Found 46 hits of Enzyme Inhibition Constant Data 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 |
|---|
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50254132
(CHEMBL4083940)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C30H34N2O2/c33-23-9-8-21-14-26-29-11-10-25-27(22(16-29)18-32(25)28(34)20-4-2-1-3-5-20)30(29,24(21)15-23)12-13-31(26)17-19-6-7-19/h1-5,8-9,15,19,22,25-27,33H,6-7,10-14,16-18H2/t22-,25?,26?,27?,29?,30?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.211 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254124
(CHEMBL4103044)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccoc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C28H32N2O3/c31-21-4-3-18-11-24-27-7-5-23-25(20(13-27)15-30(23)26(32)19-6-10-33-16-19)28(27,22(18)12-21)8-9-29(24)14-17-1-2-17/h3-4,6,10,12,16-17,20,23-25,31H,1-2,5,7-9,11,13-15H2/t20-,23?,24?,25?,27?,28?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.221 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from human recombinant KOR expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50254133
(CHEMBL4076632)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)Nc1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C30H35N3O2/c34-23-9-8-20-14-26-29-11-10-25-27(30(29,24(20)15-23)12-13-32(26)17-19-6-7-19)21(16-29)18-33(25)28(35)31-22-4-2-1-3-5-22/h1-5,8-9,15,19,21,25-27,34H,6-7,10-14,16-18H2,(H,31,35)/t21-,25?,26?,27?,29?,30?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.265 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50254124
(CHEMBL4103044)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccoc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C28H32N2O3/c31-21-4-3-18-11-24-27-7-5-23-25(20(13-27)15-30(23)26(32)19-6-10-33-16-19)28(27,22(18)12-21)8-9-29(24)14-17-1-2-17/h3-4,6,10,12,16-17,20,23-25,31H,1-2,5,7-9,11,13-15H2/t20-,23?,24?,25?,27?,28?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.313 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254133
(CHEMBL4076632)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)Nc1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C30H35N3O2/c34-23-9-8-20-14-26-29-11-10-25-27(30(29,24(20)15-23)12-13-32(26)17-19-6-7-19)21(16-29)18-33(25)28(35)31-22-4-2-1-3-5-22/h1-5,8-9,15,19,21,25-27,34H,6-7,10-14,16-18H2,(H,31,35)/t21-,25?,26?,27?,29?,30?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.336 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from human recombinant KOR expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50254131
(CHEMBL4094845)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)c1cnccn1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C27H32N4O/c32-20-4-3-18-11-23-26-6-5-22-25(19(13-26)16-31(22)24-14-28-8-9-29-24)27(26,21(18)12-20)7-10-30(23)15-17-1-2-17/h3-4,8-9,12,14,17,19,22-23,25,32H,1-2,5-7,10-11,13,15-16H2/t19-,22?,23?,25?,26?,27?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.356 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254132
(CHEMBL4083940)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C30H34N2O2/c33-23-9-8-21-14-26-29-11-10-25-27(22(16-29)18-32(25)28(34)20-4-2-1-3-5-20)30(29,24(21)15-23)12-13-31(26)17-19-6-7-19/h1-5,8-9,15,19,22,25-27,33H,6-7,10-14,16-18H2/t22-,25?,26?,27?,29?,30?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.362 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from human recombinant KOR expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254124
(CHEMBL4103044)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccoc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C28H32N2O3/c31-21-4-3-18-11-24-27-7-5-23-25(20(13-27)15-30(23)26(32)19-6-10-33-16-19)28(27,22(18)12-21)8-9-29(24)14-17-1-2-17/h3-4,6,10,12,16-17,20,23-25,31H,1-2,5,7-9,11,13-15H2/t20-,23?,24?,25?,27?,28?/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.455 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human recombinant MOR expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50254123
(CHEMBL4068691)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccccn1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C29H33N3O2/c33-21-7-6-19-13-25-28-9-8-24-26(20(15-28)17-32(24)27(34)23-3-1-2-11-30-23)29(28,22(19)14-21)10-12-31(25)16-18-4-5-18/h1-3,6-7,11,14,18,20,24-26,33H,4-5,8-10,12-13,15-17H2/t20-,24?,25?,26?,28?,29?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.458 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254131
(CHEMBL4094845)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)c1cnccn1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C27H32N4O/c32-20-4-3-18-11-23-26-6-5-22-25(19(13-26)16-31(22)24-14-28-8-9-29-24)27(26,21(18)12-20)7-10-30(23)15-17-1-2-17/h3-4,8-9,12,14,17,19,22-23,25,32H,1-2,5-7,10-11,13,15-16H2/t19-,22?,23?,25?,26?,27?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.479 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from human recombinant KOR expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254120
(CHEMBL4076681)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)Oc1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C30H34N2O3/c33-22-9-8-20-14-26-29-11-10-25-27(30(29,24(20)15-22)12-13-31(26)17-19-6-7-19)21(16-29)18-32(25)28(34)35-23-4-2-1-3-5-23/h1-5,8-9,15,19,21,25-27,33H,6-7,10-14,16-18H2/t21-,25?,26?,27?,29?,30?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.522 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from human recombinant KOR expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254133
(CHEMBL4076632)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)Nc1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C30H35N3O2/c34-23-9-8-20-14-26-29-11-10-25-27(30(29,24(20)15-23)12-13-32(26)17-19-6-7-19)21(16-29)18-33(25)28(35)31-22-4-2-1-3-5-22/h1-5,8-9,15,19,21,25-27,34H,6-7,10-14,16-18H2,(H,31,35)/t21-,25?,26?,27?,29?,30?/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.545 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human recombinant MOR expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254123
(CHEMBL4068691)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccccn1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C29H33N3O2/c33-21-7-6-19-13-25-28-9-8-24-26(20(15-28)17-32(24)27(34)23-3-1-2-11-30-23)29(28,22(19)14-21)10-12-31(25)16-18-4-5-18/h1-3,6-7,11,14,18,20,24-26,33H,4-5,8-10,12-13,15-17H2/t20-,24?,25?,26?,28?,29?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.564 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from human recombinant KOR expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254132
(CHEMBL4083940)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C30H34N2O2/c33-23-9-8-21-14-26-29-11-10-25-27(22(16-29)18-32(25)28(34)20-4-2-1-3-5-20)30(29,24(21)15-23)12-13-31(26)17-19-6-7-19/h1-5,8-9,15,19,22,25-27,33H,6-7,10-14,16-18H2/t22-,25?,26?,27?,29?,30?/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.578 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human recombinant MOR expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50254130
(CHEMBL4061334)Show SMILES [H][C@]12CN(Cc3ccccc3)C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23 |r,TLB:24:25:11.13.12:15.1,23:24:14:28.27.26,13:14:28.27.26:17.18.24,15:14:28.27.26:17.18.24,2:1:25:11.13.12,3:11:25:15.1,29:28:14:17.18.24,THB:19:18:14:28.27.26,26:25:11.13.12:15.1| Show InChI InChI=1S/C30H36N2O/c33-24-9-8-22-14-27-29-11-10-26-28(23(16-29)19-32(26)18-20-4-2-1-3-5-20)30(29,25(22)15-24)12-13-31(27)17-21-6-7-21/h1-5,8-9,15,21,23,26-28,33H,6-7,10-14,16-19H2/t23-,26?,27?,28?,29?,30?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.585 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254123
(CHEMBL4068691)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccccn1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C29H33N3O2/c33-21-7-6-19-13-25-28-9-8-24-26(20(15-28)17-32(24)27(34)23-3-1-2-11-30-23)29(28,22(19)14-21)10-12-31(25)16-18-4-5-18/h1-3,6-7,11,14,18,20,24-26,33H,4-5,8-10,12-13,15-17H2/t20-,24?,25?,26?,28?,29?/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.726 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human recombinant MOR expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254122
(CHEMBL4098662)Show SMILES [H][C@]12CN(CC3CCCCC3)C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23 |r,TLB:24:25:11.13.12:15.1,23:24:14:28.27.26,13:14:28.27.26:17.18.24,15:14:28.27.26:17.18.24,2:1:25:11.13.12,3:11:25:15.1,29:28:14:17.18.24,THB:19:18:14:28.27.26,26:25:11.13.12:15.1| Show InChI InChI=1S/C30H42N2O/c33-24-9-8-22-14-27-29-11-10-26-28(23(16-29)19-32(26)18-20-4-2-1-3-5-20)30(29,25(22)15-24)12-13-31(27)17-21-6-7-21/h8-9,15,20-21,23,26-28,33H,1-7,10-14,16-19H2/t23-,26?,27?,28?,29?,30?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.781 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from human recombinant KOR expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254131
(CHEMBL4094845)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)c1cnccn1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C27H32N4O/c32-20-4-3-18-11-23-26-6-5-22-25(19(13-26)16-31(22)24-14-28-8-9-29-24)27(26,21(18)12-20)7-10-30(23)15-17-1-2-17/h3-4,8-9,12,14,17,19,22-23,25,32H,1-2,5-7,10-11,13,15-16H2/t19-,22?,23?,25?,26?,27?/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.813 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human recombinant MOR expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254120
(CHEMBL4076681)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)Oc1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C30H34N2O3/c33-22-9-8-20-14-26-29-11-10-25-27(30(29,24(20)15-22)12-13-31(26)17-19-6-7-19)21(16-29)18-32(25)28(34)35-23-4-2-1-3-5-23/h1-5,8-9,15,19,21,25-27,33H,6-7,10-14,16-18H2/t21-,25?,26?,27?,29?,30?/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.826 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human recombinant MOR expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50254120
(CHEMBL4076681)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)Oc1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C30H34N2O3/c33-22-9-8-20-14-26-29-11-10-25-27(30(29,24(20)15-22)12-13-31(26)17-19-6-7-19)21(16-29)18-32(25)28(34)35-23-4-2-1-3-5-23/h1-5,8-9,15,19,21,25-27,33H,6-7,10-14,16-18H2/t21-,25?,26?,27?,29?,30?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.833 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254121
(CHEMBL4067629)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)c1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C29H34N2O/c32-23-9-8-20-14-26-28-11-10-25-27(21(16-28)18-31(25)22-4-2-1-3-5-22)29(28,24(20)15-23)12-13-30(26)17-19-6-7-19/h1-5,8-9,15,19,21,25-27,32H,6-7,10-14,16-18H2/t21-,25?,26?,27?,28?,29?/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.953 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human recombinant MOR expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50254121
(CHEMBL4067629)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)c1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C29H34N2O/c32-23-9-8-20-14-26-28-11-10-25-27(21(16-28)18-31(25)22-4-2-1-3-5-22)29(28,24(20)15-23)12-13-30(26)17-19-6-7-19/h1-5,8-9,15,19,21,25-27,32H,6-7,10-14,16-18H2/t21-,25?,26?,27?,28?,29?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50254122
(CHEMBL4098662)Show SMILES [H][C@]12CN(CC3CCCCC3)C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23 |r,TLB:24:25:11.13.12:15.1,23:24:14:28.27.26,13:14:28.27.26:17.18.24,15:14:28.27.26:17.18.24,2:1:25:11.13.12,3:11:25:15.1,29:28:14:17.18.24,THB:19:18:14:28.27.26,26:25:11.13.12:15.1| Show InChI InChI=1S/C30H42N2O/c33-24-9-8-22-14-27-29-11-10-26-28(23(16-29)19-32(26)18-20-4-2-1-3-5-20)30(29,25(22)15-24)12-13-31(27)17-21-6-7-21/h8-9,15,20-21,23,26-28,33H,1-7,10-14,16-19H2/t23-,26?,27?,28?,29?,30?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254121
(CHEMBL4067629)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)c1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C29H34N2O/c32-23-9-8-20-14-26-28-11-10-25-27(21(16-28)18-31(25)22-4-2-1-3-5-22)29(28,24(20)15-23)12-13-30(26)17-19-6-7-19/h1-5,8-9,15,19,21,25-27,32H,6-7,10-14,16-18H2/t21-,25?,26?,27?,28?,29?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from human recombinant KOR expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254122
(CHEMBL4098662)Show SMILES [H][C@]12CN(CC3CCCCC3)C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23 |r,TLB:24:25:11.13.12:15.1,23:24:14:28.27.26,13:14:28.27.26:17.18.24,15:14:28.27.26:17.18.24,2:1:25:11.13.12,3:11:25:15.1,29:28:14:17.18.24,THB:19:18:14:28.27.26,26:25:11.13.12:15.1| Show InChI InChI=1S/C30H42N2O/c33-24-9-8-22-14-27-29-11-10-26-28(23(16-29)19-32(26)18-20-4-2-1-3-5-20)30(29,25(22)15-24)12-13-31(27)17-21-6-7-21/h8-9,15,20-21,23,26-28,33H,1-7,10-14,16-19H2/t23-,26?,27?,28?,29?,30?/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human recombinant MOR expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254130
(CHEMBL4061334)Show SMILES [H][C@]12CN(Cc3ccccc3)C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23 |r,TLB:24:25:11.13.12:15.1,23:24:14:28.27.26,13:14:28.27.26:17.18.24,15:14:28.27.26:17.18.24,2:1:25:11.13.12,3:11:25:15.1,29:28:14:17.18.24,THB:19:18:14:28.27.26,26:25:11.13.12:15.1| Show InChI InChI=1S/C30H36N2O/c33-24-9-8-22-14-27-29-11-10-26-28(23(16-29)19-32(26)18-20-4-2-1-3-5-20)30(29,25(22)15-24)12-13-31(27)17-21-6-7-21/h1-5,8-9,15,21,23,26-28,33H,6-7,10-14,16-19H2/t23-,26?,27?,28?,29?,30?/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human recombinant MOR expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254130
(CHEMBL4061334)Show SMILES [H][C@]12CN(Cc3ccccc3)C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23 |r,TLB:24:25:11.13.12:15.1,23:24:14:28.27.26,13:14:28.27.26:17.18.24,15:14:28.27.26:17.18.24,2:1:25:11.13.12,3:11:25:15.1,29:28:14:17.18.24,THB:19:18:14:28.27.26,26:25:11.13.12:15.1| Show InChI InChI=1S/C30H36N2O/c33-24-9-8-22-14-27-29-11-10-26-28(23(16-29)19-32(26)18-20-4-2-1-3-5-20)30(29,25(22)15-24)12-13-31(27)17-21-6-7-21/h1-5,8-9,15,21,23,26-28,33H,6-7,10-14,16-19H2/t23-,26?,27?,28?,29?,30?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from human recombinant KOR expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254121
(CHEMBL4067629)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)c1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C29H34N2O/c32-23-9-8-20-14-26-28-11-10-25-27(21(16-28)18-31(25)22-4-2-1-3-5-22)29(28,24(20)15-23)12-13-30(26)17-19-6-7-19/h1-5,8-9,15,19,21,25-27,32H,6-7,10-14,16-18H2/t21-,25?,26?,27?,28?,29?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 8.10 | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant KOR expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50254131
(CHEMBL4094845)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)c1cnccn1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C27H32N4O/c32-20-4-3-18-11-23-26-6-5-22-25(19(13-26)16-31(22)24-14-28-8-9-29-24)27(26,21(18)12-20)7-10-30(23)15-17-1-2-17/h3-4,8-9,12,14,17,19,22-23,25,32H,1-2,5-7,10-11,13,15-16H2/t19-,22?,23?,25?,26?,27?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.430 | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254120
(CHEMBL4076681)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)Oc1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C30H34N2O3/c33-22-9-8-20-14-26-29-11-10-25-27(30(29,24(20)15-22)12-13-31(26)17-19-6-7-19)21(16-29)18-32(25)28(34)35-23-4-2-1-3-5-23/h1-5,8-9,15,19,21,25-27,33H,6-7,10-14,16-18H2/t21-,25?,26?,27?,29?,30?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant KOR expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254124
(CHEMBL4103044)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccoc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C28H32N2O3/c31-21-4-3-18-11-24-27-7-5-23-25(20(13-27)15-30(23)26(32)19-6-10-33-16-19)28(27,22(18)12-21)8-9-29(24)14-17-1-2-17/h3-4,6,10,12,16-17,20,23-25,31H,1-2,5,7-9,11,13-15H2/t20-,23?,24?,25?,27?,28?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant KOR expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254122
(CHEMBL4098662)Show SMILES [H][C@]12CN(CC3CCCCC3)C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23 |r,TLB:24:25:11.13.12:15.1,23:24:14:28.27.26,13:14:28.27.26:17.18.24,15:14:28.27.26:17.18.24,2:1:25:11.13.12,3:11:25:15.1,29:28:14:17.18.24,THB:19:18:14:28.27.26,26:25:11.13.12:15.1| Show InChI InChI=1S/C30H42N2O/c33-24-9-8-22-14-27-29-11-10-26-28(23(16-29)19-32(26)18-20-4-2-1-3-5-20)30(29,25(22)15-24)12-13-31(27)17-21-6-7-21/h8-9,15,20-21,23,26-28,33H,1-7,10-14,16-19H2/t23-,26?,27?,28?,29?,30?/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 21 | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant MOR expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50254122
(CHEMBL4098662)Show SMILES [H][C@]12CN(CC3CCCCC3)C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23 |r,TLB:24:25:11.13.12:15.1,23:24:14:28.27.26,13:14:28.27.26:17.18.24,15:14:28.27.26:17.18.24,2:1:25:11.13.12,3:11:25:15.1,29:28:14:17.18.24,THB:19:18:14:28.27.26,26:25:11.13.12:15.1| Show InChI InChI=1S/C30H42N2O/c33-24-9-8-22-14-27-29-11-10-26-28(23(16-29)19-32(26)18-20-4-2-1-3-5-20)30(29,25(22)15-24)12-13-31(27)17-21-6-7-21/h8-9,15,20-21,23,26-28,33H,1-7,10-14,16-19H2/t23-,26?,27?,28?,29?,30?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50254121
(CHEMBL4067629)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)c1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C29H34N2O/c32-23-9-8-20-14-26-28-11-10-25-27(21(16-28)18-31(25)22-4-2-1-3-5-22)29(28,24(20)15-23)12-13-30(26)17-19-6-7-19/h1-5,8-9,15,19,21,25-27,32H,6-7,10-14,16-18H2/t21-,25?,26?,27?,28?,29?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.70 | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50254124
(CHEMBL4103044)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccoc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C28H32N2O3/c31-21-4-3-18-11-24-27-7-5-23-25(20(13-27)15-30(23)26(32)19-6-10-33-16-19)28(27,22(18)12-21)8-9-29(24)14-17-1-2-17/h3-4,6,10,12,16-17,20,23-25,31H,1-2,5,7-9,11,13-15H2/t20-,23?,24?,25?,27?,28?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.230 | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant DOR expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50254132
(CHEMBL4083940)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C30H34N2O2/c33-23-9-8-21-14-26-29-11-10-25-27(22(16-29)18-32(25)28(34)20-4-2-1-3-5-20)30(29,24(21)15-23)12-13-31(26)17-19-6-7-19/h1-5,8-9,15,19,22,25-27,33H,6-7,10-14,16-18H2/t22-,25?,26?,27?,29?,30?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.310 | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50254133
(CHEMBL4076632)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)Nc1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C30H35N3O2/c34-23-9-8-20-14-26-29-11-10-25-27(30(29,24(20)15-23)12-13-32(26)17-19-6-7-19)21(16-29)18-33(25)28(35)31-22-4-2-1-3-5-22/h1-5,8-9,15,19,21,25-27,34H,6-7,10-14,16-18H2,(H,31,35)/t21-,25?,26?,27?,29?,30?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254124
(CHEMBL4103044)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccoc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C28H32N2O3/c31-21-4-3-18-11-24-27-7-5-23-25(20(13-27)15-30(23)26(32)19-6-10-33-16-19)28(27,22(18)12-21)8-9-29(24)14-17-1-2-17/h3-4,6,10,12,16-17,20,23-25,31H,1-2,5,7-9,11,13-15H2/t20-,23?,24?,25?,27?,28?/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 155 | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant MOR expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50254130
(CHEMBL4061334)Show SMILES [H][C@]12CN(Cc3ccccc3)C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23 |r,TLB:24:25:11.13.12:15.1,23:24:14:28.27.26,13:14:28.27.26:17.18.24,15:14:28.27.26:17.18.24,2:1:25:11.13.12,3:11:25:15.1,29:28:14:17.18.24,THB:19:18:14:28.27.26,26:25:11.13.12:15.1| Show InChI InChI=1S/C30H36N2O/c33-24-9-8-22-14-27-29-11-10-26-28(23(16-29)19-32(26)18-20-4-2-1-3-5-20)30(29,25(22)15-24)12-13-31(27)17-21-6-7-21/h1-5,8-9,15,21,23,26-28,33H,6-7,10-14,16-19H2/t23-,26?,27?,28?,29?,30?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.420 | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranes |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254121
(CHEMBL4067629)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)c1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C29H34N2O/c32-23-9-8-20-14-26-28-11-10-25-27(21(16-28)18-31(25)22-4-2-1-3-5-22)29(28,24(20)15-23)12-13-30(26)17-19-6-7-19/h1-5,8-9,15,19,21,25-27,32H,6-7,10-14,16-18H2/t21-,25?,26?,27?,28?,29?/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant MOR expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254133
(CHEMBL4076632)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)Nc1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C30H35N3O2/c34-23-9-8-20-14-26-29-11-10-25-27(30(29,24(20)15-23)12-13-32(26)17-19-6-7-19)21(16-29)18-33(25)28(35)31-22-4-2-1-3-5-22/h1-5,8-9,15,19,21,25-27,34H,6-7,10-14,16-18H2,(H,31,35)/t21-,25?,26?,27?,29?,30?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant KOR expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50254123
(CHEMBL4068691)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccccn1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C29H33N3O2/c33-21-7-6-19-13-25-28-9-8-24-26(20(15-28)17-32(24)27(34)23-3-1-2-11-30-23)29(28,22(19)14-21)10-12-31(25)16-18-4-5-18/h1-3,6-7,11,14,18,20,24-26,33H,4-5,8-10,12-13,15-17H2/t20-,24?,25?,26?,28?,29?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.350 | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant DOR expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254131
(CHEMBL4094845)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)c1cnccn1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C27H32N4O/c32-20-4-3-18-11-23-26-6-5-22-25(19(13-26)16-31(22)24-14-28-8-9-29-24)27(26,21(18)12-20)7-10-30(23)15-17-1-2-17/h3-4,8-9,12,14,17,19,22-23,25,32H,1-2,5-7,10-11,13,15-16H2/t19-,22?,23?,25?,26?,27?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant KOR expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254130
(CHEMBL4061334)Show SMILES [H][C@]12CN(Cc3ccccc3)C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23 |r,TLB:24:25:11.13.12:15.1,23:24:14:28.27.26,13:14:28.27.26:17.18.24,15:14:28.27.26:17.18.24,2:1:25:11.13.12,3:11:25:15.1,29:28:14:17.18.24,THB:19:18:14:28.27.26,26:25:11.13.12:15.1| Show InChI InChI=1S/C30H36N2O/c33-24-9-8-22-14-27-29-11-10-26-28(23(16-29)19-32(26)18-20-4-2-1-3-5-20)30(29,25(22)15-24)12-13-31(27)17-21-6-7-21/h1-5,8-9,15,21,23,26-28,33H,6-7,10-14,16-19H2/t23-,26?,27?,28?,29?,30?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.5 | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant KOR expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254122
(CHEMBL4098662)Show SMILES [H][C@]12CN(CC3CCCCC3)C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23 |r,TLB:24:25:11.13.12:15.1,23:24:14:28.27.26,13:14:28.27.26:17.18.24,15:14:28.27.26:17.18.24,2:1:25:11.13.12,3:11:25:15.1,29:28:14:17.18.24,THB:19:18:14:28.27.26,26:25:11.13.12:15.1| Show InChI InChI=1S/C30H42N2O/c33-24-9-8-22-14-27-29-11-10-26-28(23(16-29)19-32(26)18-20-4-2-1-3-5-20)30(29,25(22)15-24)12-13-31(27)17-21-6-7-21/h8-9,15,20-21,23,26-28,33H,1-7,10-14,16-19H2/t23-,26?,27?,28?,29?,30?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.70 | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant KOR expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50254120
(CHEMBL4076681)Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)Oc1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C30H34N2O3/c33-22-9-8-20-14-26-29-11-10-25-27(30(29,24(20)15-22)12-13-31(26)17-19-6-7-19)21(16-29)18-32(25)28(34)35-23-4-2-1-3-5-23/h1-5,8-9,15,19,21,25-27,33H,6-7,10-14,16-18H2/t21-,25?,26?,27?,29?,30?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant DOR expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem Lett 27: 3495-3498 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.072
BindingDB Entry DOI: 10.7270/Q25H7JPK |
More data for this
Ligand-Target Pair | |
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