Found 6412 hits with Last Name = 'yang' and Initial = 'f' 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) | 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) | 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 | |
Cytochrome b
(Sus scrofa) | BDBM50487138
(CHEMBL2251795)Show SMILES CO\C=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1cc(Cl)ccc1O Show InChI InChI=1S/C22H21ClN2O5/c1-25-21(11-19(24-25)17-10-15(23)8-9-20(17)26)30-12-14-6-4-5-7-16(14)18(13-28-2)22(27)29-3/h4-11,13,26H,12H2,1-3H3/b18-13+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Central China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of Sus scrofa (pig) heart cytochrome bc1 complex using DBH2 as substrate by spectrophotometric analysis |
J Am Chem Soc 132: 185-94 (2010)
Article DOI: 10.1021/ja905756c
BindingDB Entry DOI: 10.7270/Q27W6G35 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50536712
(CHEMBL4571075)Show SMILES Clc1ccccc1[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C22H15ClN2O2/c23-19-9-5-4-8-18(19)21-20(25-22(26)27-21)17-12-16(13-24-14-17)11-10-15-6-2-1-3-7-15/h1-9,12-14,20-21H,(H,25,26)/t20-,21-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MPEPy from human mGluR5A transfected in HEK293 cell membranes after 60 mins by microbeta liquid scintillation counting analysis |
Bioorg Med Chem Lett 26: 4165-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.065
BindingDB Entry DOI: 10.7270/Q2HX1H5D |
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 | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2706-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB |
More data for this
Ligand-Target Pair | |
Cytochrome b
(Sus scrofa) | BDBM50487139
(CHEMBL2251793)Show SMILES CO\C=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1ccccc1O Show InChI InChI=1S/C22H22N2O5/c1-24-21(12-19(23-24)17-10-6-7-11-20(17)25)29-13-15-8-4-5-9-16(15)18(14-27-2)22(26)28-3/h4-12,14,25H,13H2,1-3H3/b18-14+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Central China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of Sus scrofa (pig) heart cytochrome bc1 complex using DBH2 as substrate by spectrophotometric analysis |
J Am Chem Soc 132: 185-94 (2010)
Article DOI: 10.1021/ja905756c
BindingDB Entry DOI: 10.7270/Q27W6G35 |
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 | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50536718
(CHEMBL4545607)Show SMILES Fc1cc(F)cc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C22H14F2N2O2/c23-18-9-16(10-19(24)11-18)21-20(26-22(27)28-21)17-8-15(12-25-13-17)7-6-14-4-2-1-3-5-14/h1-5,8-13,20-21H,(H,26,27)/t20-,21-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MPEPy from human mGluR5A transfected in HEK293 cell membranes after 60 mins by microbeta liquid scintillation counting analysis |
Bioorg Med Chem Lett 26: 4165-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.065
BindingDB Entry DOI: 10.7270/Q2HX1H5D |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50536704
(CHEMBL4580610)Show SMILES O=C1N[C@@H]([C@H](O1)c1ccccc1)c1cncc(c1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C22H16N2O2/c25-22-24-20(21(26-22)18-9-5-2-6-10-18)19-13-17(14-23-15-19)12-11-16-7-3-1-4-8-16/h1-10,13-15,20-21H,(H,24,25)/t20-,21-/m1/s1 | PDB
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UniChem
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MPEPy from human mGluR5A transfected in HEK293 cell membranes after 60 mins by microbeta liquid scintillation counting analysis |
Bioorg Med Chem Lett 26: 4165-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.065
BindingDB Entry DOI: 10.7270/Q2HX1H5D |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens) | BDBM50446130
(AG-014699 | AG-14447 | RUCAPARIB CAMSYLATE | Rucap...)Show SMILES CNCc1ccc(cc1)-c1[nH]c2cc(F)cc3C(=O)NCCc1c23 Show InChI InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24) | MMDB
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| | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
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
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| 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 | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50536717
(CHEMBL4574977)Show SMILES Fc1ccc([C@H]2OC(=O)N[C@@H]2c2cncc(c2)C#Cc2ccccc2)c(F)c1 |r| Show InChI InChI=1S/C22H14F2N2O2/c23-17-8-9-18(19(24)11-17)21-20(26-22(27)28-21)16-10-15(12-25-13-16)7-6-14-4-2-1-3-5-14/h1-5,8-13,20-21H,(H,26,27)/t20-,21-/m1/s1 | PDB
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UniChem
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MPEPy from human mGluR5A transfected in HEK293 cell membranes after 60 mins by microbeta liquid scintillation counting analysis |
Bioorg Med Chem Lett 26: 4165-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.065
BindingDB Entry DOI: 10.7270/Q2HX1H5D |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50169541
(CHEMBL3805542)Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C24H27N7O3/c1-2-3-13-34-24(32)30-11-9-29(10-12-30)18-7-4-6-17(15-18)19-16-21-27-22(20-8-5-14-33-20)28-31(21)23(25)26-19/h4-8,14-16H,2-3,9-13H2,1H3,(H2,25,26) | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MPEPy from human mGluR5A transfected in HEK293 cell membranes after 60 mins by microbeta liquid scintillation counting analysis |
Bioorg Med Chem Lett 26: 4165-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.065
BindingDB Entry DOI: 10.7270/Q2HX1H5D |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50169541
(CHEMBL3805542)Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C24H27N7O3/c1-2-3-13-34-24(32)30-11-9-29(10-12-30)18-7-4-6-17(15-18)19-16-21-27-22(20-8-5-14-33-20)28-31(21)23(25)26-19/h4-8,14-16H,2-3,9-13H2,1H3,(H2,25,26) | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]MPEPgamma in mGlu5 receptor (unknown origin) incubated for 60 mins by liquid scintillation counting method |
ACS Med Chem Lett 7: 289-93 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00450
BindingDB Entry DOI: 10.7270/Q28G8NMW |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50169542
(CHEMBL3804846)Show SMILES Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C24H27N7O2/c25-24-26-20(16-22-27-23(28-31(22)24)21-5-2-12-33-21)17-3-1-4-19(15-17)29-8-6-18(7-9-29)30-10-13-32-14-11-30/h1-5,12,15-16,18H,6-11,13-14H2,(H2,25,26) | PDB
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MPEPy from human mGluR5A transfected in HEK293 cell membranes after 60 mins by microbeta liquid scintillation counting analysis |
Bioorg Med Chem Lett 26: 4165-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.065
BindingDB Entry DOI: 10.7270/Q2HX1H5D |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50169542
(CHEMBL3804846)Show SMILES Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C24H27N7O2/c25-24-26-20(16-22-27-23(28-31(22)24)21-5-2-12-33-21)17-3-1-4-19(15-17)29-8-6-18(7-9-29)30-10-13-32-14-11-30/h1-5,12,15-16,18H,6-11,13-14H2,(H2,25,26) | PDB
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CHEMBL
PC cid
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| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]MPEPgamma in mGlu5 receptor (unknown origin) incubated for 60 mins by liquid scintillation counting method |
ACS Med Chem Lett 7: 289-93 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00450
BindingDB Entry DOI: 10.7270/Q28G8NMW |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50536710
(CHEMBL4560002)Show SMILES Fc1ccc(cc1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C22H15FN2O2/c23-19-10-8-17(9-11-19)21-20(25-22(26)27-21)18-12-16(13-24-14-18)7-6-15-4-2-1-3-5-15/h1-5,8-14,20-21H,(H,25,26)/t20-,21-/m1/s1 | PDB
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| PC cid
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UniChem
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MPEPy from human mGluR5A transfected in HEK293 cell membranes after 60 mins by microbeta liquid scintillation counting analysis |
Bioorg Med Chem Lett 26: 4165-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.065
BindingDB Entry DOI: 10.7270/Q2HX1H5D |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50536702
(CHEMBL4554515)Show SMILES Fc1cccc([C@H]2OC(=O)N[C@@H]2c2cncc(c2)C#Cc2ccccc2)c1F |r| Show InChI InChI=1S/C22H14F2N2O2/c23-18-8-4-7-17(19(18)24)21-20(26-22(27)28-21)16-11-15(12-25-13-16)10-9-14-5-2-1-3-6-14/h1-8,11-13,20-21H,(H,26,27)/t20-,21-/m1/s1 | PDB
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| 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 |
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MPEPy from human mGluR5A transfected in HEK293 cell membranes after 60 mins by microbeta liquid scintillation counting analysis |
Bioorg Med Chem Lett 26: 4165-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.065
BindingDB Entry DOI: 10.7270/Q2HX1H5D |
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 | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50536719
(CHEMBL4517787)Show SMILES Clc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C22H15ClN2O2/c23-19-8-4-7-17(12-19)21-20(25-22(26)27-21)18-11-16(13-24-14-18)10-9-15-5-2-1-3-6-15/h1-8,11-14,20-21H,(H,25,26)/t20-,21-/m1/s1 | PDB
MMDB
KEGG
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| 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 |
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MPEPy from human mGluR5A transfected in HEK293 cell membranes after 60 mins by microbeta liquid scintillation counting analysis |
Bioorg Med Chem Lett 26: 4165-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.065
BindingDB Entry DOI: 10.7270/Q2HX1H5D |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50536709
(CHEMBL4537236)Show SMILES Fc1ccccc1[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C22H15FN2O2/c23-19-9-5-4-8-18(19)21-20(25-22(26)27-21)17-12-16(13-24-14-17)11-10-15-6-2-1-3-7-15/h1-9,12-14,20-21H,(H,25,26)/t20-,21-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MPEPy from human mGluR5A transfected in HEK293 cell membranes after 60 mins by microbeta liquid scintillation counting analysis |
Bioorg Med Chem Lett 26: 4165-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.065
BindingDB Entry DOI: 10.7270/Q2HX1H5D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50208974
(CHEMBL390543 | N-cyclohexyl-2-(2,4-dichlorophenyl)...)Show SMILES Cc1ccc(cc1)-n1cc(nc1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H23Cl2N3O/c1-15-7-10-18(11-8-15)28-14-21(23(29)26-17-5-3-2-4-6-17)27-22(28)19-12-9-16(24)13-20(19)25/h7-14,17H,2-6H2,1H3,(H,26,29) | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
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UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2706-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50536708
(CHEMBL4556501)Show SMILES O=C1N[C@@H]([C@H](O1)c1ccccc1)c1ccnc(c1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C22H16N2O2/c25-22-24-20(21(26-22)17-9-5-2-6-10-17)18-13-14-23-19(15-18)12-11-16-7-3-1-4-8-16/h1-10,13-15,20-21H,(H,24,25)/t20-,21-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MPEPy from human mGluR5A transfected in HEK293 cell membranes after 60 mins by microbeta liquid scintillation counting analysis |
Bioorg Med Chem Lett 26: 4165-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.065
BindingDB Entry DOI: 10.7270/Q2HX1H5D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50208948
(2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-cyclohexyl...)Show SMILES Clc1ccc(cc1)-n1cc(nc1-c1ccccc1Cl)C(=O)NC1CCCCC1 Show InChI InChI=1S/C22H21Cl2N3O/c23-15-10-12-17(13-11-15)27-14-20(22(28)25-16-6-2-1-3-7-16)26-21(27)18-8-4-5-9-19(18)24/h4-5,8-14,16H,1-3,6-7H2,(H,25,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2706-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50536713
(CHEMBL4588437)Show SMILES Clc1ccc(cc1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C22H15ClN2O2/c23-19-10-8-17(9-11-19)21-20(25-22(26)27-21)18-12-16(13-24-14-18)7-6-15-4-2-1-3-5-15/h1-5,8-14,20-21H,(H,25,26)/t20-,21-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MPEPy from human mGluR5A transfected in HEK293 cell membranes after 60 mins by microbeta liquid scintillation counting analysis |
Bioorg Med Chem Lett 26: 4165-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.065
BindingDB Entry DOI: 10.7270/Q2HX1H5D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50131550
((3S)-3-{[(1S)-1-carbamoyl-2-{4-[difluoro(phosphono...)Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r| Show InChI InChI=1S/C23H25F4N3O11P2/c24-22(25,42(36,37)38)14-5-1-12(2-6-14)9-16(20(28)34)30-21(35)17(11-19(32)33)29-18(31)10-13-3-7-15(8-4-13)23(26,27)43(39,40)41/h1-8,16-17H,9-11H2,(H2,28,34)(H,29,31)(H,30,35)(H,32,33)(H2,36,37,38)(H2,39,40,41)/t16-,17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute
Curated by ChEMBL
| Assay Description
Inhibition of recombinant GST-tagged PTP1B (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrate measured after 2 to 3 min... |
Bioorg Med Chem Lett 27: 2166-2170 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024 |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
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
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 | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50536705
(CHEMBL4572894)Show SMILES Fc1cccc(F)c1[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C22H14F2N2O2/c23-17-7-4-8-18(24)19(17)21-20(26-22(27)28-21)16-11-15(12-25-13-16)10-9-14-5-2-1-3-6-14/h1-8,11-13,20-21H,(H,26,27)/t20-,21-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MPEPy from human mGluR5A transfected in HEK293 cell membranes after 60 mins by microbeta liquid scintillation counting analysis |
Bioorg Med Chem Lett 26: 4165-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.065
BindingDB Entry DOI: 10.7270/Q2HX1H5D |
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 | |
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