHEMBL4466675)Show SMILES OC(=O)C(F)(F)F.FC(F)(F)c1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1 |r| Show InChI InChI=1S/C16H17F3N2O3.C2HF3O2/c17-16(18,19)11-3-5-13(6-4-11)22-10-14-8-15(21-24-14)23-9-12-2-1-7-20-12;3-2(4,5)1(6)7/h3-6,8,12,20H,1-2,7,9-10H2;(H,6,7)/t12-;/m0./s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50532482
(CHEMBL4586113)Show SMILES Cl.Clc1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1 |r| Show InChI InChI=1S/C15H17ClN2O3.ClH/c16-11-3-5-13(6-4-11)19-10-14-8-15(18-21-14)20-9-12-2-1-7-17-12;/h3-6,8,12,17H,1-2,7,9-10H2;1H/t12-;/m0./s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay |
J Med Chem 59: 6329-43 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14 |
More data for this
Ligand-Target Pair | |
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