Found 11 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/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50225845
(CHEMBL293967)Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\C(=O)OCCc1ccccc1 |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5| Show InChI InChI=1S/C32H36N2O6/c35-24-9-8-22-18-25-32(38)14-12-23(33-26(36)10-11-27(37)39-17-13-20-4-2-1-3-5-20)30-31(32,28(22)29(24)40-30)15-16-34(25)19-21-6-7-21/h1-5,8-11,21,23,25,30,35,38H,6-7,12-19H2,(H,33,36)/b11-10+/t23-,25?,30?,31?,32-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 0.0150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for binding affinity against opioid receptor in rat brain membranes, using [3H]dihydromorphine as the radioligand |
J Med Chem 29: 1868-71 (1986)
BindingDB Entry DOI: 10.7270/Q2D50Q50 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50225848
(CHEMBL53563)Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\C(=O)OCc1ccccc1 |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5| Show InChI InChI=1S/C31H34N2O6/c34-23-9-8-21-16-24-31(37)13-12-22(32-25(35)10-11-26(36)38-18-20-4-2-1-3-5-20)29-30(31,27(21)28(23)39-29)14-15-33(24)17-19-6-7-19/h1-5,8-11,19,22,24,29,34,37H,6-7,12-18H2,(H,32,35)/b11-10+/t22-,24?,29?,30?,31-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for binding affinity against opioid receptor in rat brain membranes, using [3H]dihydromorphine as the radioligand |
J Med Chem 29: 1868-71 (1986)
BindingDB Entry DOI: 10.7270/Q2D50Q50 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50225849
(CHEMBL301654)Show SMILES CCOC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45 |TLB:22:33:13:28.26.27,14:13:33.17.16:28.26.27,29:28:13:33.17.16| Show InChI InChI=1S/C26H32N2O6/c1-2-33-21(31)8-7-20(30)27-17-9-10-26(32)19-13-16-5-6-18(29)23-22(16)25(26,24(17)34-23)11-12-28(19)14-15-3-4-15/h5-8,15,17,19,24,29,32H,2-4,9-14H2,1H3,(H,27,30)/b8-7+/t17-,19?,24?,25?,26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.640 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for binding affinity against opioid receptor in rat brain membranes, using [3H]dihydromorphine as the radioligand |
J Med Chem 29: 1868-71 (1986)
BindingDB Entry DOI: 10.7270/Q2D50Q50 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50247803
(Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...)Show SMILES COC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18-,23+,24+,25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for binding affinity against opioid receptor in rat brain membranes, using [3H]dihydromorphine as the radioligand |
J Med Chem 29: 1868-71 (1986)
BindingDB Entry DOI: 10.7270/Q2D50Q50 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50225847
(CHEMBL54820)Show SMILES CCCOC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45 |TLB:23:34:14:29.27.28,15:14:34.18.17:29.27.28,30:29:14:34.18.17| Show InChI InChI=1S/C27H34N2O6/c1-2-13-34-22(32)8-7-21(31)28-18-9-10-27(33)20-14-17-5-6-19(30)24-23(17)26(27,25(18)35-24)11-12-29(20)15-16-3-4-16/h5-8,16,18,20,25,30,33H,2-4,9-15H2,1H3,(H,28,31)/b8-7+/t18-,20?,25?,26?,27-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for binding affinity against opioid receptor in rat brain membranes, using [3H]dihydromorphine as the radioligand |
J Med Chem 29: 1868-71 (1986)
BindingDB Entry DOI: 10.7270/Q2D50Q50 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50225846
(CHEMBL293145)Show SMILES CCCCOC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45 |TLB:24:35:15:30.28.29,16:15:35.19.18:30.28.29,31:30:15:35.19.18| Show InChI InChI=1S/C28H36N2O6/c1-2-3-14-35-23(33)9-8-22(32)29-19-10-11-28(34)21-15-18-6-7-20(31)25-24(18)27(28,26(19)36-25)12-13-30(21)16-17-4-5-17/h6-9,17,19,21,26,31,34H,2-5,10-16H2,1H3,(H,29,32)/b9-8+/t19-,21?,26?,27?,28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for binding affinity against opioid receptor in rat brain membranes, using [3H]dihydromorphine as the radioligand |
J Med Chem 29: 1868-71 (1986)
BindingDB Entry DOI: 10.7270/Q2D50Q50 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Mus musculus (Mouse)-MOUSE) | BDBM50225846
(CHEMBL293145)Show SMILES CCCCOC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45 |TLB:24:35:15:30.28.29,16:15:35.19.18:30.28.29,31:30:15:35.19.18| Show InChI InChI=1S/C28H36N2O6/c1-2-3-14-35-23(33)9-8-22(32)29-19-10-11-28(34)21-15-18-6-7-20(31)25-24(18)27(28,26(19)36-25)12-13-30(21)16-17-4-5-17/h6-9,17,19,21,26,31,34H,2-5,10-16H2,1H3,(H,29,32)/b9-8+/t19-,21?,26?,27?,28-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for agonist activity against opioid receptor in mouse vas deferens preparation |
J Med Chem 29: 1868-71 (1986)
BindingDB Entry DOI: 10.7270/Q2D50Q50 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Mus musculus (Mouse)-MOUSE) | BDBM50225849
(CHEMBL301654)Show SMILES CCOC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45 |TLB:22:33:13:28.26.27,14:13:33.17.16:28.26.27,29:28:13:33.17.16| Show InChI InChI=1S/C26H32N2O6/c1-2-33-21(31)8-7-20(30)27-17-9-10-26(32)19-13-16-5-6-18(29)23-22(16)25(26,24(17)34-23)11-12-28(19)14-15-3-4-15/h5-8,15,17,19,24,29,32H,2-4,9-14H2,1H3,(H,27,30)/b8-7+/t17-,19?,24?,25?,26-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for agonist activity against opioid receptor in mouse vas deferens preparation |
J Med Chem 29: 1868-71 (1986)
BindingDB Entry DOI: 10.7270/Q2D50Q50 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Mus musculus (Mouse)-MOUSE) | BDBM50225847
(CHEMBL54820)Show SMILES CCCOC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45 |TLB:23:34:14:29.27.28,15:14:34.18.17:29.27.28,30:29:14:34.18.17| Show InChI InChI=1S/C27H34N2O6/c1-2-13-34-22(32)8-7-21(31)28-18-9-10-27(33)20-14-17-5-6-19(30)24-23(17)26(27,25(18)35-24)11-12-29(20)15-16-3-4-16/h5-8,16,18,20,25,30,33H,2-4,9-15H2,1H3,(H,28,31)/b8-7+/t18-,20?,25?,26?,27-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for agonist activity against opioid receptor in mouse vas deferens preparation |
J Med Chem 29: 1868-71 (1986)
BindingDB Entry DOI: 10.7270/Q2D50Q50 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Mus musculus (Mouse)-MOUSE) | BDBM50225845
(CHEMBL293967)Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\C(=O)OCCc1ccccc1 |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5| Show InChI InChI=1S/C32H36N2O6/c35-24-9-8-22-18-25-32(38)14-12-23(33-26(36)10-11-27(37)39-17-13-20-4-2-1-3-5-20)30-31(32,28(22)29(24)40-30)15-16-34(25)19-21-6-7-21/h1-5,8-11,21,23,25,30,35,38H,6-7,12-19H2,(H,33,36)/b11-10+/t23-,25?,30?,31?,32-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for agonist activity against opioid receptor in mouse vas deferens preparation |
J Med Chem 29: 1868-71 (1986)
BindingDB Entry DOI: 10.7270/Q2D50Q50 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Mus musculus (Mouse)-MOUSE) | BDBM50247803
(Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...)Show SMILES COC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18-,23+,24+,25-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for agonist activity against opioid receptor in mouse vas deferens preparation |
J Med Chem 29: 1868-71 (1986)
BindingDB Entry DOI: 10.7270/Q2D50Q50 |
More data for this
Ligand-Target Pair | |
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