BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50036229   
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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50041573
PNG
(17-(cyclopropylmethyl)-17'-butyl-6,6',7,7'-tetrade...)
Show SMILES CCCCN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c2C[C@@]3(O)[C@H]6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O
Show InChI InChI=1S/C40H45N3O6/c1-2-3-12-42-13-10-37-29-21-6-8-25(44)33(29)48-35(37)31-23(17-39(37,46)27(42)15-21)24-18-40(47)28-16-22-7-9-26(45)34-30(22)38(40,36(49-34)32(24)41-31)11-14-43(28)19-20-4-5-20/h6-9,20,27-28,35-36,41,44-47H,2-5,10-19H2,1H3/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0400n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The binding affinity on kappa-opioid receptor using [3H]- U-69,593 as radioligand


J Med Chem 37: 1495-500 (1994)


Article DOI: 10.1021/jm00036a015
BindingDB Entry DOI: 10.7270/Q2XP75K7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.280n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The binding affinity on kappa-opioid receptor using [3H]- U-69,593 as radioligand


J Med Chem 37: 1495-500 (1994)


Article DOI: 10.1021/jm00036a015
BindingDB Entry DOI: 10.7270/Q2XP75K7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50041568
PNG
(17-(cyclopropylmethyl)-17'-[2-[(carbobenzyloxy)ami...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C=C8N(CCNC(=O)OCc9ccccc9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O
Show InChI InChI=1S/C46H46N4O8/c51-30-10-8-26-18-32-45(54)20-28-29-21-46(55)33-19-27-9-11-31(52)39-35(27)44(46,13-16-50(33)22-24-6-7-24)41(58-39)37(29)48-36(28)40-43(45,34(26)38(30)57-40)12-15-49(32)17-14-47-42(53)56-23-25-4-2-1-3-5-25/h1-5,8-11,18,24,33,40-41,48,51-52,54-55H,6-7,12-17,19-23H2,(H,47,53)/t33-,40+,41+,43+,44+,45-,46-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.360n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The binding affinity on kappa-opioid receptor using [3H]- U-69,593 as radioligand


J Med Chem 37: 1495-500 (1994)


Article DOI: 10.1021/jm00036a015
BindingDB Entry DOI: 10.7270/Q2XP75K7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50041572
PNG
(17-(cyclopropylmethyl)-17'-(2-guanidinoethyl-6,6',...)
Show SMILES NC(=N)NCCN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c2C[C@@]3(O)[C@H]6Cc7ccc(O)c8O[C@@H](c2[nH]c41)C3(CCN6CC1CC1)c78)ccc5O
Show InChI InChI=1S/C39H44N6O6/c40-35(41)42-9-12-44-10-7-36-27-19-3-5-23(46)31(27)50-33(36)29-21(15-38(36,48)25(44)13-19)22-16-39(49)26-14-20-4-6-24(47)32-28(20)37(39,34(51-32)30(22)43-29)8-11-45(26)17-18-1-2-18/h3-6,18,25-26,33-34,43,46-49H,1-2,7-17H2,(H4,40,41,42)/t25-,26-,33+,34+,36+,37?,38-,39-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.590n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The binding affinity on kappa-opioid receptor using [3H]- U-69,593 as radioligand


J Med Chem 37: 1495-500 (1994)


Article DOI: 10.1021/jm00036a015
BindingDB Entry DOI: 10.7270/Q2XP75K7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50041570
PNG
(17-(cyclopropylmethyl)-17'-aminoethyl-6,6',7,7'-te...)
Show SMILES NCCN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c2C[C@@]3(O)[C@H]6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O
Show InChI InChI=1S/C38H42N4O6/c39-9-12-41-10-7-35-27-19-3-5-23(43)31(27)47-33(35)29-21(15-37(35,45)25(41)13-19)22-16-38(46)26-14-20-4-6-24(44)32-28(20)36(38,34(48-32)30(22)40-29)8-11-42(26)17-18-1-2-18/h3-6,18,25-26,33-34,40,43-46H,1-2,7-17,39H2/t25-,26-,33+,34+,35+,36+,37-,38-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.40n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The binding affinity on kappa-opioid receptor using [3H]- U-69,593 as radioligand


J Med Chem 37: 1495-500 (1994)


Article DOI: 10.1021/jm00036a015
BindingDB Entry DOI: 10.7270/Q2XP75K7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50041573
PNG
(17-(cyclopropylmethyl)-17'-butyl-6,6',7,7'-tetrade...)
Show SMILES CCCCN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c2C[C@@]3(O)[C@H]6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O
Show InChI InChI=1S/C40H45N3O6/c1-2-3-12-42-13-10-37-29-21-6-8-25(44)33(29)48-35(37)31-23(17-39(37,46)27(42)15-21)24-18-40(47)28-16-22-7-9-26(45)34-30(22)38(40,36(49-34)32(24)41-31)11-14-43(28)19-20-4-5-20/h6-9,20,27-28,35-36,41,44-47H,2-5,10-19H2,1H3/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
15n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The binding affinity on delta-opioid receptor using [3H]- DPDPE as radioligand


J Med Chem 37: 1495-500 (1994)


Article DOI: 10.1021/jm00036a015
BindingDB Entry DOI: 10.7270/Q2XP75K7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50041569
PNG
(17-(cyclopropylmethyl)-17'-aminoethyl-6,6',7,7'-te...)
Show SMILES NCC(=O)NCC(=O)N1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c2C[C@@]3(O)[C@H]6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O
Show InChI InChI=1S/C40H43N5O8/c41-15-27(48)42-16-28(49)45-10-8-38-30-20-4-6-24(47)34(30)53-36(38)32-22(14-40(38,51)26(45)12-20)21-13-39(50)25-11-19-3-5-23(46)33-29(19)37(39,35(52-33)31(21)43-32)7-9-44(25)17-18-1-2-18/h3-6,18,25-26,35-36,43,46-47,50-51H,1-2,7-17,41H2,(H,42,48)/t25-,26-,35+,36+,37+,38+,39-,40-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
21n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The binding affinity on kappa-opioid receptor using [3H]- U-69,593 as radioligand


J Med Chem 37: 1495-500 (1994)


Article DOI: 10.1021/jm00036a015
BindingDB Entry DOI: 10.7270/Q2XP75K7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50041572
PNG
(17-(cyclopropylmethyl)-17'-(2-guanidinoethyl-6,6',...)
Show SMILES NC(=N)NCCN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c2C[C@@]3(O)[C@H]6Cc7ccc(O)c8O[C@@H](c2[nH]c41)C3(CCN6CC1CC1)c78)ccc5O
Show InChI InChI=1S/C39H44N6O6/c40-35(41)42-9-12-44-10-7-36-27-19-3-5-23(46)31(27)50-33(36)29-21(15-38(36,48)25(44)13-19)22-16-39(49)26-14-20-4-6-24(47)32-28(20)37(39,34(51-32)30(22)43-29)8-11-45(26)17-18-1-2-18/h3-6,18,25-26,33-34,43,46-49H,1-2,7-17H2,(H4,40,41,42)/t25-,26-,33+,34+,36+,37?,38-,39-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
37n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The binding affinity on delta-opioid receptor using [3H]- DPDPE as radioligand


J Med Chem 37: 1495-500 (1994)


Article DOI: 10.1021/jm00036a015
BindingDB Entry DOI: 10.7270/Q2XP75K7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
43n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The binding affinity on delta-opioid receptor using [3H]- DPDPE as radioligand


J Med Chem 37: 1495-500 (1994)


Article DOI: 10.1021/jm00036a015
BindingDB Entry DOI: 10.7270/Q2XP75K7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50041570
PNG
(17-(cyclopropylmethyl)-17'-aminoethyl-6,6',7,7'-te...)
Show SMILES NCCN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c2C[C@@]3(O)[C@H]6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O
Show InChI InChI=1S/C38H42N4O6/c39-9-12-41-10-7-35-27-19-3-5-23(43)31(27)47-33(35)29-21(15-37(35,45)25(41)13-19)22-16-38(46)26-14-20-4-6-24(44)32-28(20)36(38,34(48-32)30(22)40-29)8-11-42(26)17-18-1-2-18/h3-6,18,25-26,33-34,40,43-46H,1-2,7-17,39H2/t25-,26-,33+,34+,35+,36+,37-,38-/m1/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
46n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The binding affinity against mu-opioid receptor using [3H]- DAMGO as radioligand


J Med Chem 37: 1495-500 (1994)


Article DOI: 10.1021/jm00036a015
BindingDB Entry DOI: 10.7270/Q2XP75K7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
47n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The binding affinity against mu-opioid receptor using [3H]- DAMGO as radioligand


J Med Chem 37: 1495-500 (1994)


Article DOI: 10.1021/jm00036a015
BindingDB Entry DOI: 10.7270/Q2XP75K7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50041572
PNG
(17-(cyclopropylmethyl)-17'-(2-guanidinoethyl-6,6',...)
Show SMILES NC(=N)NCCN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c2C[C@@]3(O)[C@H]6Cc7ccc(O)c8O[C@@H](c2[nH]c41)C3(CCN6CC1CC1)c78)ccc5O
Show InChI InChI=1S/C39H44N6O6/c40-35(41)42-9-12-44-10-7-36-27-19-3-5-23(46)31(27)50-33(36)29-21(15-38(36,48)25(44)13-19)22-16-39(49)26-14-20-4-6-24(47)32-28(20)37(39,34(51-32)30(22)43-29)8-11-45(26)17-18-1-2-18/h3-6,18,25-26,33-34,43,46-49H,1-2,7-17H2,(H4,40,41,42)/t25-,26-,33+,34+,36+,37?,38-,39-/m1/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
50n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The binding affinity against mu-opioid receptor using [3H]- DAMGO as radioligand


J Med Chem 37: 1495-500 (1994)


Article DOI: 10.1021/jm00036a015
BindingDB Entry DOI: 10.7270/Q2XP75K7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50041569
PNG
(17-(cyclopropylmethyl)-17'-aminoethyl-6,6',7,7'-te...)
Show SMILES NCC(=O)NCC(=O)N1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c2C[C@@]3(O)[C@H]6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O
Show InChI InChI=1S/C40H43N5O8/c41-15-27(48)42-16-28(49)45-10-8-38-30-20-4-6-24(47)34(30)53-36(38)32-22(14-40(38,51)26(45)12-20)21-13-39(50)25-11-19-3-5-23(46)33-29(19)37(39,35(52-33)31(21)43-32)7-9-44(25)17-18-1-2-18/h3-6,18,25-26,35-36,43,46-47,50-51H,1-2,7-17,41H2,(H,42,48)/t25-,26-,35+,36+,37+,38+,39-,40-/m1/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
66n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The binding affinity against mu-opioid receptor using [3H]- DAMGO as radioligand


J Med Chem 37: 1495-500 (1994)


Article DOI: 10.1021/jm00036a015
BindingDB Entry DOI: 10.7270/Q2XP75K7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50041568
PNG
(17-(cyclopropylmethyl)-17'-[2-[(carbobenzyloxy)ami...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C=C8N(CCNC(=O)OCc9ccccc9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O
Show InChI InChI=1S/C46H46N4O8/c51-30-10-8-26-18-32-45(54)20-28-29-21-46(55)33-19-27-9-11-31(52)39-35(27)44(46,13-16-50(33)22-24-6-7-24)41(58-39)37(29)48-36(28)40-43(45,34(26)38(30)57-40)12-15-49(32)17-14-47-42(53)56-23-25-4-2-1-3-5-25/h1-5,8-11,18,24,33,40-41,48,51-52,54-55H,6-7,12-17,19-23H2,(H,47,53)/t33-,40+,41+,43+,44+,45-,46-/m1/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
70n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The binding affinity against mu-opioid receptor using [3H]- DAMGO as radioligand


J Med Chem 37: 1495-500 (1994)


Article DOI: 10.1021/jm00036a015
BindingDB Entry DOI: 10.7270/Q2XP75K7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50041573
PNG
(17-(cyclopropylmethyl)-17'-butyl-6,6',7,7'-tetrade...)
Show SMILES CCCCN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c2C[C@@]3(O)[C@H]6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O
Show InChI InChI=1S/C40H45N3O6/c1-2-3-12-42-13-10-37-29-21-6-8-25(44)33(29)48-35(37)31-23(17-39(37,46)27(42)15-21)24-18-40(47)28-16-22-7-9-26(45)34-30(22)38(40,36(49-34)32(24)41-31)11-14-43(28)19-20-4-5-20/h6-9,20,27-28,35-36,41,44-47H,2-5,10-19H2,1H3/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
73n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The binding affinity against mu-opioid receptor using [3H]- DAMGO as radioligand


J Med Chem 37: 1495-500 (1994)


Article DOI: 10.1021/jm00036a015
BindingDB Entry DOI: 10.7270/Q2XP75K7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50041568
PNG
(17-(cyclopropylmethyl)-17'-[2-[(carbobenzyloxy)ami...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C=C8N(CCNC(=O)OCc9ccccc9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O
Show InChI InChI=1S/C46H46N4O8/c51-30-10-8-26-18-32-45(54)20-28-29-21-46(55)33-19-27-9-11-31(52)39-35(27)44(46,13-16-50(33)22-24-6-7-24)41(58-39)37(29)48-36(28)40-43(45,34(26)38(30)57-40)12-15-49(32)17-14-47-42(53)56-23-25-4-2-1-3-5-25/h1-5,8-11,18,24,33,40-41,48,51-52,54-55H,6-7,12-17,19-23H2,(H,47,53)/t33-,40+,41+,43+,44+,45-,46-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
117n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The binding affinity on delta-opioid receptor using [3H]- DPDPE as radioligand


J Med Chem 37: 1495-500 (1994)


Article DOI: 10.1021/jm00036a015
BindingDB Entry DOI: 10.7270/Q2XP75K7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50041570
PNG
(17-(cyclopropylmethyl)-17'-aminoethyl-6,6',7,7'-te...)
Show SMILES NCCN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c2C[C@@]3(O)[C@H]6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O
Show InChI InChI=1S/C38H42N4O6/c39-9-12-41-10-7-35-27-19-3-5-23(43)31(27)47-33(35)29-21(15-37(35,45)25(41)13-19)22-16-38(46)26-14-20-4-6-24(44)32-28(20)36(38,34(48-32)30(22)40-29)8-11-42(26)17-18-1-2-18/h3-6,18,25-26,33-34,40,43-46H,1-2,7-17,39H2/t25-,26-,33+,34+,35+,36+,37-,38-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
137n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The binding affinity on delta-opioid receptor using [3H]- DPDPE as radioligand


J Med Chem 37: 1495-500 (1994)


Article DOI: 10.1021/jm00036a015
BindingDB Entry DOI: 10.7270/Q2XP75K7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50041569
PNG
(17-(cyclopropylmethyl)-17'-aminoethyl-6,6',7,7'-te...)
Show SMILES NCC(=O)NCC(=O)N1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c2C[C@@]3(O)[C@H]6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O
Show InChI InChI=1S/C40H43N5O8/c41-15-27(48)42-16-28(49)45-10-8-38-30-20-4-6-24(47)34(30)53-36(38)32-22(14-40(38,51)26(45)12-20)21-13-39(50)25-11-19-3-5-23(46)33-29(19)37(39,35(52-33)31(21)43-32)7-9-44(25)17-18-1-2-18/h3-6,18,25-26,35-36,43,46-47,50-51H,1-2,7-17,41H2,(H,42,48)/t25-,26-,35+,36+,37+,38+,39-,40-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The binding affinity on delta-opioid receptor using [3H]- DPDPE as radioligand


J Med Chem 37: 1495-500 (1994)


Article DOI: 10.1021/jm00036a015
BindingDB Entry DOI: 10.7270/Q2XP75K7
More data for this
Ligand-Target Pair