Found 12 hits for monomerid = 50015005 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/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)) | BDBM50015005
(CHEMBL3262093 | US9259422, 13b, R = Ph-BU125 | US9...)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@H](O)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.26,wD:29.35,7.7,17.39,c:38,THB:10:9:17:4.5.6,(9.21,-13.98,;9.22,-12.26,;7.63,-13.17,;6.17,-12.26,;6.92,-10.94,;6.17,-9.62,;6.92,-8.28,;8.42,-8.28,;9.75,-7.5,;8.46,-6.73,;9.24,-5.36,;10.78,-5.35,;12.11,-6.11,;12.1,-4.57,;7.67,-7.71,;7.67,-9.6,;8.46,-10.94,;9.24,-9.62,;10.78,-9.62,;11.56,-10.94,;12.33,-9.61,;13.1,-10.95,;13.86,-12.29,;13.88,-9.61,;15.44,-9.63,;16.22,-8.29,;15.45,-6.93,;13.88,-6.93,;13.11,-8.27,;10.76,-12.28,;11.53,-13.63,;10.74,-14.97,;9.47,-11.48,;10.58,-10.39,;4.63,-9.62,;3.84,-10.94,;4.63,-12.26,;3.83,-13.62,)| Show InChI InChI=1S/C30H33NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-12,18,21,23,25,27,32-33H,7-8,13-17H2,1H3/t21-,23-,25-,27-,28-,29+,30-/m1/s1 | PDB
Reactome pathway
KEGG
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DPDPE from human delta opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analys... |
J Med Chem 57: 4049-57 (2014)
Article DOI: 10.1021/jm401964y
BindingDB Entry DOI: 10.7270/Q2NG4S62 |
More data for this
Ligand-Target Pair | |
Opioid receptors; mu & delta
(Rattus norvegicus (rat)) | BDBM50015005
(CHEMBL3262093 | US9259422, 13b, R = Ph-BU125 | US9...)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@H](O)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.26,wD:29.35,7.7,17.39,c:38,THB:10:9:17:4.5.6,(9.21,-13.98,;9.22,-12.26,;7.63,-13.17,;6.17,-12.26,;6.92,-10.94,;6.17,-9.62,;6.92,-8.28,;8.42,-8.28,;9.75,-7.5,;8.46,-6.73,;9.24,-5.36,;10.78,-5.35,;12.11,-6.11,;12.1,-4.57,;7.67,-7.71,;7.67,-9.6,;8.46,-10.94,;9.24,-9.62,;10.78,-9.62,;11.56,-10.94,;12.33,-9.61,;13.1,-10.95,;13.86,-12.29,;13.88,-9.61,;15.44,-9.63,;16.22,-8.29,;15.45,-6.93,;13.88,-6.93,;13.11,-8.27,;10.76,-12.28,;11.53,-13.63,;10.74,-14.97,;9.47,-11.48,;10.58,-10.39,;4.63,-9.62,;3.84,-10.94,;4.63,-12.26,;3.83,-13.62,)| Show InChI InChI=1S/C30H33NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-12,18,21,23,25,27,32-33H,7-8,13-17H2,1H3/t21-,23-,25-,27-,28-,29+,30-/m1/s1 | PDB
Reactome pathway
KEGG
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| US Patent
| 3.21 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
The University of Bath
US Patent
| Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen... |
US Patent US9480684 (2016)
BindingDB Entry DOI: 10.7270/Q29885ZT |
More data for this
Ligand-Target Pair | |
Opioid receptors; mu & delta
(Rattus norvegicus (rat)) | BDBM50015005
(CHEMBL3262093 | US9259422, 13b, R = Ph-BU125 | US9...)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@H](O)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.26,wD:29.35,7.7,17.39,c:38,THB:10:9:17:4.5.6,(9.21,-13.98,;9.22,-12.26,;7.63,-13.17,;6.17,-12.26,;6.92,-10.94,;6.17,-9.62,;6.92,-8.28,;8.42,-8.28,;9.75,-7.5,;8.46,-6.73,;9.24,-5.36,;10.78,-5.35,;12.11,-6.11,;12.1,-4.57,;7.67,-7.71,;7.67,-9.6,;8.46,-10.94,;9.24,-9.62,;10.78,-9.62,;11.56,-10.94,;12.33,-9.61,;13.1,-10.95,;13.86,-12.29,;13.88,-9.61,;15.44,-9.63,;16.22,-8.29,;15.45,-6.93,;13.88,-6.93,;13.11,-8.27,;10.76,-12.28,;11.53,-13.63,;10.74,-14.97,;9.47,-11.48,;10.58,-10.39,;4.63,-9.62,;3.84,-10.94,;4.63,-12.26,;3.83,-13.62,)| Show InChI InChI=1S/C30H33NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-12,18,21,23,25,27,32-33H,7-8,13-17H2,1H3/t21-,23-,25-,27-,28-,29+,30-/m1/s1 | PDB
Reactome pathway
KEGG
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| US Patent
| 3.21 | -11.6 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
The University of Bath
US Patent
| Assay Description
As Alt et al., 2002. Membranes (20 ug) are incubated in 50 mM Tris-HCl,
pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or
presence ... |
US Patent US9259422 (2016)
BindingDB Entry DOI: 10.7270/Q2DJ5DG0 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50015005
(CHEMBL3262093 | US9259422, 13b, R = Ph-BU125 | US9...)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@H](O)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.26,wD:29.35,7.7,17.39,c:38,THB:10:9:17:4.5.6,(9.21,-13.98,;9.22,-12.26,;7.63,-13.17,;6.17,-12.26,;6.92,-10.94,;6.17,-9.62,;6.92,-8.28,;8.42,-8.28,;9.75,-7.5,;8.46,-6.73,;9.24,-5.36,;10.78,-5.35,;12.11,-6.11,;12.1,-4.57,;7.67,-7.71,;7.67,-9.6,;8.46,-10.94,;9.24,-9.62,;10.78,-9.62,;11.56,-10.94,;12.33,-9.61,;13.1,-10.95,;13.86,-12.29,;13.88,-9.61,;15.44,-9.63,;16.22,-8.29,;15.45,-6.93,;13.88,-6.93,;13.11,-8.27,;10.76,-12.28,;11.53,-13.63,;10.74,-14.97,;9.47,-11.48,;10.58,-10.39,;4.63,-9.62,;3.84,-10.94,;4.63,-12.26,;3.83,-13.62,)| Show InChI InChI=1S/C30H33NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-12,18,21,23,25,27,32-33H,7-8,13-17H2,1H3/t21-,23-,25-,27-,28-,29+,30-/m1/s1 | PDB
Reactome pathway
KEGG
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting anal... |
J Med Chem 57: 4049-57 (2014)
Article DOI: 10.1021/jm401964y
BindingDB Entry DOI: 10.7270/Q2NG4S62 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50015005
(CHEMBL3262093 | US9259422, 13b, R = Ph-BU125 | US9...)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@H](O)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.26,wD:29.35,7.7,17.39,c:38,THB:10:9:17:4.5.6,(9.21,-13.98,;9.22,-12.26,;7.63,-13.17,;6.17,-12.26,;6.92,-10.94,;6.17,-9.62,;6.92,-8.28,;8.42,-8.28,;9.75,-7.5,;8.46,-6.73,;9.24,-5.36,;10.78,-5.35,;12.11,-6.11,;12.1,-4.57,;7.67,-7.71,;7.67,-9.6,;8.46,-10.94,;9.24,-9.62,;10.78,-9.62,;11.56,-10.94,;12.33,-9.61,;13.1,-10.95,;13.86,-12.29,;13.88,-9.61,;15.44,-9.63,;16.22,-8.29,;15.45,-6.93,;13.88,-6.93,;13.11,-8.27,;10.76,-12.28,;11.53,-13.63,;10.74,-14.97,;9.47,-11.48,;10.58,-10.39,;4.63,-9.62,;3.84,-10.94,;4.63,-12.26,;3.83,-13.62,)| Show InChI InChI=1S/C30H33NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-12,18,21,23,25,27,32-33H,7-8,13-17H2,1H3/t21-,23-,25-,27-,28-,29+,30-/m1/s1 | PDB
Reactome pathway
KEGG
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| US Patent
| 3.84 | -11.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
The University of Bath
US Patent
| Assay Description
As Alt et al., 2002. Membranes (20 ug) are incubated in 50 mM Tris-HCl,
pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or
presence ... |
US Patent US9259422 (2016)
BindingDB Entry DOI: 10.7270/Q2DJ5DG0 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50015005
(CHEMBL3262093 | US9259422, 13b, R = Ph-BU125 | US9...)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@H](O)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.26,wD:29.35,7.7,17.39,c:38,THB:10:9:17:4.5.6,(9.21,-13.98,;9.22,-12.26,;7.63,-13.17,;6.17,-12.26,;6.92,-10.94,;6.17,-9.62,;6.92,-8.28,;8.42,-8.28,;9.75,-7.5,;8.46,-6.73,;9.24,-5.36,;10.78,-5.35,;12.11,-6.11,;12.1,-4.57,;7.67,-7.71,;7.67,-9.6,;8.46,-10.94,;9.24,-9.62,;10.78,-9.62,;11.56,-10.94,;12.33,-9.61,;13.1,-10.95,;13.86,-12.29,;13.88,-9.61,;15.44,-9.63,;16.22,-8.29,;15.45,-6.93,;13.88,-6.93,;13.11,-8.27,;10.76,-12.28,;11.53,-13.63,;10.74,-14.97,;9.47,-11.48,;10.58,-10.39,;4.63,-9.62,;3.84,-10.94,;4.63,-12.26,;3.83,-13.62,)| Show InChI InChI=1S/C30H33NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-12,18,21,23,25,27,32-33H,7-8,13-17H2,1H3/t21-,23-,25-,27-,28-,29+,30-/m1/s1 | PDB
Reactome pathway
KEGG
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| US Patent
| 3.84 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
The University of Bath
US Patent
| Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen... |
US Patent US9480684 (2016)
BindingDB Entry DOI: 10.7270/Q29885ZT |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50015005
(CHEMBL3262093 | US9259422, 13b, R = Ph-BU125 | US9...)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@H](O)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.26,wD:29.35,7.7,17.39,c:38,THB:10:9:17:4.5.6,(9.21,-13.98,;9.22,-12.26,;7.63,-13.17,;6.17,-12.26,;6.92,-10.94,;6.17,-9.62,;6.92,-8.28,;8.42,-8.28,;9.75,-7.5,;8.46,-6.73,;9.24,-5.36,;10.78,-5.35,;12.11,-6.11,;12.1,-4.57,;7.67,-7.71,;7.67,-9.6,;8.46,-10.94,;9.24,-9.62,;10.78,-9.62,;11.56,-10.94,;12.33,-9.61,;13.1,-10.95,;13.86,-12.29,;13.88,-9.61,;15.44,-9.63,;16.22,-8.29,;15.45,-6.93,;13.88,-6.93,;13.11,-8.27,;10.76,-12.28,;11.53,-13.63,;10.74,-14.97,;9.47,-11.48,;10.58,-10.39,;4.63,-9.62,;3.84,-10.94,;4.63,-12.26,;3.83,-13.62,)| Show InChI InChI=1S/C30H33NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-12,18,21,23,25,27,32-33H,7-8,13-17H2,1H3/t21-,23-,25-,27-,28-,29+,30-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analysis |
J Med Chem 57: 4049-57 (2014)
Article DOI: 10.1021/jm401964y
BindingDB Entry DOI: 10.7270/Q2NG4S62 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50015005
(CHEMBL3262093 | US9259422, 13b, R = Ph-BU125 | US9...)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@H](O)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.26,wD:29.35,7.7,17.39,c:38,THB:10:9:17:4.5.6,(9.21,-13.98,;9.22,-12.26,;7.63,-13.17,;6.17,-12.26,;6.92,-10.94,;6.17,-9.62,;6.92,-8.28,;8.42,-8.28,;9.75,-7.5,;8.46,-6.73,;9.24,-5.36,;10.78,-5.35,;12.11,-6.11,;12.1,-4.57,;7.67,-7.71,;7.67,-9.6,;8.46,-10.94,;9.24,-9.62,;10.78,-9.62,;11.56,-10.94,;12.33,-9.61,;13.1,-10.95,;13.86,-12.29,;13.88,-9.61,;15.44,-9.63,;16.22,-8.29,;15.45,-6.93,;13.88,-6.93,;13.11,-8.27,;10.76,-12.28,;11.53,-13.63,;10.74,-14.97,;9.47,-11.48,;10.58,-10.39,;4.63,-9.62,;3.84,-10.94,;4.63,-12.26,;3.83,-13.62,)| Show InChI InChI=1S/C30H33NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-12,18,21,23,25,27,32-33H,7-8,13-17H2,1H3/t21-,23-,25-,27-,28-,29+,30-/m1/s1 | PDB
Reactome pathway
KEGG
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| US Patent
| 4.03 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
The University of Bath
US Patent
| Assay Description
As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen... |
US Patent US9480684 (2016)
BindingDB Entry DOI: 10.7270/Q29885ZT |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50015005
(CHEMBL3262093 | US9259422, 13b, R = Ph-BU125 | US9...)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@H](O)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.26,wD:29.35,7.7,17.39,c:38,THB:10:9:17:4.5.6,(9.21,-13.98,;9.22,-12.26,;7.63,-13.17,;6.17,-12.26,;6.92,-10.94,;6.17,-9.62,;6.92,-8.28,;8.42,-8.28,;9.75,-7.5,;8.46,-6.73,;9.24,-5.36,;10.78,-5.35,;12.11,-6.11,;12.1,-4.57,;7.67,-7.71,;7.67,-9.6,;8.46,-10.94,;9.24,-9.62,;10.78,-9.62,;11.56,-10.94,;12.33,-9.61,;13.1,-10.95,;13.86,-12.29,;13.88,-9.61,;15.44,-9.63,;16.22,-8.29,;15.45,-6.93,;13.88,-6.93,;13.11,-8.27,;10.76,-12.28,;11.53,-13.63,;10.74,-14.97,;9.47,-11.48,;10.58,-10.39,;4.63,-9.62,;3.84,-10.94,;4.63,-12.26,;3.83,-13.62,)| Show InChI InChI=1S/C30H33NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-12,18,21,23,25,27,32-33H,7-8,13-17H2,1H3/t21-,23-,25-,27-,28-,29+,30-/m1/s1 | PDB
Reactome pathway
KEGG
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| US Patent
| 4.03 | -11.4 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
The University of Bath
US Patent
| Assay Description
As Alt et al., 2002. Membranes (20 ug) are incubated in 50 mM Tris-HCl,
pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or
presence ... |
US Patent US9259422 (2016)
BindingDB Entry DOI: 10.7270/Q2DJ5DG0 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50015005
(CHEMBL3262093 | US9259422, 13b, R = Ph-BU125 | US9...)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@H](O)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.26,wD:29.35,7.7,17.39,c:38,THB:10:9:17:4.5.6,(9.21,-13.98,;9.22,-12.26,;7.63,-13.17,;6.17,-12.26,;6.92,-10.94,;6.17,-9.62,;6.92,-8.28,;8.42,-8.28,;9.75,-7.5,;8.46,-6.73,;9.24,-5.36,;10.78,-5.35,;12.11,-6.11,;12.1,-4.57,;7.67,-7.71,;7.67,-9.6,;8.46,-10.94,;9.24,-9.62,;10.78,-9.62,;11.56,-10.94,;12.33,-9.61,;13.1,-10.95,;13.86,-12.29,;13.88,-9.61,;15.44,-9.63,;16.22,-8.29,;15.45,-6.93,;13.88,-6.93,;13.11,-8.27,;10.76,-12.28,;11.53,-13.63,;10.74,-14.97,;9.47,-11.48,;10.58,-10.39,;4.63,-9.62,;3.84,-10.94,;4.63,-12.26,;3.83,-13.62,)| Show InChI InChI=1S/C30H33NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-12,18,21,23,25,27,32-33H,7-8,13-17H2,1H3/t21-,23-,25-,27-,28-,29+,30-/m1/s1 | PDB
Reactome pathway
KEGG
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Agonist activity at human delta opioid receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by beta-plat... |
J Med Chem 57: 4049-57 (2014)
Article DOI: 10.1021/jm401964y
BindingDB Entry DOI: 10.7270/Q2NG4S62 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50015005
(CHEMBL3262093 | US9259422, 13b, R = Ph-BU125 | US9...)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@H](O)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.26,wD:29.35,7.7,17.39,c:38,THB:10:9:17:4.5.6,(9.21,-13.98,;9.22,-12.26,;7.63,-13.17,;6.17,-12.26,;6.92,-10.94,;6.17,-9.62,;6.92,-8.28,;8.42,-8.28,;9.75,-7.5,;8.46,-6.73,;9.24,-5.36,;10.78,-5.35,;12.11,-6.11,;12.1,-4.57,;7.67,-7.71,;7.67,-9.6,;8.46,-10.94,;9.24,-9.62,;10.78,-9.62,;11.56,-10.94,;12.33,-9.61,;13.1,-10.95,;13.86,-12.29,;13.88,-9.61,;15.44,-9.63,;16.22,-8.29,;15.45,-6.93,;13.88,-6.93,;13.11,-8.27,;10.76,-12.28,;11.53,-13.63,;10.74,-14.97,;9.47,-11.48,;10.58,-10.39,;4.63,-9.62,;3.84,-10.94,;4.63,-12.26,;3.83,-13.62,)| Show InChI InChI=1S/C30H33NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-12,18,21,23,25,27,32-33H,7-8,13-17H2,1H3/t21-,23-,25-,27-,28-,29+,30-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Agonist activity at human mu opioid receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by beta-plate l... |
J Med Chem 57: 4049-57 (2014)
Article DOI: 10.1021/jm401964y
BindingDB Entry DOI: 10.7270/Q2NG4S62 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50015005
(CHEMBL3262093 | US9259422, 13b, R = Ph-BU125 | US9...)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@H](O)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.26,wD:29.35,7.7,17.39,c:38,THB:10:9:17:4.5.6,(9.21,-13.98,;9.22,-12.26,;7.63,-13.17,;6.17,-12.26,;6.92,-10.94,;6.17,-9.62,;6.92,-8.28,;8.42,-8.28,;9.75,-7.5,;8.46,-6.73,;9.24,-5.36,;10.78,-5.35,;12.11,-6.11,;12.1,-4.57,;7.67,-7.71,;7.67,-9.6,;8.46,-10.94,;9.24,-9.62,;10.78,-9.62,;11.56,-10.94,;12.33,-9.61,;13.1,-10.95,;13.86,-12.29,;13.88,-9.61,;15.44,-9.63,;16.22,-8.29,;15.45,-6.93,;13.88,-6.93,;13.11,-8.27,;10.76,-12.28,;11.53,-13.63,;10.74,-14.97,;9.47,-11.48,;10.58,-10.39,;4.63,-9.62,;3.84,-10.94,;4.63,-12.26,;3.83,-13.62,)| Show InChI InChI=1S/C30H33NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-12,18,21,23,25,27,32-33H,7-8,13-17H2,1H3/t21-,23-,25-,27-,28-,29+,30-/m1/s1 | PDB
Reactome pathway
KEGG
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Agonist activity at human kappa opioid receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by beta-plat... |
J Med Chem 57: 4049-57 (2014)
Article DOI: 10.1021/jm401964y
BindingDB Entry DOI: 10.7270/Q2NG4S62 |
More data for this
Ligand-Target Pair | |
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