new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50036308   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
PDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
0.00720n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding activity against delta1 opioid receptor using [3H]DPDPE ligand


J Med Chem 37: 579-85 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9QRG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50040487
PNG
(17-(cyclopropylmethyl)4,5-alpha-epoxy-3,14-dihydro...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)C1(Cc2ccccc2C1)C[C@@]35O |TLB:17:18:31:7.13.12,3:4:31:7.13.12|
Show InChI InChI=1S/C28H29NO4/c30-20-8-7-17-11-21-28(32)15-26(12-18-3-1-2-4-19(18)13-26)24(31)25-27(28,22(17)23(20)33-25)9-10-29(21)14-16-5-6-16/h1-4,7-8,16,21,25,30,32H,5-6,9-15H2/t21?,25-,27-,28+/m0/s1
PDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
0.0470n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding activity against delta opioid receptor using [3H]naltridole ligand


J Med Chem 37: 579-85 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9QRG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50040485
PNG
(15-benzyl-4-cyclopropylmethyl-10,17-dihydroxy-(1S,...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccccc1 |w:25.31,TLB:17:18:23:7.13.12,3:4:23:7.13.12|
Show InChI InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/t21?,25-,26-,27+/m0/s1
PDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
0.100n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding activity against Opioid receptor delta 1 using [3H]DPDPE ligand


J Med Chem 37: 579-85 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9QRG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50040483
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-phenyl-(1S,...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)[C@@H](Cc1ccccc1)C[C@@]35O |TLB:3:4:30:7.13.12,17:18:30:7.13.12|
Show InChI InChI=1S/C27H29NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,17,19,21,25,29,31H,6-7,10-15H2/t19-,21?,25-,26-,27+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
0.120n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding activity against Opioid receptor delta 2 using [3H]DSLET ligand


J Med Chem 37: 579-85 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9QRG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50040484
PNG
(14-anilino-4-cyclopropylmethyl-(13R,14R,17S)-12-ox...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)Nc1ccccc1 |TLB:17:18:22:7.13.12,3:4:22:7.13.12|
Show InChI InChI=1S/C26H30N2O3/c29-20-9-8-17-14-21-26(30)11-10-19(27-18-4-2-1-3-5-18)24-25(26,22(17)23(20)31-24)12-13-28(21)15-16-6-7-16/h1-5,8-9,16,19,21,24,27,29-30H,6-7,10-15H2/t19-,21?,24+,25+,26-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
0.190n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding activity against mu opioid receptor using [3H]DAMGO ligand


J Med Chem 37: 579-85 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9QRG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50040484
PNG
(14-anilino-4-cyclopropylmethyl-(13R,14R,17S)-12-ox...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)Nc1ccccc1 |TLB:17:18:22:7.13.12,3:4:22:7.13.12|
Show InChI InChI=1S/C26H30N2O3/c29-20-9-8-17-14-21-26(30)11-10-19(27-18-4-2-1-3-5-18)24-25(26,22(17)23(20)31-24)12-13-28(21)15-16-6-7-16/h1-5,8-9,16,19,21,24,27,29-30H,6-7,10-15H2/t19-,21?,24+,25+,26-/m1/s1
PDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
0.600n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding activity against Opioid receptor delta 1 using [3H]DPDPE ligand


J Med Chem 37: 579-85 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9QRG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50056628
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-phenyl-(...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccccc1 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/t21-,25+,26?,27-/m1/s1
PDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
0.830n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding activity against Opioid receptor delta 1 using [3H]DPDPE ligand


J Med Chem 37: 579-85 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9QRG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50040483
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-phenyl-(1S,...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)[C@@H](Cc1ccccc1)C[C@@]35O |TLB:3:4:30:7.13.12,17:18:30:7.13.12|
Show InChI InChI=1S/C27H29NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,17,19,21,25,29,31H,6-7,10-15H2/t19-,21?,25-,26-,27+/m0/s1
PDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
0.860n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding activity against Opioid receptor delta 1 using [3H]DPDPE ligand


J Med Chem 37: 579-85 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9QRG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50040484
PNG
(14-anilino-4-cyclopropylmethyl-(13R,14R,17S)-12-ox...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)Nc1ccccc1 |TLB:17:18:22:7.13.12,3:4:22:7.13.12|
Show InChI InChI=1S/C26H30N2O3/c29-20-9-8-17-14-21-26(30)11-10-19(27-18-4-2-1-3-5-18)24-25(26,22(17)23(20)31-24)12-13-28(21)15-16-6-7-16/h1-5,8-9,16,19,21,24,27,29-30H,6-7,10-15H2/t19-,21?,24+,25+,26-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
1.40n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding activity against mu opioid receptor using [3H]DAMGO ligand


J Med Chem 37: 579-85 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9QRG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50040483
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-phenyl-(1S,...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)[C@@H](Cc1ccccc1)C[C@@]35O |TLB:3:4:30:7.13.12,17:18:30:7.13.12|
Show InChI InChI=1S/C27H29NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,17,19,21,25,29,31H,6-7,10-15H2/t19-,21?,25-,26-,27+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
1.40n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding activity against mu opioid receptor using [3H]DAMGO ligand


J Med Chem 37: 579-85 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9QRG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50040487
PNG
(17-(cyclopropylmethyl)4,5-alpha-epoxy-3,14-dihydro...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)C1(Cc2ccccc2C1)C[C@@]35O |TLB:17:18:31:7.13.12,3:4:31:7.13.12|
Show InChI InChI=1S/C28H29NO4/c30-20-8-7-17-11-21-28(32)15-26(12-18-3-1-2-4-19(18)13-26)24(31)25-27(28,22(17)23(20)33-25)9-10-29(21)14-16-5-6-16/h1-4,7-8,16,21,25,30,32H,5-6,9-15H2/t21?,25-,27-,28+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
1.40n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding activity against mu opioid receptor using [3H]DAMGO ligand


J Med Chem 37: 579-85 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9QRG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50040484
PNG
(14-anilino-4-cyclopropylmethyl-(13R,14R,17S)-12-ox...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)Nc1ccccc1 |TLB:17:18:22:7.13.12,3:4:22:7.13.12|
Show InChI InChI=1S/C26H30N2O3/c29-20-9-8-17-14-21-26(30)11-10-19(27-18-4-2-1-3-5-18)24-25(26,22(17)23(20)31-24)12-13-28(21)15-16-6-7-16/h1-5,8-9,16,19,21,24,27,29-30H,6-7,10-15H2/t19-,21?,24+,25+,26-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
1.5n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding activity against Opioid receptor delta 2 using [3H]DSLET ligand


J Med Chem 37: 579-85 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9QRG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50056628
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-phenyl-(...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccccc1 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/t21-,25+,26?,27-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
1.80n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding activity against Opioid receptor delta 2 using [3H]DSLET ligand


J Med Chem 37: 579-85 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9QRG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50056628
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-phenyl-(...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccccc1 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/t21-,25+,26?,27-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
1.90n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding activity against mu opioid receptor using [3H]DAMGO ligand


J Med Chem 37: 579-85 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9QRG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50040484
PNG
(14-anilino-4-cyclopropylmethyl-(13R,14R,17S)-12-ox...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)Nc1ccccc1 |TLB:17:18:22:7.13.12,3:4:22:7.13.12|
Show InChI InChI=1S/C26H30N2O3/c29-20-9-8-17-14-21-26(30)11-10-19(27-18-4-2-1-3-5-18)24-25(26,22(17)23(20)31-24)12-13-28(21)15-16-6-7-16/h1-5,8-9,16,19,21,24,27,29-30H,6-7,10-15H2/t19-,21?,24+,25+,26-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
2.20n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding activity against kappa opioid receptor using [3H]U-69593 ligand


J Med Chem 37: 579-85 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9QRG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50040484
PNG
(14-anilino-4-cyclopropylmethyl-(13R,14R,17S)-12-ox...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)Nc1ccccc1 |TLB:17:18:22:7.13.12,3:4:22:7.13.12|
Show InChI InChI=1S/C26H30N2O3/c29-20-9-8-17-14-21-26(30)11-10-19(27-18-4-2-1-3-5-18)24-25(26,22(17)23(20)31-24)12-13-28(21)15-16-6-7-16/h1-5,8-9,16,19,21,24,27,29-30H,6-7,10-15H2/t19-,21?,24+,25+,26-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
2.20n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding activity against kappa opioid receptor using [3H]U-69593 ligand


J Med Chem 37: 579-85 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9QRG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50040484
PNG
(14-anilino-4-cyclopropylmethyl-(13R,14R,17S)-12-ox...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)Nc1ccccc1 |TLB:17:18:22:7.13.12,3:4:22:7.13.12|
Show InChI InChI=1S/C26H30N2O3/c29-20-9-8-17-14-21-26(30)11-10-19(27-18-4-2-1-3-5-18)24-25(26,22(17)23(20)31-24)12-13-28(21)15-16-6-7-16/h1-5,8-9,16,19,21,24,27,29-30H,6-7,10-15H2/t19-,21?,24+,25+,26-/m1/s1
PDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
4.5n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding activity against Opioid receptor delta 1 using [3H]DPDPE ligand


J Med Chem 37: 579-85 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9QRG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50040482
PNG
(17-(cyclopropylmethyl)-6,7-didehydro-4,5-alpha-epo...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C1(CC[C@@]35O)Oc2ccccc2O1 |TLB:17:18:22:7.13.12,3:4:22:7.13.12|
Show InChI InChI=1S/C26H27NO5/c28-17-8-7-16-13-20-25(29)9-10-26(31-18-3-1-2-4-19(18)32-26)23-24(25,21(16)22(17)30-23)11-12-27(20)14-15-5-6-15/h1-4,7-8,15,20,23,28-29H,5-6,9-14H2/t20?,23-,24+,25-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
5.20n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding activity against mu opioid receptor using [3H]DAMGO ligand


J Med Chem 37: 579-85 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9QRG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50040485
PNG
(15-benzyl-4-cyclopropylmethyl-10,17-dihydroxy-(1S,...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccccc1 |w:25.31,TLB:17:18:23:7.13.12,3:4:23:7.13.12|
Show InChI InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/t21?,25-,26-,27+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
5.90n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding activity against kappa opioid receptor using [3H]U-69593 ligand


J Med Chem 37: 579-85 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9QRG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50040484
PNG
(14-anilino-4-cyclopropylmethyl-(13R,14R,17S)-12-ox...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)Nc1ccccc1 |TLB:17:18:22:7.13.12,3:4:22:7.13.12|
Show InChI InChI=1S/C26H30N2O3/c29-20-9-8-17-14-21-26(30)11-10-19(27-18-4-2-1-3-5-18)24-25(26,22(17)23(20)31-24)12-13-28(21)15-16-6-7-16/h1-5,8-9,16,19,21,24,27,29-30H,6-7,10-15H2/t19-,21?,24+,25+,26-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
7.80n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding activity against Opioid receptor delta 2 using [3H]DSLET ligand


J Med Chem 37: 579-85 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9QRG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50040485
PNG
(15-benzyl-4-cyclopropylmethyl-10,17-dihydroxy-(1S,...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccccc1 |w:25.31,TLB:17:18:23:7.13.12,3:4:23:7.13.12|
Show InChI InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/t21?,25-,26-,27+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
10n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding activity against Opioid receptor delta 2 using [3H]DSLET ligand


J Med Chem 37: 579-85 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9QRG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50040485
PNG
(15-benzyl-4-cyclopropylmethyl-10,17-dihydroxy-(1S,...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccccc1 |w:25.31,TLB:17:18:23:7.13.12,3:4:23:7.13.12|
Show InChI InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/t21?,25-,26-,27+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
13n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding activity against mu opioid receptor using [3H]DAMGO ligand


J Med Chem 37: 579-85 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9QRG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50040487
PNG
(17-(cyclopropylmethyl)4,5-alpha-epoxy-3,14-dihydro...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)C1(Cc2ccccc2C1)C[C@@]35O |TLB:17:18:31:7.13.12,3:4:31:7.13.12|
Show InChI InChI=1S/C28H29NO4/c30-20-8-7-17-11-21-28(32)15-26(12-18-3-1-2-4-19(18)13-26)24(31)25-27(28,22(17)23(20)33-25)9-10-29(21)14-16-5-6-16/h1-4,7-8,16,21,25,30,32H,5-6,9-15H2/t21?,25-,27-,28+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
13n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding activity against kappa opioid receptor using [3H]U-69593 ligand


J Med Chem 37: 579-85 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9QRG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
14n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding activity against mu opioid receptor using [3H]DAMGO ligand


J Med Chem 37: 579-85 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9QRG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
14n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding activity against kappa opioid receptor using [3H]U-69593 ligand


J Med Chem 37: 579-85 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9QRG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50040482
PNG
(17-(cyclopropylmethyl)-6,7-didehydro-4,5-alpha-epo...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C1(CC[C@@]35O)Oc2ccccc2O1 |TLB:17:18:22:7.13.12,3:4:22:7.13.12|
Show InChI InChI=1S/C26H27NO5/c28-17-8-7-16-13-20-25(29)9-10-26(31-18-3-1-2-4-19(18)32-26)23-24(25,21(16)22(17)30-23)11-12-27(20)14-15-5-6-15/h1-4,7-8,15,20,23,28-29H,5-6,9-14H2/t20?,23-,24+,25-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
15n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding activity against Opioid receptor delta 2 using [3H]DSLET ligand


J Med Chem 37: 579-85 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9QRG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50040483
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-phenyl-(1S,...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)[C@@H](Cc1ccccc1)C[C@@]35O |TLB:3:4:30:7.13.12,17:18:30:7.13.12|
Show InChI InChI=1S/C27H29NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,17,19,21,25,29,31H,6-7,10-15H2/t19-,21?,25-,26-,27+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
25n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding activity against kappa opioid receptor using [3H]U-69593 ligand


J Med Chem 37: 579-85 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9QRG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50040482
PNG
(17-(cyclopropylmethyl)-6,7-didehydro-4,5-alpha-epo...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C1(CC[C@@]35O)Oc2ccccc2O1 |TLB:17:18:22:7.13.12,3:4:22:7.13.12|
Show InChI InChI=1S/C26H27NO5/c28-17-8-7-16-13-20-25(29)9-10-26(31-18-3-1-2-4-19(18)32-26)23-24(25,21(16)22(17)30-23)11-12-27(20)14-15-5-6-15/h1-4,7-8,15,20,23,28-29H,5-6,9-14H2/t20?,23-,24+,25-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
25n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding activity against kappa opioid receptor using [3H]U-69593 ligand


J Med Chem 37: 579-85 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9QRG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50056628
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-phenyl-(...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccccc1 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/t21-,25+,26?,27-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
66n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding activity against kappa opioid receptor using [3H]U-69593 ligand


J Med Chem 37: 579-85 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9QRG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50040482
PNG
(17-(cyclopropylmethyl)-6,7-didehydro-4,5-alpha-epo...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C1(CC[C@@]35O)Oc2ccccc2O1 |TLB:17:18:22:7.13.12,3:4:22:7.13.12|
Show InChI InChI=1S/C26H27NO5/c28-17-8-7-16-13-20-25(29)9-10-26(31-18-3-1-2-4-19(18)32-26)23-24(25,21(16)22(17)30-23)11-12-27(20)14-15-5-6-15/h1-4,7-8,15,20,23,28-29H,5-6,9-14H2/t20?,23-,24+,25-/m1/s1
PDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
121n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding activity against Opioid receptor delta 1 using [3H]DPDPE ligand


J Med Chem 37: 579-85 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9QRG
More data for this
Ligand-Target Pair