Found 198 hits with Last Name = 'mccauley' and Initial = 'jp' 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 |
|---|
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50199567
(6-methoxy-8-(4-methyl-[1,4]diazepan-1-yl)-4-oxo-1,...)Show SMILES COc1cc(N2CCCN(C)CC2)c2nc(cc(O)c2c1)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C27H33N5O4/c1-30-8-3-9-32(11-10-30)24-17-21(35-2)16-22-25(33)18-23(29-26(22)24)27(34)28-19-4-6-20(7-5-19)31-12-14-36-15-13-31/h4-7,16-18H,3,8-15H2,1-2H3,(H,28,34)(H,29,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from 5HT1B receptor transfected in CHO cells |
Bioorg Med Chem 15: 939-50 (2006)
Article DOI: 10.1016/j.bmc.2006.10.037
BindingDB Entry DOI: 10.7270/Q2445M3X |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50199566
(6-methoxy-8-(4-methyl-piperazin-1-yl)-4-oxo-1,4-di...)Show SMILES COc1cc(N2CCN(C)CC2)c2nc(cc(O)c2c1)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C26H31N5O4/c1-29-7-9-31(10-8-29)23-16-20(34-2)15-21-24(32)17-22(28-25(21)23)26(33)27-18-3-5-19(6-4-18)30-11-13-35-14-12-30/h3-6,15-17H,7-14H2,1-2H3,(H,27,33)(H,28,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from 5HT1B receptor transfected in CHO cells |
Bioorg Med Chem 15: 939-50 (2006)
Article DOI: 10.1016/j.bmc.2006.10.037
BindingDB Entry DOI: 10.7270/Q2445M3X |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50199558
(6-fluoro-8-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dih...)Show SMILES CN1CCN(CC1)c1cc(F)cc2c(O)cc(nc12)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C25H28FN5O3/c1-29-6-8-31(9-7-29)22-15-17(26)14-20-23(32)16-21(28-24(20)22)25(33)27-18-2-4-19(5-3-18)30-10-12-34-13-11-30/h2-5,14-16H,6-13H2,1H3,(H,27,33)(H,28,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from 5HT1B receptor transfected in CHO cells |
Bioorg Med Chem 15: 939-50 (2006)
Article DOI: 10.1016/j.bmc.2006.10.037
BindingDB Entry DOI: 10.7270/Q2445M3X |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50199565
(6-fluoro-4-methoxy-8-(4-methyl-piperazin-1-yl)-qui...)Show SMILES COc1cc(nc2c(cc(F)cc12)N1CCN(C)CC1)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C26H30FN5O3/c1-30-7-9-32(10-8-30)23-16-18(27)15-21-24(34-2)17-22(29-25(21)23)26(33)28-19-3-5-20(6-4-19)31-11-13-35-14-12-31/h3-6,15-17H,7-14H2,1-2H3,(H,28,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from 5HT1B receptor transfected in CHO cells |
Bioorg Med Chem 15: 939-50 (2006)
Article DOI: 10.1016/j.bmc.2006.10.037
BindingDB Entry DOI: 10.7270/Q2445M3X |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50199559
(8-((3R)-(+)-3-dimethylamino-pyrrolidin-1-yl)-6-met...)Show SMILES COc1cc(N2CC[C@H](C2)N(C)C)c2nc(cc(O)c2c1)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C27H33N5O4/c1-30(2)20-8-9-32(17-20)24-15-21(35-3)14-22-25(33)16-23(29-26(22)24)27(34)28-18-4-6-19(7-5-18)31-10-12-36-13-11-31/h4-7,14-16,20H,8-13,17H2,1-3H3,(H,28,34)(H,29,33)/t20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from 5HT1B receptor transfected in CHO cells |
Bioorg Med Chem 15: 939-50 (2006)
Article DOI: 10.1016/j.bmc.2006.10.037
BindingDB Entry DOI: 10.7270/Q2445M3X |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50199564
(4-dimethylamino-6-methoxy-8-(4-methyl-piperazin-1-...)Show SMILES COc1cc(N2CCN(C)CC2)c2nc(cc(N(C)C)c2c1)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C28H36N6O3/c1-31(2)25-19-24(28(35)29-20-5-7-21(8-6-20)33-13-15-37-16-14-33)30-27-23(25)17-22(36-4)18-26(27)34-11-9-32(3)10-12-34/h5-8,17-19H,9-16H2,1-4H3,(H,29,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from 5HT1B receptor transfected in CHO cells |
Bioorg Med Chem 15: 939-50 (2006)
Article DOI: 10.1016/j.bmc.2006.10.037
BindingDB Entry DOI: 10.7270/Q2445M3X |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50199562
(8-[ethyl-(1-ethyl-pyrrolidin-3-yl)-amino]-6-methox...)Show SMILES CCN(C1CCN(CC)C1)c1cc(OC)cc2c(O)cc(nc12)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C29H37N5O4/c1-4-32-11-10-22(19-32)34(5-2)26-17-23(37-3)16-24-27(35)18-25(31-28(24)26)29(36)30-20-6-8-21(9-7-20)33-12-14-38-15-13-33/h6-9,16-18,22H,4-5,10-15,19H2,1-3H3,(H,30,36)(H,31,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from 5HT1B receptor transfected in CHO cells |
Bioorg Med Chem 15: 939-50 (2006)
Article DOI: 10.1016/j.bmc.2006.10.037
BindingDB Entry DOI: 10.7270/Q2445M3X |
More data for this
Ligand-Target Pair | |
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) |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50199561
(8-[(3-dimethylamino-propyl)-methyl-amino]-6-methox...)Show SMILES COc1cc(N(C)CCCN(C)C)c2nc(cc(O)c2c1)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C27H35N5O4/c1-30(2)10-5-11-31(3)24-17-21(35-4)16-22-25(33)18-23(29-26(22)24)27(34)28-19-6-8-20(9-7-19)32-12-14-36-15-13-32/h6-9,16-18H,5,10-15H2,1-4H3,(H,28,34)(H,29,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 292 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from 5HT1B receptor transfected in CHO cells |
Bioorg Med Chem 15: 939-50 (2006)
Article DOI: 10.1016/j.bmc.2006.10.037
BindingDB Entry DOI: 10.7270/Q2445M3X |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50199563
(8-[(2-dimethylamino-ethyl)-methyl-amino]-6-methoxy...)Show SMILES COc1cc(N(C)CCN(C)C)c2nc(cc(O)c2c1)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C26H33N5O4/c1-29(2)9-10-30(3)23-16-20(34-4)15-21-24(32)17-22(28-25(21)23)26(33)27-18-5-7-19(8-6-18)31-11-13-35-14-12-31/h5-8,15-17H,9-14H2,1-4H3,(H,27,33)(H,28,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 392 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from 5HT1B receptor transfected in CHO cells |
Bioorg Med Chem 15: 939-50 (2006)
Article DOI: 10.1016/j.bmc.2006.10.037
BindingDB Entry DOI: 10.7270/Q2445M3X |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50199560
(6-methoxy-8-[methyl-(1-methyl-pyrrolidin-3-yl)-ami...)Show SMILES COc1cc(N(C)C2CCN(C)C2)c2nc(cc(O)c2c1)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C27H33N5O4/c1-30-9-8-20(17-30)31(2)24-15-21(35-3)14-22-25(33)16-23(29-26(22)24)27(34)28-18-4-6-19(7-5-18)32-10-12-36-13-11-32/h4-7,14-16,20H,8-13,17H2,1-3H3,(H,28,34)(H,29,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from 5HT1B receptor transfected in CHO cells |
Bioorg Med Chem 15: 939-50 (2006)
Article DOI: 10.1016/j.bmc.2006.10.037
BindingDB Entry DOI: 10.7270/Q2445M3X |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50199557
(8-((3S)-3-dimethylamino-pyrrolidin-1-yl)-6-methoxy...)Show SMILES COc1cc(N2CC[C@@H](C2)N(C)C)c2nc(cc(O)c2c1)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C27H33N5O4/c1-30(2)20-8-9-32(17-20)24-15-21(35-3)14-22-25(33)16-23(29-26(22)24)27(34)28-18-4-6-19(7-5-18)31-10-12-36-13-11-31/h4-7,14-16,20H,8-13,17H2,1-3H3,(H,28,34)(H,29,33)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from 5HT1B receptor transfected in CHO cells |
Bioorg Med Chem 15: 939-50 (2006)
Article DOI: 10.1016/j.bmc.2006.10.037
BindingDB Entry DOI: 10.7270/Q2445M3X |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50199568
(6-methoxy-4-methylamino-8-(4-methyl-piperazin-1-yl...)Show SMILES CNc1cc(nc2c(cc(OC)cc12)N1CCN(C)CC1)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C27H34N6O3/c1-28-23-18-24(27(34)29-19-4-6-20(7-5-19)32-12-14-36-15-13-32)30-26-22(23)16-21(35-3)17-25(26)33-10-8-31(2)9-11-33/h4-7,16-18H,8-15H2,1-3H3,(H,28,30)(H,29,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals LP
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from 5HT1B receptor transfected in CHO cells |
Bioorg Med Chem 15: 939-50 (2006)
Article DOI: 10.1016/j.bmc.2006.10.037
BindingDB Entry DOI: 10.7270/Q2445M3X |
More data for this
Ligand-Target Pair | |
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)) | BDBM50362312
(CHEMBL1939740)Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccccn2)CC1)c1cccc(NC(=O)C2CC2)c1 |r| Show InChI InChI=1S/C32H39N5O2/c1-3-36(4-2)32(39)26-15-11-24(12-16-26)30(27-8-7-10-28(22-27)34-31(38)25-13-14-25)37-20-18-35(19-21-37)23-29-9-5-6-17-33-29/h5-12,15-17,22,25,30H,3-4,13-14,18-21,23H2,1-2H3,(H,34,38)/t30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0680 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [I125]deltorphin from delta-opioid receptor overexpressed in human HEK293 cells |
Bioorg Med Chem Lett 22: 1169-73 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.088
BindingDB Entry DOI: 10.7270/Q269741B |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50362304
(CHEMBL1939746)Show SMILES CCOC(=O)Nc1cccc(c1)[C@H](N1CCN(Cc2cscn2)CC1)c1ccc(cc1)C(=O)N(CC)CC |r| Show InChI InChI=1S/C29H37N5O3S/c1-4-33(5-2)28(35)23-12-10-22(11-13-23)27(24-8-7-9-25(18-24)31-29(36)37-6-3)34-16-14-32(15-17-34)19-26-20-38-21-30-26/h7-13,18,20-21,27H,4-6,14-17,19H2,1-3H3,(H,31,36)/t27-/m1/s1 | 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 | 0.0710 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [I125]deltorphin from delta-opioid receptor overexpressed in human HEK293 cells |
Bioorg Med Chem Lett 22: 1169-73 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.088
BindingDB Entry DOI: 10.7270/Q269741B |
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)) | BDBM50362299
(CHEMBL1939751)Show SMILES CCN(C)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2cscn2)CC1)c1cccc(NC(=O)OC)c1 |r| Show InChI InChI=1S/C27H33N5O3S/c1-4-30(2)26(33)21-10-8-20(9-11-21)25(22-6-5-7-23(16-22)29-27(34)35-3)32-14-12-31(13-15-32)17-24-18-36-19-28-24/h5-11,16,18-19,25H,4,12-15,17H2,1-3H3,(H,29,34)/t25-/m1/s1 | 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 | 0.0940 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [I125]deltorphin from delta-opioid receptor overexpressed in human HEK293 cells |
Bioorg Med Chem Lett 22: 1169-73 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.088
BindingDB Entry DOI: 10.7270/Q269741B |
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)) | BDBM50362301
(CHEMBL1939749)Show SMILES CCOC(=O)Nc1cccc(c1)[C@H](N1CCN(Cc2[nH]cnc2C)CC1)c1ccc(cc1)C(=O)N(C)CC |r| Show InChI InChI=1S/C29H38N6O3/c1-5-33(4)28(36)23-12-10-22(11-13-23)27(24-8-7-9-25(18-24)32-29(37)38-6-2)35-16-14-34(15-17-35)19-26-21(3)30-20-31-26/h7-13,18,20,27H,5-6,14-17,19H2,1-4H3,(H,30,31)(H,32,37)/t27-/m1/s1 | 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 [I125]deltorphin from delta-opioid receptor overexpressed in human HEK293 cells |
Bioorg Med Chem Lett 22: 1169-73 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.088
BindingDB Entry DOI: 10.7270/Q269741B |
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)) | BDBM50362293
(CHEMBL1939738)Show SMILES CN(CCO)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccc(F)cc2)CC1)c1cccc(NC(=O)C2CC2)c1 |r| Show InChI InChI=1S/C32H37FN4O3/c1-35(19-20-38)32(40)26-11-7-24(8-12-26)30(27-3-2-4-29(21-27)34-31(39)25-9-10-25)37-17-15-36(16-18-37)22-23-5-13-28(33)14-6-23/h2-8,11-14,21,25,30,38H,9-10,15-20,22H2,1H3,(H,34,39)/t30-/m1/s1 | 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 [I125]deltorphin from delta-opioid receptor overexpressed in human HEK293 cells |
Bioorg Med Chem Lett 22: 1169-73 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.088
BindingDB Entry DOI: 10.7270/Q269741B |
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)) | BDBM50362294
(CHEMBL1939737)Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccc(F)cc2)CC1)c1cccc(NC(=O)C2CC2)c1 |r| Show InChI InChI=1S/C33H39FN4O2/c1-3-37(4-2)33(40)27-14-10-25(11-15-27)31(28-6-5-7-30(22-28)35-32(39)26-12-13-26)38-20-18-36(19-21-38)23-24-8-16-29(34)17-9-24/h5-11,14-17,22,26,31H,3-4,12-13,18-21,23H2,1-2H3,(H,35,39)/t31-/m1/s1 | 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 | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [I125]deltorphin from delta-opioid receptor overexpressed in human HEK293 cells |
Bioorg Med Chem Lett 22: 1169-73 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.088
BindingDB Entry DOI: 10.7270/Q269741B |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50362307
(CHEMBL1939736)Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2cncs2)CC1)c1cccc(NC(=O)OC)c1 |r| Show InChI InChI=1S/C28H35N5O3S/c1-4-32(5-2)27(34)22-11-9-21(10-12-22)26(23-7-6-8-24(17-23)30-28(35)36-3)33-15-13-31(14-16-33)19-25-18-29-20-37-25/h6-12,17-18,20,26H,4-5,13-16,19H2,1-3H3,(H,30,35)/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.350 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [I125]deltorphin from delta-opioid receptor overexpressed in human HEK293 cells |
Bioorg Med Chem Lett 22: 1169-73 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.088
BindingDB Entry DOI: 10.7270/Q269741B |
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)) | BDBM50362306
(CHEMBL1939735)Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2cccnc2)CC1)c1cccc(NC(=O)OC)c1 |r| Show InChI InChI=1S/C30H37N5O3/c1-4-34(5-2)29(36)25-13-11-24(12-14-25)28(26-9-6-10-27(20-26)32-30(37)38-3)35-18-16-33(17-19-35)22-23-8-7-15-31-21-23/h6-15,20-21,28H,4-5,16-19,22H2,1-3H3,(H,32,37)/t28-/m1/s1 | 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 | 0.680 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [I125]deltorphin from delta-opioid receptor overexpressed in human HEK293 cells |
Bioorg Med Chem Lett 22: 1169-73 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.088
BindingDB Entry DOI: 10.7270/Q269741B |
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)) | BDBM50362300
(CHEMBL1939750)Show SMILES CCOC(=O)Nc1cccc(c1)[C@H](N1CCN(Cc2cnc(C)[nH]2)CC1)c1ccc(cc1)C(=O)N(C)CC |r| Show InChI InChI=1S/C29H38N6O3/c1-5-33(4)28(36)23-12-10-22(11-13-23)27(24-8-7-9-25(18-24)32-29(37)38-6-2)35-16-14-34(15-17-35)20-26-19-30-21(3)31-26/h7-13,18-19,27H,5-6,14-17,20H2,1-4H3,(H,30,31)(H,32,37)/t27-/m1/s1 | 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 [I125]deltorphin from delta-opioid receptor overexpressed in human HEK293 cells |
Bioorg Med Chem Lett 22: 1169-73 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.088
BindingDB Entry DOI: 10.7270/Q269741B |
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)) | BDBM50362305
(CHEMBL1939745)Show SMILES CCOC(=O)Nc1ccccc1[C@H](N1CCN(Cc2cscn2)CC1)c1ccc(cc1)C(=O)N(CC)CC |r| Show InChI InChI=1S/C29H37N5O3S/c1-4-33(5-2)28(35)23-13-11-22(12-14-23)27(25-9-7-8-10-26(25)31-29(36)37-6-3)34-17-15-32(16-18-34)19-24-20-38-21-30-24/h7-14,20-21,27H,4-6,15-19H2,1-3H3,(H,31,36)/t27-/m1/s1 | 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 [I125]deltorphin from delta-opioid receptor overexpressed in human HEK293 cells |
Bioorg Med Chem Lett 22: 1169-73 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.088
BindingDB Entry DOI: 10.7270/Q269741B |
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)) | BDBM50362313
(CHEMBL1939739)Show SMILES Fc1ccc(CN2CCN(CC2)[C@H](c2ccc(cc2)C(=O)N2CCC2)c2cccc(NC(=O)C3CC3)c2)cc1 |r| Show InChI InChI=1S/C32H35FN4O2/c33-28-13-5-23(6-14-28)22-35-17-19-36(20-18-35)30(24-7-11-26(12-8-24)32(39)37-15-2-16-37)27-3-1-4-29(21-27)34-31(38)25-9-10-25/h1,3-8,11-14,21,25,30H,2,9-10,15-20,22H2,(H,34,38)/t30-/m1/s1 | 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 | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [I125]deltorphin from delta-opioid receptor overexpressed in human HEK293 cells |
Bioorg Med Chem Lett 22: 1169-73 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.088
BindingDB Entry DOI: 10.7270/Q269741B |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50362310
(CHEMBL1939743)Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1CCN(CCOC)CC1)c1cccc(NC(=O)C2CC2)c1 |r| Show InChI InChI=1S/C29H40N4O3/c1-4-32(5-2)29(35)24-13-9-22(10-14-24)27(33-17-15-31(16-18-33)19-20-36-3)25-7-6-8-26(21-25)30-28(34)23-11-12-23/h6-10,13-14,21,23,27H,4-5,11-12,15-20H2,1-3H3,(H,30,34)/t27-/m1/s1 | 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 | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [I125]deltorphin from delta-opioid receptor overexpressed in human HEK293 cells |
Bioorg Med Chem Lett 22: 1169-73 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.088
BindingDB Entry DOI: 10.7270/Q269741B |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50362303
(CHEMBL1939747)Show SMILES CCOC(=O)Nc1ccc(cc1)[C@H](N1CCN(Cc2cscn2)CC1)c1ccc(cc1)C(=O)N(CC)CC |r| Show InChI InChI=1S/C29H37N5O3S/c1-4-33(5-2)28(35)24-9-7-22(8-10-24)27(23-11-13-25(14-12-23)31-29(36)37-6-3)34-17-15-32(16-18-34)19-26-20-38-21-30-26/h7-14,20-21,27H,4-6,15-19H2,1-3H3,(H,31,36)/t27-/m1/s1 | 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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [I125]deltorphin from delta-opioid receptor overexpressed in human HEK293 cells |
Bioorg Med Chem Lett 22: 1169-73 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.088
BindingDB Entry DOI: 10.7270/Q269741B |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50362302
(CHEMBL1939748)Show SMILES CCOC(=O)Nc1ccccc1[C@H](N1CCN(Cc2ccccn2)CC1)c1ccc(cc1)C(=O)N(CC)CC |r| Show InChI InChI=1S/C31H39N5O3/c1-4-35(5-2)30(37)25-16-14-24(15-17-25)29(27-12-7-8-13-28(27)33-31(38)39-6-3)36-21-19-34(20-22-36)23-26-11-9-10-18-32-26/h7-18,29H,4-6,19-23H2,1-3H3,(H,33,38)/t29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [I125]deltorphin from delta-opioid receptor overexpressed in human HEK293 cells |
Bioorg Med Chem Lett 22: 1169-73 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.088
BindingDB Entry DOI: 10.7270/Q269741B |
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)) | BDBM50362296
(CHEMBL1939753)Show SMILES CCN(C)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccccn2)CC1)c1cccnc1 |r| Show InChI InChI=1S/C26H31N5O/c1-3-29(2)26(32)22-11-9-21(10-12-22)25(23-7-6-13-27-19-23)31-17-15-30(16-18-31)20-24-8-4-5-14-28-24/h4-14,19,25H,3,15-18,20H2,1-2H3/t25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [I125]deltorphin from delta-opioid receptor overexpressed in human HEK293 cells |
Bioorg Med Chem Lett 22: 1169-73 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.088
BindingDB Entry DOI: 10.7270/Q269741B |
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 |
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Ligand-Target Pair | |
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