Found 722 hits with Last Name = 'gao' and Initial = 'b' 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) | 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) | 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) | 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) | 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) | 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 | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM10755
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from 5-HT1A receptor (unknown origin) expressed in HEK293 cells by liquid scintillation counter |
Bioorg Med Chem 21: 856-68 (2013)
Article DOI: 10.1016/j.bmc.2012.12.016
BindingDB Entry DOI: 10.7270/Q2JD4Z4M |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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 | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50338642
((+)-R-11-(3-(4-((4-(2-Methoxyphenyl)piperazin-1-yl...)Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OCCCn2cc(CCN4CCN(CC4)c4ccccc4OC)nn2)c-31 |r| Show InChI InChI=1S/C37H46N6O2/c1-3-17-41-20-15-28-9-6-11-31-36(28)33(41)26-29-10-7-14-35(37(29)31)45-25-8-18-43-27-30(38-39-43)16-19-40-21-23-42(24-22-40)32-12-4-5-13-34(32)44-2/h4-7,9-14,27,33H,3,8,15-26H2,1-2H3/t33-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from dopamine D3 receptor expressed in human HEK293 cells by liquid scintillation counter |
Bioorg Med Chem 19: 1999-2008 (2011)
Article DOI: 10.1016/j.bmc.2011.01.053
BindingDB Entry DOI: 10.7270/Q2HD7VXH |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM82247
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin) expressed in human HEK293 cells by liquid scintillation counter |
Bioorg Med Chem 21: 856-68 (2013)
Article DOI: 10.1016/j.bmc.2012.12.016
BindingDB Entry DOI: 10.7270/Q2JD4Z4M |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM21397
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor (unknown origin) expressed in human HEK293 cells by liquid scintillation counter |
Bioorg Med Chem 21: 856-68 (2013)
Article DOI: 10.1016/j.bmc.2012.12.016
BindingDB Entry DOI: 10.7270/Q2JD4Z4M |
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 | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50338650
((-)-S-11-(3-(4-((4-(2-Methoxyphenyl)piperazin-1-yl...)Show SMILES CCCN1CCc2cccc-3c2[C@@H]1Cc1cccc(OCCCn2cc(CCN4CCN(CC4)c4ccccc4OC)nn2)c-31 |r| Show InChI InChI=1S/C37H46N6O2/c1-3-17-41-20-15-28-9-6-11-31-36(28)33(41)26-29-10-7-14-35(37(29)31)45-25-8-18-43-27-30(38-39-43)16-19-40-21-23-42(24-22-40)32-12-4-5-13-34(32)44-2/h4-7,9-14,27,33H,3,8,15-26H2,1-2H3/t33-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from dopamine D3 receptor expressed in human HEK293 cells by liquid scintillation counter |
Bioorg Med Chem 19: 1999-2008 (2011)
Article DOI: 10.1016/j.bmc.2011.01.053
BindingDB Entry DOI: 10.7270/Q2HD7VXH |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50387561
(CHEMBL2057455 | US9359372, DC037079)Show SMILES COc1cc2C[C@@H]3N(CCc4cc(OC)c(O)cc34)Cc2c(OC)c1 |r| Show InChI InChI=1S/C20H23NO4/c1-23-14-6-13-7-17-15-10-18(22)20(25-3)8-12(15)4-5-21(17)11-16(13)19(9-14)24-2/h6,8-10,17,22H,4-5,7,11H2,1-3H3/t17-/m0/s1 | PDB
KEGG
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| CHEMBL
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UniChem
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| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin) expressed in human HEK293 cells by liquid scintillation counter |
Bioorg Med Chem 21: 856-68 (2013)
Article DOI: 10.1016/j.bmc.2012.12.016
BindingDB Entry DOI: 10.7270/Q2JD4Z4M |
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
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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 | |
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
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CHEMBL
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MCE
KEGG
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PC cid
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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
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 | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50338640
((+)-R-11-((1-(3-(4-(2-Methoxyphenyl)piperazin-1-yl...)Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OCc2cn(CCCCN4CCN(CC4)c4ccccc4OC)nn2)c-31 |r| Show InChI InChI=1S/C37H46N6O2/c1-3-17-41-20-16-28-10-8-12-31-36(28)33(41)25-29-11-9-15-35(37(29)31)45-27-30-26-43(39-38-30)19-7-6-18-40-21-23-42(24-22-40)32-13-4-5-14-34(32)44-2/h4-5,8-15,26,33H,3,6-7,16-25,27H2,1-2H3/t33-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from dopamine D3 receptor expressed in human HEK293 cells by liquid scintillation counter |
Bioorg Med Chem 19: 1999-2008 (2011)
Article DOI: 10.1016/j.bmc.2011.01.053
BindingDB Entry DOI: 10.7270/Q2HD7VXH |
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 | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM21397
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29) | PDB
MMDB
Reactome pathway
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| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]Ketanserin from 5-HT2A receptor (unknown origin) expressed in HEK293 cells by liquid scintillation counter |
Bioorg Med Chem 21: 856-68 (2013)
Article DOI: 10.1016/j.bmc.2012.12.016
BindingDB Entry DOI: 10.7270/Q2JD4Z4M |
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) | 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 | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50378584
(STEPHOLIDINE)Show SMILES COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(O)c4OC |r| Show InChI InChI=1S/C19H21NO4/c1-23-18-8-12-5-6-20-10-14-11(3-4-16(21)19(14)24-2)7-15(20)13(12)9-17(18)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1 | PDB
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| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin) expressed in human HEK293 cells by liquid scintillation counter |
Bioorg Med Chem 21: 856-68 (2013)
Article DOI: 10.1016/j.bmc.2012.12.016
BindingDB Entry DOI: 10.7270/Q2JD4Z4M |
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
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) | 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
GoogleScholar
AffyNet
| PC cid
PC sid
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
GoogleScholar
AffyNet
| PC cid
PC sid
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 | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50429044
(CHEMBL2334893 | US9359372, DC037029)Show InChI InChI=1S/C19H19NO4/c1-22-17-5-11-2-3-20-9-13-7-19-18(23-10-24-19)6-12(13)4-15(20)14(11)8-16(17)21/h5-8,15,21H,2-4,9-10H2,1H3/t15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin) expressed in human HEK293 cells by liquid scintillation counter |
Bioorg Med Chem 21: 856-68 (2013)
Article DOI: 10.1016/j.bmc.2012.12.016
BindingDB Entry DOI: 10.7270/Q2JD4Z4M |
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 | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50429057
(CHEMBL2334891)Show SMILES COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(OC)c4OC |r| Show InChI InChI=1S/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin) expressed in human HEK293 cells by liquid scintillation counter |
Bioorg Med Chem 21: 856-68 (2013)
Article DOI: 10.1016/j.bmc.2012.12.016
BindingDB Entry DOI: 10.7270/Q2JD4Z4M |
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 | |
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