Found 875 hits with Last Name = 'yu' and Initial = 'lf' 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 |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50049750
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity to alpha4beta2 nAChR in human brain |
J Med Chem 55: 9998-10009 (2012)
Article DOI: 10.1021/jm301177j BindingDB Entry DOI: 10.7270/Q2CJ8FM1 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50216347
((1R,4R)-2-(3-pyridinyl)-2,5-diazabicyclo[2.2.1]hep...)Show InChI InChI=1S/C10H13N3/c1-2-9(5-11-3-1)13-7-8-4-10(13)6-12-8/h1-3,5,8,10,12H,4,6-7H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha2beta2 nAChR by liquid scintillation counting |
Eur J Med Chem 124: 689-697 (2016)
Article DOI: 10.1016/j.ejmech.2016.09.016 BindingDB Entry DOI: 10.7270/Q2H41TDB |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50210335
(CHEMBL3898434)Show SMILES [H][C@@]1(CCOC)C[C@@]1([H])c1cncc(c1)N1CCCNCC1 |r| Show InChI InChI=1S/C16H25N3O/c1-20-8-3-13-10-16(13)14-9-15(12-18-11-14)19-6-2-4-17-5-7-19/h9,11-13,16-17H,2-8,10H2,1H3/t13-,16-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha2beta2 nAChR by liquid scintillation counting |
Eur J Med Chem 124: 689-697 (2016)
Article DOI: 10.1016/j.ejmech.2016.09.016 BindingDB Entry DOI: 10.7270/Q2H41TDB |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50210334
(CHEMBL3948977)Show SMILES [H][C@]1(CCOC)C[C@]1([H])c1cncc(c1)N1CCCNCC1 |r| Show InChI InChI=1S/C16H25N3O/c1-20-8-3-13-10-16(13)14-9-15(12-18-11-14)19-6-2-4-17-5-7-19/h9,11-13,16-17H,2-8,10H2,1H3/t13-,16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha2beta2 nAChR by liquid scintillation counting |
Eur J Med Chem 124: 689-697 (2016)
Article DOI: 10.1016/j.ejmech.2016.09.016 BindingDB Entry DOI: 10.7270/Q2H41TDB |
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) | 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 | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50166908
(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...)Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity to alpha4beta2 nAChR |
J Med Chem 55: 9998-10009 (2012)
Article DOI: 10.1021/jm301177j BindingDB Entry DOI: 10.7270/Q2CJ8FM1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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) | 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) | 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 | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50210335
(CHEMBL3898434)Show SMILES [H][C@@]1(CCOC)C[C@@]1([H])c1cncc(c1)N1CCCNCC1 |r| Show InChI InChI=1S/C16H25N3O/c1-20-8-3-13-10-16(13)14-9-15(12-18-11-14)19-6-2-4-17-5-7-19/h9,11-13,16-17H,2-8,10H2,1H3/t13-,16-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR by liquid scintillation counting |
Eur J Med Chem 124: 689-697 (2016)
Article DOI: 10.1016/j.ejmech.2016.09.016 BindingDB Entry DOI: 10.7270/Q2H41TDB |
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) | 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) | 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) | 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 | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50210334
(CHEMBL3948977)Show SMILES [H][C@]1(CCOC)C[C@]1([H])c1cncc(c1)N1CCCNCC1 |r| Show InChI InChI=1S/C16H25N3O/c1-20-8-3-13-10-16(13)14-9-15(12-18-11-14)19-6-2-4-17-5-7-19/h9,11-13,16-17H,2-8,10H2,1H3/t13-,16-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR by liquid scintillation counting |
Eur J Med Chem 124: 689-697 (2016)
Article DOI: 10.1016/j.ejmech.2016.09.016 BindingDB Entry DOI: 10.7270/Q2H41TDB |
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 | |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50210337
(CHEMBL3970672)Show InChI InChI=1S/C15H20N4O2/c20-7-2-13-9-15(21-18-13)12-8-14(11-17-10-12)19-5-1-3-16-4-6-19/h8-11,16,20H,1-7H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha2beta2 nAChR by liquid scintillation counting |
Eur J Med Chem 124: 689-697 (2016)
Article DOI: 10.1016/j.ejmech.2016.09.016 BindingDB Entry DOI: 10.7270/Q2H41TDB |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50210337
(CHEMBL3970672)Show InChI InChI=1S/C15H20N4O2/c20-7-2-13-9-15(21-18-13)12-8-14(11-17-10-12)19-5-1-3-16-4-6-19/h8-11,16,20H,1-7H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR by liquid scintillation counting |
Eur J Med Chem 124: 689-697 (2016)
Article DOI: 10.1016/j.ejmech.2016.09.016 BindingDB Entry DOI: 10.7270/Q2H41TDB |
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 | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50216347
((1R,4R)-2-(3-pyridinyl)-2,5-diazabicyclo[2.2.1]hep...)Show InChI InChI=1S/C10H13N3/c1-2-9(5-11-3-1)13-7-8-4-10(13)6-12-8/h1-3,5,8,10,12H,4,6-7H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR by liquid scintillation counting |
Eur J Med Chem 124: 689-697 (2016)
Article DOI: 10.1016/j.ejmech.2016.09.016 BindingDB Entry DOI: 10.7270/Q2H41TDB |
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 | |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50088438
(1-(pyridin-3-yl)-1,4-diazepane | 1-Pyridin-3-yl-[1...)Show InChI InChI=1S/C10H15N3/c1-3-10(9-12-4-1)13-7-2-5-11-6-8-13/h1,3-4,9,11H,2,5-8H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha2beta2 nAChR by liquid scintillation counting |
Eur J Med Chem 124: 689-697 (2016)
Article DOI: 10.1016/j.ejmech.2016.09.016 BindingDB Entry DOI: 10.7270/Q2H41TDB |
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) | 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) | 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 | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50400743
(CHEMBL2203549)Show SMILES COC(=O)[C@]1(C[C@H]1CN(C)C12CC3CC(CC(C3)C1)C2)c1ccccc1 |r,TLB:8:10:13.12.17:15,THB:11:12:15:19.10.18,11:10:13.12.17:15,8:10:13:17.16.15,18:10:13:17.16.15,18:16:13:19.11.10| Show InChI InChI=1S/C23H31NO2/c1-24(22-11-16-8-17(12-22)10-18(9-16)13-22)15-20-14-23(20,21(25)26-2)19-6-4-3-5-7-19/h3-7,16-18,20H,8-15H2,1-2H3/t16?,17?,18?,20-,22?,23+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to sigma 1 receptor |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
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 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 | |
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 AffyNet
| 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 AffyNet
| 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
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) | 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 | |
Neuronal acetylcholine receptor subunit alpha-3/beta-2
(Rattus norvegicus (Rat)) | BDBM50216347
((1R,4R)-2-(3-pyridinyl)-2,5-diazabicyclo[2.2.1]hep...)Show InChI InChI=1S/C10H13N3/c1-2-9(5-11-3-1)13-7-8-4-10(13)6-12-8/h1-3,5,8,10,12H,4,6-7H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha3beta2 nAChR by liquid scintillation counting |
Eur J Med Chem 124: 689-697 (2016)
Article DOI: 10.1016/j.ejmech.2016.09.016 BindingDB Entry DOI: 10.7270/Q2H41TDB |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50210338
(CHEMBL3926480)Show SMILES [H][C@]1(CCOC)C[C@]1([H])c1cncc(c1)N1C[C@]2([H])C[C@@]1([H])CN2 |r| Show InChI InChI=1S/C16H23N3O/c1-20-3-2-11-5-16(11)12-4-14(8-17-7-12)19-10-13-6-15(19)9-18-13/h4,7-8,11,13,15-16,18H,2-3,5-6,9-10H2,1H3/t11-,13-,15-,16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha2beta2 nAChR by liquid scintillation counting |
Eur J Med Chem 124: 689-697 (2016)
Article DOI: 10.1016/j.ejmech.2016.09.016 BindingDB Entry DOI: 10.7270/Q2H41TDB |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50035131
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1| 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
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to sigma 1 receptor |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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) | 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 | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50088438
(1-(pyridin-3-yl)-1,4-diazepane | 1-Pyridin-3-yl-[1...)Show InChI InChI=1S/C10H15N3/c1-3-10(9-12-4-1)13-7-2-5-11-6-8-13/h1,3-4,9,11H,2,5-8H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR by liquid scintillation counting |
Eur J Med Chem 124: 689-697 (2016)
Article DOI: 10.1016/j.ejmech.2016.09.016 BindingDB Entry DOI: 10.7270/Q2H41TDB |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50064957
(CHEMBL76806 | N-(1-Benzyl-piperidin-4-yl)-2-(2-flu...)Show InChI InChI=1S/C20H23FN2O/c21-19-9-5-4-8-17(19)14-20(24)22-18-10-12-23(13-11-18)15-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,22,24) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to sigma 1 receptor |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
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 | |