Found 259 hits with Last Name = 'spear' and Initial = 'n' 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 |
|---|
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50156071
(3-Cyano-N-(2,5-diphenyl-2H-pyrazol-3-yl)-benzamide...)Show SMILES O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1cccc(c1)C#N Show InChI InChI=1S/C23H16N4O/c24-16-17-8-7-11-19(14-17)23(28)25-22-15-21(18-9-3-1-4-10-18)26-27(22)20-12-5-2-6-13-20/h1-15H,(H,25,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MPEP from human mGluR5 |
Bioorg Med Chem Lett 20: 7381-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.036
BindingDB Entry DOI: 10.7270/Q27S7P13 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50331975
(1-(4-(2-chloro-4-fluorophenyl)piperazin-1-yl)-2-(p...)Show InChI InChI=1S/C18H19ClFN3O2/c19-16-11-15(20)1-2-17(16)22-7-9-23(10-8-22)18(24)13-25-12-14-3-5-21-6-4-14/h1-6,11H,7-10,12-13H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MPEP from human mGluR5 |
Bioorg Med Chem Lett 20: 7381-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.036
BindingDB Entry DOI: 10.7270/Q27S7P13 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50363338
(CHEMBL1946023)Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccc(F)cc2)-[#6]-[#6]-1)\c1cccc(-[#7]-[#6](=O)-[#8]-[#6])c1 Show InChI InChI=1S/C32H36FN3O3/c1-4-36(5-2)31(37)26-13-11-24(12-14-26)30(27-7-6-8-29(21-27)34-32(38)39-3)25-17-19-35(20-18-25)22-23-9-15-28(33)16-10-23/h6-16,21H,4-5,17-20,22H2,1-3H3,(H,34,38) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0820 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 22: 1174-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50363340
(CHEMBL1946025)Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2cscn2)-[#6]-[#6]-1)\c1cccc2cccnc12 Show InChI InChI=1S/C30H32N4OS/c1-3-34(4-2)30(35)25-12-10-22(11-13-25)28(27-9-5-7-24-8-6-16-31-29(24)27)23-14-17-33(18-15-23)19-26-20-36-21-32-26/h5-13,16,20-21H,3-4,14-15,17-19H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 22: 1174-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50363344
(CHEMBL1946029)Show SMILES [#6]-[#7](-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2cscn2)-[#6]-[#6]-1)\c1cccc2cccnc12 Show InChI InChI=1S/C28H28N4OS/c1-31(2)28(33)23-10-8-20(9-11-23)26(25-7-3-5-22-6-4-14-29-27(22)25)21-12-15-32(16-13-21)17-24-18-34-19-30-24/h3-11,14,18-19H,12-13,15-17H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 22: 1174-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50363330
(CHEMBL1946016)Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccc(F)cc2)-[#6]-[#6]-1)\c1ccccn1 Show InChI InChI=1S/C29H32FN3O/c1-3-33(4-2)29(34)25-12-10-23(11-13-25)28(27-7-5-6-18-31-27)24-16-19-32(20-17-24)21-22-8-14-26(30)15-9-22/h5-15,18H,3-4,16-17,19-21H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 22: 1174-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50363341
(CHEMBL1946026)Show SMILES O=[#6](-[#7]-1-[#6]-[#6]-[#6]-[#6]-1)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2cscn2)-[#6]-[#6]-1)\c1cccc2cccnc12 Show InChI InChI=1S/C30H30N4OS/c35-30(34-15-1-2-16-34)25-10-8-22(9-11-25)28(27-7-3-5-24-6-4-14-31-29(24)27)23-12-17-33(18-13-23)19-26-20-36-21-32-26/h3-11,14,20-21H,1-2,12-13,15-19H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 22: 1174-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50363335
(CHEMBL1946020)Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccc(F)cc2)-[#6]-[#6]-1)\c1cccc(-[#7]-[#6](-[#6])=O)c1 Show InChI InChI=1S/C32H36FN3O2/c1-4-36(5-2)32(38)27-13-11-25(12-14-27)31(28-7-6-8-30(21-28)34-23(3)37)26-17-19-35(20-18-26)22-24-9-15-29(33)16-10-24/h6-16,21H,4-5,17-20,22H2,1-3H3,(H,34,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.220 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 22: 1174-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50363336
(CHEMBL1946021)Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccc(F)cc2)-[#6]-[#6]-1)\c1ccc(-[#7]-[#6](-[#6])=O)cc1 Show InChI InChI=1S/C32H36FN3O2/c1-4-36(5-2)32(38)28-10-8-25(9-11-28)31(26-12-16-30(17-13-26)34-23(3)37)27-18-20-35(21-19-27)22-24-6-14-29(33)15-7-24/h6-17H,4-5,18-22H2,1-3H3,(H,34,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 22: 1174-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50363333
(CHEMBL1944652)Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccc(F)cc2)-[#6]-[#6]-1)\c1cccc2cccnc12 Show InChI InChI=1S/C33H34FN3O/c1-3-37(4-2)33(38)28-14-12-25(13-15-28)31(30-9-5-7-27-8-6-20-35-32(27)30)26-18-21-36(22-19-26)23-24-10-16-29(34)17-11-24/h5-17,20H,3-4,18-19,21-23H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 22: 1174-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50363342
(CHEMBL1946027)Show SMILES [#6]-[#6]-[#7](-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2cscn2)-[#6]-[#6]-1)\c1cccc2cccnc12 Show InChI InChI=1S/C29H30N4OS/c1-3-32(2)29(34)24-11-9-21(10-12-24)27(26-8-4-6-23-7-5-15-30-28(23)26)22-13-16-33(17-14-22)18-25-19-35-20-31-25/h4-12,15,19-20H,3,13-14,16-18H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.270 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 22: 1174-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50363348
(CHEMBL1946618)Show SMILES [#6]-[#7](-[#6]-[#6]-[#8])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2cscn2)-[#6]-[#6]-1)\c1cccc2cccnc12 Show InChI InChI=1S/C29H30N4O2S/c1-32(16-17-34)29(35)24-9-7-21(8-10-24)27(26-6-2-4-23-5-3-13-30-28(23)26)22-11-14-33(15-12-22)18-25-19-36-20-31-25/h2-10,13,19-20,34H,11-12,14-18H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 22: 1174-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50363343
(CHEMBL1946028)Show SMILES O=[#6](-[#7]-1-[#6]-[#6]-[#6]-1)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2cscn2)-[#6]-[#6]-1)\c1cccc2cccnc12 Show InChI InChI=1S/C29H28N4OS/c34-29(33-14-3-15-33)24-9-7-21(8-10-24)27(26-6-1-4-23-5-2-13-30-28(23)26)22-11-16-32(17-12-22)18-25-19-35-20-31-25/h1-2,4-10,13,19-20H,3,11-12,14-18H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.390 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 22: 1174-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50092711
(CHEMBL339457 | N,N-Diethyl-4-[(3-fluoro-phenyl)-pi...)Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(F)c1 Show InChI InChI=1S/C23H27FN2O/c1-3-26(4-2)23(27)19-10-8-17(9-11-19)22(18-12-14-25-15-13-18)20-6-5-7-21(24)16-20/h5-11,16,25H,3-4,12-15H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.440 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 22: 1174-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50363334
(CHEMBL1946019)Show SMILES [#6]-[#6]-[#7](-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccc(F)cc2)-[#6]-[#6]-1)\c1ccccc1-[#7]-[#6](-[#6])=O Show InChI InChI=1S/C31H34FN3O2/c1-4-34(3)31(37)26-13-11-24(12-14-26)30(28-7-5-6-8-29(28)33-22(2)36)25-17-19-35(20-18-25)21-23-9-15-27(32)16-10-23/h5-16H,4,17-21H2,1-3H3,(H,33,36) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 22: 1174-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50363327
(CHEMBL1946620)Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2cscn2)-[#6]-[#6]-1)\c1ccccn1 Show InChI InChI=1S/C26H30N4OS/c1-3-30(4-2)26(31)22-10-8-20(9-11-22)25(24-7-5-6-14-27-24)21-12-15-29(16-13-21)17-23-18-32-19-28-23/h5-11,14,18-19H,3-4,12-13,15-17H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 22: 1174-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50363347
(CHEMBL1946617)Show SMILES [#8]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2cscn2)-[#6]-[#6]-1)\c1cccc2cccnc12 Show InChI InChI=1S/C31H32N4O2S/c36-27-12-17-35(18-13-27)31(37)25-8-6-22(7-9-25)29(28-5-1-3-24-4-2-14-32-30(24)28)23-10-15-34(16-11-23)19-26-20-38-21-33-26/h1-9,14,20-21,27,36H,10-13,15-19H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 22: 1174-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50363345
(CHEMBL1946615)Show SMILES O=[#6](-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2cscn2)-[#6]-[#6]-1)\c1cccc2cccnc12 Show InChI InChI=1S/C30H30N4O2S/c35-30(34-15-17-36-18-16-34)25-8-6-22(7-9-25)28(27-5-1-3-24-4-2-12-31-29(24)27)23-10-13-33(14-11-23)19-26-20-37-21-32-26/h1-9,12,20-21H,10-11,13-19H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.670 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 22: 1174-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50363331
(CHEMBL1946017)Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccc(F)cc2)-[#6]-[#6]-1)\c1cccnc1 Show InChI InChI=1S/C29H32FN3O/c1-3-33(4-2)29(34)25-11-9-23(10-12-25)28(26-6-5-17-31-20-26)24-15-18-32(19-16-24)21-22-7-13-27(30)14-8-22/h5-14,17,20H,3-4,15-16,18-19,21H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 22: 1174-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50363339
(CHEMBL1946024)Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccc(F)cc2)-[#6]-[#6]-1)\c1ccc(-[#7]-[#6](=O)-[#8]-[#6])cc1 Show InChI InChI=1S/C32H36FN3O3/c1-4-36(5-2)31(37)27-10-8-24(9-11-27)30(25-12-16-29(17-13-25)34-32(38)39-3)26-18-20-35(21-19-26)22-23-6-14-28(33)15-7-23/h6-17H,4-5,18-22H2,1-3H3,(H,34,38) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.75 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 22: 1174-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50363329
(CHEMBL1946015)Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccc(F)cc2)-[#6]-[#6]-1)\c1cccc(F)c1 Show InChI InChI=1S/C30H32F2N2O/c1-3-34(4-2)30(35)25-12-10-23(11-13-25)29(26-6-5-7-28(32)20-26)24-16-18-33(19-17-24)21-22-8-14-27(31)15-9-22/h5-15,20H,3-4,16-19,21H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.780 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 22: 1174-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50363337
(CHEMBL1946022)Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccc(F)cc2)-[#6]-[#6]-1)\c1ccccc1-[#7]-[#6](=O)-[#8]-[#6] Show InChI InChI=1S/C32H36FN3O3/c1-4-36(5-2)31(37)26-14-12-24(13-15-26)30(28-8-6-7-9-29(28)34-32(38)39-3)25-18-20-35(21-19-25)22-23-10-16-27(33)17-11-23/h6-17H,4-5,18-22H2,1-3H3,(H,34,38) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 22: 1174-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50363326
(CHEMBL1946619)Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccccn1 Show InChI InChI=1S/C22H27N3O/c1-3-25(4-2)22(26)19-10-8-17(9-11-19)21(18-12-15-23-16-13-18)20-7-5-6-14-24-20/h5-11,14,23H,3-4,12-13,15-16H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 22: 1174-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50363328
(CHEMBL1946621)Show SMILES [#6]-[#7](-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2cscn2)-[#6]-[#6]-1)\c1ccccn1 Show InChI InChI=1S/C24H26N4OS/c1-27(2)24(29)20-8-6-18(7-9-20)23(22-5-3-4-12-25-22)19-10-13-28(14-11-19)15-21-16-30-17-26-21/h3-9,12,16-17H,10-11,13-15H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 22: 1174-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50363346
(CHEMBL1946616)Show SMILES [#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2cscn2)-[#6]-[#6]-1)\c1cccc2cccnc12 Show InChI InChI=1S/C31H33N5OS/c1-34-16-18-36(19-17-34)31(37)26-9-7-23(8-10-26)29(28-6-2-4-25-5-3-13-32-30(25)28)24-11-14-35(15-12-24)20-27-21-38-22-33-27/h2-10,13,21-22H,11-12,14-20H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 22: 1174-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50276409
((1S,2S)-N-(2-methoxyethyl)-2-(thiophen-3-yl)-1,2,3...)Show InChI InChI=1S/C17H21NOS/c1-19-10-9-18-17-15-5-3-2-4-13(15)6-7-16(17)14-8-11-20-12-14/h2-5,8,11-12,16-18H,6-7,9-10H2,1H3/t16-,17+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor |
Bioorg Med Chem Lett 19: 1228-32 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.095
BindingDB Entry DOI: 10.7270/Q2GT5N2W |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50363338
(CHEMBL1946023)Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccc(F)cc2)-[#6]-[#6]-1)\c1cccc(-[#7]-[#6](=O)-[#8]-[#6])c1 Show InChI InChI=1S/C32H36FN3O3/c1-4-36(5-2)31(37)26-13-11-24(12-14-26)30(27-7-6-8-29(21-27)34-32(38)39-3)25-17-19-35(20-18-25)22-23-9-15-28(33)16-10-23/h6-16,21H,4-5,17-20,22H2,1-3H3,(H,34,38) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled FK33-824 from mu opioid receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 22: 1174-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50276496
(3-chloro-N-(2-methoxyethyl)-N-((1R,2R)-2-(4-phenyl...)Show SMILES COCCN([C@H]1[C@@H](C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)c1sccc1Cl |r,c:7| Show InChI InChI=1S/C28H30ClN3O2S/c1-34-19-18-32(28(33)27-24(29)13-20-35-27)26-23-10-6-5-7-21(23)11-12-25(26)31-16-14-30(15-17-31)22-8-3-2-4-9-22/h2-13,20,25-26H,14-19H2,1H3/t25-,26-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor |
Bioorg Med Chem Lett 19: 1228-32 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.095
BindingDB Entry DOI: 10.7270/Q2GT5N2W |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50363335
(CHEMBL1946020)Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccc(F)cc2)-[#6]-[#6]-1)\c1cccc(-[#7]-[#6](-[#6])=O)c1 Show InChI InChI=1S/C32H36FN3O2/c1-4-36(5-2)32(38)27-13-11-25(12-14-27)31(28-7-6-8-30(21-28)34-23(3)37)26-17-19-35(20-18-26)22-24-9-15-29(33)16-10-24/h6-16,21H,4-5,17-20,22H2,1-3H3,(H,34,37) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled FK33-824 from mu opioid receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 22: 1174-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50276363
((+/-)-N-(2-methoxyethyl)-2-(thiophen-3-yl)-1,2,3,4...)Show InChI InChI=1S/C17H21NOS/c1-19-10-9-18-17-15-5-3-2-4-13(15)6-7-16(17)14-8-11-20-12-14/h2-5,8,11-12,16-18H,6-7,9-10H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor |
Bioorg Med Chem Lett 19: 1228-32 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.095
BindingDB Entry DOI: 10.7270/Q2GT5N2W |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50226448
((6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-...)Show SMILES COc1cccc(c1)-c1cccc(CC[C@]2(C)CC(=O)N(C)C(N)=N2)c1 |c:24| Show InChI InChI=1S/C21H25N3O2/c1-21(14-19(25)24(2)20(22)23-21)11-10-15-6-4-7-16(12-15)17-8-5-9-18(13-17)26-3/h4-9,12-13H,10-11,14H2,1-3H3,(H2,22,23)/t21-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by FRET assay |
J Med Chem 50: 5912-25 (2007)
Article DOI: 10.1021/jm070829p
BindingDB Entry DOI: 10.7270/Q2B27V0D |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50276495
((+/-)-3-chloro-N-(2-methoxyethyl)-N-(2-(4-phenylpi...)Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)c1sccc1Cl |c:7| Show InChI InChI=1S/C28H30ClN3O2S/c1-34-19-18-32(28(33)27-24(29)13-20-35-27)26-23-10-6-5-7-21(23)11-12-25(26)31-16-14-30(15-17-31)22-8-3-2-4-9-22/h2-13,20,25-26H,14-19H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor |
Bioorg Med Chem Lett 19: 1228-32 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.095
BindingDB Entry DOI: 10.7270/Q2GT5N2W |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50276411
((+/-)-N-(2-methoxyethyl)-N-(2-(4-phenylpiperazin-1...)Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)c1ccco1 |c:7| Show InChI InChI=1S/C28H31N3O3/c1-33-21-19-31(28(32)26-12-7-20-34-26)27-24-11-6-5-8-22(24)13-14-25(27)30-17-15-29(16-18-30)23-9-3-2-4-10-23/h2-14,20,25,27H,15-19,21H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor |
Bioorg Med Chem Lett 19: 1228-32 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.095
BindingDB Entry DOI: 10.7270/Q2GT5N2W |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50363341
(CHEMBL1946026)Show SMILES O=[#6](-[#7]-1-[#6]-[#6]-[#6]-[#6]-1)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2cscn2)-[#6]-[#6]-1)\c1cccc2cccnc12 Show InChI InChI=1S/C30H30N4OS/c35-30(34-15-1-2-16-34)25-10-8-22(9-11-25)28(27-7-3-5-24-6-4-14-31-29(24)27)23-12-17-33(18-13-23)19-26-20-36-21-32-26/h3-11,14,20-21H,1-2,12-13,15-19H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled FK33-824 from mu opioid receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 22: 1174-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50276445
((+/-)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)-N-(2-...)Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)Cc1cccc(OC)c1 |c:7| Show InChI InChI=1S/C32H37N3O3/c1-37-22-21-35(31(36)24-25-9-8-13-28(23-25)38-2)32-29-14-7-6-10-26(29)15-16-30(32)34-19-17-33(18-20-34)27-11-4-3-5-12-27/h3-16,23,30,32H,17-22,24H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 151 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor |
Bioorg Med Chem Lett 19: 1228-32 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.095
BindingDB Entry DOI: 10.7270/Q2GT5N2W |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50276497
((+/-)-2-(4-chlorophenoxy)-N-(2-(dimethylamino)-6,7...)Show SMILES COCCN(C1C(CCc2cc(OC)c(OC)cc12)N(C)C)C(=O)COc1ccc(Cl)cc1 Show InChI InChI=1S/C25H33ClN2O5/c1-27(2)21-11-6-17-14-22(31-4)23(32-5)15-20(17)25(21)28(12-13-30-3)24(29)16-33-19-9-7-18(26)8-10-19/h7-10,14-15,21,25H,6,11-13,16H2,1-5H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description
Displacement of [125I]U69593 from human cloned kappa opioid receptor |
Bioorg Med Chem Lett 19: 1228-32 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.095
BindingDB Entry DOI: 10.7270/Q2GT5N2W |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50363336
(CHEMBL1946021)Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccc(F)cc2)-[#6]-[#6]-1)\c1ccc(-[#7]-[#6](-[#6])=O)cc1 Show InChI InChI=1S/C32H36FN3O2/c1-4-36(5-2)32(38)28-10-8-25(9-11-28)31(26-12-16-30(17-13-26)34-23(3)37)27-18-20-35(21-19-27)22-24-6-14-29(33)15-7-24/h6-17H,4-5,18-22H2,1-3H3,(H,34,37) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled FK33-824 from mu opioid receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 22: 1174-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50363340
(CHEMBL1946025)Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2cscn2)-[#6]-[#6]-1)\c1cccc2cccnc12 Show InChI InChI=1S/C30H32N4OS/c1-3-34(4-2)30(35)25-12-10-22(11-13-25)28(27-9-5-7-24-8-6-16-31-29(24)27)23-14-17-33(18-15-23)19-26-20-36-21-32-26/h5-13,16,20-21H,3-4,14-15,17-19H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled FK33-824 from mu opioid receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 22: 1174-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50276446
((+/-)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-N-(2-(...)Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)Cc1ccc(Cl)cc1 |c:7| Show InChI InChI=1S/C31H34ClN3O2/c1-37-22-21-35(30(36)23-24-11-14-26(32)15-12-24)31-28-10-6-5-7-25(28)13-16-29(31)34-19-17-33(18-20-34)27-8-3-2-4-9-27/h2-16,29,31H,17-23H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 181 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor |
Bioorg Med Chem Lett 19: 1228-32 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.095
BindingDB Entry DOI: 10.7270/Q2GT5N2W |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50226454
(2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-d...)Show SMILES COc1cccc(c1)-c1cccc(CCC2(C)CC(=O)N(C)C(N)=N2)c1 |c:24| Show InChI InChI=1S/C21H25N3O2/c1-21(14-19(25)24(2)20(22)23-21)11-10-15-6-4-7-16(12-15)17-8-5-9-18(13-17)26-3/h4-9,12-13H,10-11,14H2,1-3H3,(H2,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by FRET assay |
J Med Chem 50: 5912-25 (2007)
Article DOI: 10.1021/jm070829p
BindingDB Entry DOI: 10.7270/Q2B27V0D |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50363346
(CHEMBL1946616)Show SMILES [#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2cscn2)-[#6]-[#6]-1)\c1cccc2cccnc12 Show InChI InChI=1S/C31H33N5OS/c1-34-16-18-36(19-17-34)31(37)26-9-7-23(8-10-26)29(28-6-2-4-25-5-3-13-32-30(25)28)24-11-14-35(15-12-24)20-27-21-38-22-33-27/h2-10,13,21-22H,11-12,14-20H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled FK33-824 from mu opioid receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 22: 1174-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50363332
(CHEMBL1946018)Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccc(F)cc2)-[#6]-[#6]-1)\c1ccncc1 Show InChI InChI=1S/C29H32FN3O/c1-3-33(4-2)29(34)26-9-7-23(8-10-26)28(24-13-17-31-18-14-24)25-15-19-32(20-16-25)21-22-5-11-27(30)12-6-22/h5-14,17-18H,3-4,15-16,19-21H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 22: 1174-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50276444
((+/-)-2-(benzyloxy)-N-(2-methoxyethyl)-N-(2-(4-phe...)Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)COCc1ccccc1 |c:7| Show InChI InChI=1S/C32H37N3O3/c1-37-23-22-35(31(36)25-38-24-26-10-4-2-5-11-26)32-29-15-9-8-12-27(29)16-17-30(32)34-20-18-33(19-21-34)28-13-6-3-7-14-28/h2-17,30,32H,18-25H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 211 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor |
Bioorg Med Chem Lett 19: 1228-32 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.095
BindingDB Entry DOI: 10.7270/Q2GT5N2W |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50363347
(CHEMBL1946617)Show SMILES [#8]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2cscn2)-[#6]-[#6]-1)\c1cccc2cccnc12 Show InChI InChI=1S/C31H32N4O2S/c36-27-12-17-35(18-13-27)31(37)25-8-6-22(7-9-25)29(28-5-1-3-24-4-2-14-32-30(24)28)23-10-15-34(16-11-23)19-26-20-38-21-33-26/h1-9,14,20-21,27,36H,10-13,15-19H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled FK33-824 from mu opioid receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 22: 1174-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50276497
((+/-)-2-(4-chlorophenoxy)-N-(2-(dimethylamino)-6,7...)Show SMILES COCCN(C1C(CCc2cc(OC)c(OC)cc12)N(C)C)C(=O)COc1ccc(Cl)cc1 Show InChI InChI=1S/C25H33ClN2O5/c1-27(2)21-11-6-17-14-22(31-4)23(32-5)15-20(17)25(21)28(12-13-30-3)24(29)16-33-19-9-7-18(26)8-10-19/h7-10,14-15,21,25H,6,11-13,16H2,1-5H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 245 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor |
Bioorg Med Chem Lett 19: 1228-32 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.095
BindingDB Entry DOI: 10.7270/Q2GT5N2W |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50363343
(CHEMBL1946028)Show SMILES O=[#6](-[#7]-1-[#6]-[#6]-[#6]-1)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2cscn2)-[#6]-[#6]-1)\c1cccc2cccnc12 Show InChI InChI=1S/C29H28N4OS/c34-29(33-14-3-15-33)24-9-7-21(8-10-24)27(26-6-1-4-23-5-2-13-30-28(23)26)22-11-16-32(17-12-22)18-25-19-35-20-31-25/h1-2,4-10,13,19-20H,3,11-12,14-18H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled FK33-824 from mu opioid receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 22: 1174-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50363342
(CHEMBL1946027)Show SMILES [#6]-[#6]-[#7](-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2cscn2)-[#6]-[#6]-1)\c1cccc2cccnc12 Show InChI InChI=1S/C29H30N4OS/c1-3-32(2)29(34)24-11-9-21(10-12-24)27(26-8-4-6-23-7-5-15-30-28(23)26)22-13-16-33(17-14-22)18-25-19-35-20-31-25/h4-12,15,19-20H,3,13-14,16-18H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled FK33-824 from mu opioid receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 22: 1174-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50363344
(CHEMBL1946029)Show SMILES [#6]-[#7](-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2cscn2)-[#6]-[#6]-1)\c1cccc2cccnc12 Show InChI InChI=1S/C28H28N4OS/c1-31(2)28(33)23-10-8-20(9-11-23)26(25-7-3-5-22-6-4-14-29-27(22)25)21-12-15-32(16-13-21)17-24-18-34-19-30-24/h3-11,14,18-19H,12-13,15-17H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled FK33-824 from mu opioid receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 22: 1174-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50276498
((+/-)-3,4-dichloro-N-(2-(dimethylamino)-6,7-dimeth...)Show SMILES COCCN(C1C(CCc2cc(OC)c(OC)cc12)N(C)C)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C24H30Cl2N2O4/c1-27(2)20-9-7-15-13-21(31-4)22(32-5)14-17(15)23(20)28(10-11-30-3)24(29)16-6-8-18(25)19(26)12-16/h6,8,12-14,20,23H,7,9-11H2,1-5H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 351 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor |
Bioorg Med Chem Lett 19: 1228-32 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.095
BindingDB Entry DOI: 10.7270/Q2GT5N2W |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50226442
(2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5...)Show SMILES COc1cccc(c1)-c1cccc(c1)C1(C)CC(=O)N(C)C(N)=N1 |c:24| Show InChI InChI=1S/C19H21N3O2/c1-19(12-17(23)22(2)18(20)21-19)15-8-4-6-13(10-15)14-7-5-9-16(11-14)24-3/h4-11H,12H2,1-3H3,(H2,20,21) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by FRET assay |
J Med Chem 50: 5912-25 (2007)
Article DOI: 10.1021/jm070829p
BindingDB Entry DOI: 10.7270/Q2B27V0D |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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