BindingDB logo
myBDB logout

PubMed code 20144870

Compile data set for download or QSAR
Found 51 hits of Enzyme Inhibition Constant Data   
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


(Homo sapiens (Human))
BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.0790n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50313228
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-[(5-{[(1R,9R,1...)
Show SMILES OC(COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)CC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C47H66N2O4/c50-36(30-52-38-15-13-34-23-44-40-11-1-3-17-46(40,42(34)26-38)19-21-48(44)28-32-7-5-8-32)25-37(51)31-53-39-16-14-35-24-45-41-12-2-4-18-47(41,43(35)27-39)20-22-49(45)29-33-9-6-10-33/h13-16,26-27,32-33,36-37,40-41,44-45,50-51H,1-12,17-25,28-31H2/t36?,37?,40-,41-,44+,45+,46+,47+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.170n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50313237
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-17-azatetracyclo...)
Show SMILES CCCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C31H47NO2/c1-2-3-4-5-6-7-8-15-30(33)34-26-17-16-25-21-29-27-14-9-10-18-31(27,28(25)22-26)19-20-32(29)23-24-12-11-13-24/h16-17,22,24,27,29H,2-15,18-21,23H2,1H3/t27-,29+,31+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50313237
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-17-azatetracyclo...)
Show SMILES CCCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C31H47NO2/c1-2-3-4-5-6-7-8-15-30(33)34-26-17-16-25-21-29-27-14-9-10-18-31(27,28(25)22-26)19-20-32(29)23-24-12-11-13-24/h16-17,22,24,27,29H,2-15,18-21,23H2,1H3/t27-,29+,31+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.210n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.230n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50313234
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-[3-(4-{[4-(3-{...)
Show SMILES OC(COc1ccc(Cc2ccc(OCC(O)COc3ccc4C[C@@H]5[C@@H]6CCCC[C@]6(CCN5CC5CCC5)c4c3)cc2)cc1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C61H78N2O6/c64-48(40-68-52-23-17-46-32-58-54-11-1-3-25-60(54,56(46)34-52)27-29-62(58)36-44-7-5-8-44)38-66-50-19-13-42(14-20-50)31-43-15-21-51(22-16-43)67-39-49(65)41-69-53-24-18-47-33-59-55-12-2-4-26-61(55,57(47)35-53)28-30-63(59)37-45-9-6-10-45/h13-24,34-35,44-45,48-49,54-55,58-59,64-65H,1-12,25-33,36-41H2/t48?,49?,54-,55-,58+,59+,60+,61+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.240n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50313234
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-[3-(4-{[4-(3-{...)
Show SMILES OC(COc1ccc(Cc2ccc(OCC(O)COc3ccc4C[C@@H]5[C@@H]6CCCC[C@]6(CCN5CC5CCC5)c4c3)cc2)cc1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C61H78N2O6/c64-48(40-68-52-23-17-46-32-58-54-11-1-3-25-60(54,56(46)34-52)27-29-62(58)36-44-7-5-8-44)38-66-50-19-13-42(14-20-50)31-43-15-21-51(22-16-43)67-39-49(65)41-69-53-24-18-47-33-59-55-12-2-4-26-61(55,57(47)35-53)28-30-63(59)37-45-9-6-10-45/h13-24,34-35,44-45,48-49,54-55,58-59,64-65H,1-12,25-33,36-41H2/t48?,49?,54-,55-,58+,59+,60+,61+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.340n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50313227
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-(3-{[(1R,9R,10...)
Show SMILES OC(COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C45H62N2O3/c48-35(29-49-36-15-13-33-23-42-38-11-1-3-17-44(38,40(33)25-36)19-21-46(42)27-31-7-5-8-31)30-50-37-16-14-34-24-43-39-12-2-4-18-45(39,41(34)26-37)20-22-47(43)28-32-9-6-10-32/h13-16,25-26,31-32,35,38-39,42-43,48H,1-12,17-24,27-30H2/t38-,39-,42+,43+,44+,45+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.950n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50313227
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-(3-{[(1R,9R,10...)
Show SMILES OC(COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C45H62N2O3/c48-35(29-49-36-15-13-33-23-42-38-11-1-3-17-44(38,40(33)25-36)19-21-46(42)27-31-7-5-8-31)30-50-37-16-14-34-24-43-39-12-2-4-18-45(39,41(34)26-37)20-22-47(43)28-32-9-6-10-32/h13-16,25-26,31-32,35,38-39,42-43,48H,1-12,17-24,27-30H2/t38-,39-,42+,43+,44+,45+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.990n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50313228
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-[(5-{[(1R,9R,1...)
Show SMILES OC(COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)CC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C47H66N2O4/c50-36(30-52-38-15-13-34-23-44-40-11-1-3-17-46(40,42(34)26-38)19-21-48(44)28-32-7-5-8-32)25-37(51)31-53-39-16-14-35-24-45-41-12-2-4-18-47(41,43(35)27-39)20-22-49(45)29-33-9-6-10-33/h13-16,26-27,32-33,36-37,40-41,44-45,50-51H,1-12,17-25,28-31H2/t36?,37?,40-,41-,44+,45+,46+,47+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50313233
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-[(10-{[(1R,9R,...)
Show SMILES OC(CCCCCCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:27:26:18:32.15.16|
Show InChI InChI=1S/C52H76N2O4/c55-41(35-57-43-21-19-39-29-49-45-17-5-7-23-51(45,47(39)31-43)25-27-53(49)33-37-11-9-12-37)15-3-1-2-4-16-42(56)36-58-44-22-20-40-30-50-46-18-6-8-24-52(46,48(40)32-44)26-28-54(50)34-38-13-10-14-38/h19-22,31-32,37-38,41-42,45-46,49-50,55-56H,1-18,23-30,33-36H2/t41?,42?,45-,46-,49+,50+,51+,52+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50313233
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-[(10-{[(1R,9R,...)
Show SMILES OC(CCCCCCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:27:26:18:32.15.16|
Show InChI InChI=1S/C52H76N2O4/c55-41(35-57-43-21-19-39-29-49-45-17-5-7-23-51(45,47(39)31-43)25-27-53(49)33-37-11-9-12-37)15-3-1-2-4-16-42(56)36-58-44-22-20-40-30-50-46-18-6-8-24-52(46,48(40)32-44)26-28-54(50)34-38-13-10-14-38/h19-22,31-32,37-38,41-42,45-46,49-50,55-56H,1-18,23-30,33-36H2/t41?,42?,45-,46-,49+,50+,51+,52+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.40n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50313231
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-[(8-{[(1R,9R,1...)
Show SMILES OC(CCCCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:25:24:16:30.13.14|
Show InChI InChI=1S/C50H72N2O4/c53-39(33-55-41-19-17-37-27-47-43-15-3-5-21-49(43,45(37)29-41)23-25-51(47)31-35-9-7-10-35)13-1-2-14-40(54)34-56-42-20-18-38-28-48-44-16-4-6-22-50(44,46(38)30-42)24-26-52(48)32-36-11-8-12-36/h17-20,29-30,35-36,39-40,43-44,47-48,53-54H,1-16,21-28,31-34H2/t39?,40?,43-,44-,47+,48+,49+,50+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.20n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50313231
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-[(8-{[(1R,9R,1...)
Show SMILES OC(CCCCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:25:24:16:30.13.14|
Show InChI InChI=1S/C50H72N2O4/c53-39(33-55-41-19-17-37-27-47-43-15-3-5-21-49(43,45(37)29-41)23-25-51(47)31-35-9-7-10-35)13-1-2-14-40(54)34-56-42-20-18-38-28-48-44-16-4-6-22-50(44,46(38)30-42)24-26-52(48)32-36-11-8-12-36/h17-20,29-30,35-36,39-40,43-44,47-48,53-54H,1-16,21-28,31-34H2/t39?,40?,43-,44-,47+,48+,49+,50+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.30n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50313232
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-[(9-{[(1R,9R,1...)
Show SMILES OC(CCCCCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:26:25:17:31.14.15|
Show InChI InChI=1S/C51H74N2O4/c54-40(34-56-42-20-18-38-28-48-44-16-4-6-22-50(44,46(38)30-42)24-26-52(48)32-36-10-8-11-36)14-2-1-3-15-41(55)35-57-43-21-19-39-29-49-45-17-5-7-23-51(45,47(39)31-43)25-27-53(49)33-37-12-9-13-37/h18-21,30-31,36-37,40-41,44-45,48-49,54-55H,1-17,22-29,32-35H2/t40?,41?,44-,45-,48+,49+,50+,51+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.90n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50313232
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-[(9-{[(1R,9R,1...)
Show SMILES OC(CCCCCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:26:25:17:31.14.15|
Show InChI InChI=1S/C51H74N2O4/c54-40(34-56-42-20-18-38-28-48-44-16-4-6-22-50(44,46(38)30-42)24-26-52(48)32-36-10-8-11-36)14-2-1-3-15-41(55)35-57-43-21-19-39-29-49-45-17-5-7-23-51(45,47(39)31-43)25-27-53(49)33-37-12-9-13-37/h18-21,30-31,36-37,40-41,44-45,48-49,54-55H,1-17,22-29,32-35H2/t40?,41?,44-,45-,48+,49+,50+,51+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.80n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
5.90n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cell membranes after 3 hrs by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50313226
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-(3-{[(1R,9R,10...)
Show SMILES C(COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C45H62N2O2/c1-3-18-44-20-22-46(30-32-8-5-9-32)42(38(44)12-1)26-34-14-16-36(28-40(34)44)48-24-7-25-49-37-17-15-35-27-43-39-13-2-4-19-45(39,41(35)29-37)21-23-47(43)31-33-10-6-11-33/h14-17,28-29,32-33,38-39,42-43H,1-13,18-27,30-31H2/t38-,39-,42+,43+,44+,45+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.20n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50313239
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-(2-hydroxy-3-p...)
Show SMILES OC(COc1ccccc1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:27:26:18:32.15.16|
Show InChI InChI=1S/C30H39NO3/c32-24(20-33-25-9-2-1-3-10-25)21-34-26-13-12-23-17-29-27-11-4-5-14-30(27,28(23)18-26)15-16-31(29)19-22-7-6-8-22/h1-3,9-10,12-13,18,22,24,27,29,32H,4-8,11,14-17,19-21H2/t24?,27-,29+,30+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.5n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50313226
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-(3-{[(1R,9R,10...)
Show SMILES C(COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C45H62N2O2/c1-3-18-44-20-22-46(30-32-8-5-9-32)42(38(44)12-1)26-34-14-16-36(28-40(34)44)48-24-7-25-49-37-17-15-35-27-43-39-13-2-4-19-45(39,41(35)29-37)21-23-47(43)31-33-10-6-11-33/h14-17,28-29,32-33,38-39,42-43H,1-13,18-27,30-31H2/t38-,39-,42+,43+,44+,45+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.10n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50313235
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-(oxiran-2-ylme...)
Show SMILES C(Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)C1CO1 |r,THB:17:16:8:22.5.6|
Show InChI InChI=1S/C24H33NO2/c1-2-9-24-10-11-25(14-17-4-3-5-17)23(21(24)6-1)12-18-7-8-19(13-22(18)24)26-15-20-16-27-20/h7-8,13,17,20-21,23H,1-6,9-12,14-16H2/t20?,21-,23+,24+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.30n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50313236
PNG
(1-{[(1R,9R,10R)-17-(cyclobutylmethyl)-17-azatetrac...)
Show SMILES CCCCCCCCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C31H49NO2/c1-2-3-4-5-6-7-13-26(33)23-34-27-16-15-25-20-30-28-14-8-9-17-31(28,29(25)21-27)18-19-32(30)22-24-11-10-12-24/h15-16,21,24,26,28,30,33H,2-14,17-20,22-23H2,1H3/t26?,28-,30+,31+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.40n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50313236
PNG
(1-{[(1R,9R,10R)-17-(cyclobutylmethyl)-17-azatetrac...)
Show SMILES CCCCCCCCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C31H49NO2/c1-2-3-4-5-6-7-13-26(33)23-34-27-16-15-25-20-30-28-14-8-9-17-31(28,29(25)21-27)18-19-32(30)22-24-11-10-12-24/h15-16,21,24,26,28,30,33H,2-14,17-20,22-23H2,1H3/t26?,28-,30+,31+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.30n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50313230
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-[(7-{[(1R,9R,1...)
Show SMILES OC(CCCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:24:23:15:29.12.13|
Show InChI InChI=1S/C49H70N2O4/c52-38(32-54-40-18-16-36-26-46-42-14-1-3-20-48(42,44(36)28-40)22-24-50(46)30-34-8-5-9-34)12-7-13-39(53)33-55-41-19-17-37-27-47-43-15-2-4-21-49(43,45(37)29-41)23-25-51(47)31-35-10-6-11-35/h16-19,28-29,34-35,38-39,42-43,46-47,52-53H,1-15,20-27,30-33H2/t38?,39?,42-,43-,46+,47+,48+,49+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.80n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50313229
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-[(6-{[(1R,9R,1...)
Show SMILES OC(CCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:23:22:14:28.11.12|
Show InChI InChI=1S/C48H68N2O4/c51-37(31-53-39-17-13-35-25-45-41-11-1-3-19-47(41,43(35)27-39)21-23-49(45)29-33-7-5-8-33)15-16-38(52)32-54-40-18-14-36-26-46-42-12-2-4-20-48(42,44(36)28-40)22-24-50(46)30-34-9-6-10-34/h13-14,17-18,27-28,33-34,37-38,41-42,45-46,51-52H,1-12,15-16,19-26,29-32H2/t37?,38?,41-,42-,45+,46+,47+,48+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
12n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50313230
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-[(7-{[(1R,9R,1...)
Show SMILES OC(CCCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:24:23:15:29.12.13|
Show InChI InChI=1S/C49H70N2O4/c52-38(32-54-40-18-16-36-26-46-42-14-1-3-20-48(42,44(36)28-40)22-24-50(46)30-34-8-5-9-34)12-7-13-39(53)33-55-41-19-17-37-27-47-43-15-2-4-21-49(43,45(37)29-41)23-25-51(47)31-35-10-6-11-35/h16-19,28-29,34-35,38-39,42-43,46-47,52-53H,1-15,20-27,30-33H2/t38?,39?,42-,43-,46+,47+,48+,49+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
12n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50313229
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-[(6-{[(1R,9R,1...)
Show SMILES OC(CCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:23:22:14:28.11.12|
Show InChI InChI=1S/C48H68N2O4/c51-37(31-53-39-17-13-35-25-45-41-11-1-3-19-47(41,43(35)27-39)21-23-49(45)29-33-7-5-8-33)15-16-38(52)32-54-40-18-14-36-26-46-42-12-2-4-20-48(42,44(36)28-40)22-24-50(46)30-34-9-6-10-34/h13-14,17-18,27-28,33-34,37-38,41-42,45-46,51-52H,1-12,15-16,19-26,29-32H2/t37?,38?,41-,42-,45+,46+,47+,48+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
17n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50135802
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-(4-{[(1R,9R,10...)
Show SMILES C(CCOc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C46H64N2O2/c1-3-19-45-21-23-47(31-33-9-7-10-33)43(39(45)13-1)27-35-15-17-37(29-41(35)45)49-25-5-6-26-50-38-18-16-36-28-44-40-14-2-4-20-46(40,42(36)30-38)22-24-48(44)32-34-11-8-12-34/h15-18,29-30,33-34,39-40,43-44H,1-14,19-28,31-32H2/t39-,40-,43+,44+,45+,46+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
18n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50313237
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-17-azatetracyclo...)
Show SMILES CCCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C31H47NO2/c1-2-3-4-5-6-7-8-15-30(33)34-26-17-16-25-21-29-27-14-9-10-18-31(27,28(25)22-26)19-20-32(29)23-24-12-11-13-24/h16-17,22,24,27,29H,2-15,18-21,23H2,1H3/t27-,29+,31+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
20n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cell membranes after 3 hrs by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50313239
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-(2-hydroxy-3-p...)
Show SMILES OC(COc1ccccc1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:27:26:18:32.15.16|
Show InChI InChI=1S/C30H39NO3/c32-24(20-33-25-9-2-1-3-10-25)21-34-26-13-12-23-17-29-27-11-4-5-14-30(27,28(23)18-26)15-16-31(29)19-22-7-6-8-22/h1-3,9-10,12-13,18,22,24,27,29,32H,4-8,11,14-17,19-21H2/t24?,27-,29+,30+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
22n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50313233
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-[(10-{[(1R,9R,...)
Show SMILES OC(CCCCCCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:27:26:18:32.15.16|
Show InChI InChI=1S/C52H76N2O4/c55-41(35-57-43-21-19-39-29-49-45-17-5-7-23-51(45,47(39)31-43)25-27-53(49)33-37-11-9-12-37)15-3-1-2-4-16-42(56)36-58-44-22-20-40-30-50-46-18-6-8-24-52(46,48(40)32-44)26-28-54(50)34-38-13-10-14-38/h19-22,31-32,37-38,41-42,45-46,49-50,55-56H,1-18,23-30,33-36H2/t41?,42?,45-,46-,49+,50+,51+,52+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
27n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cell membranes after 3 hrs by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50135802
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-(4-{[(1R,9R,10...)
Show SMILES C(CCOc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C46H64N2O2/c1-3-19-45-21-23-47(31-33-9-7-10-33)43(39(45)13-1)27-35-15-17-37(29-41(35)45)49-25-5-6-26-50-38-18-16-36-28-44-40-14-2-4-20-46(40,42(36)30-38)22-24-48(44)32-34-11-8-12-34/h15-18,29-30,33-34,39-40,43-44H,1-14,19-28,31-32H2/t39-,40-,43+,44+,45+,46+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
29n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50313234
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-[3-(4-{[4-(3-{...)
Show SMILES OC(COc1ccc(Cc2ccc(OCC(O)COc3ccc4C[C@@H]5[C@@H]6CCCC[C@]6(CCN5CC5CCC5)c4c3)cc2)cc1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C61H78N2O6/c64-48(40-68-52-23-17-46-32-58-54-11-1-3-25-60(54,56(46)34-52)27-29-62(58)36-44-7-5-8-44)38-66-50-19-13-42(14-20-50)31-43-15-21-51(22-16-43)67-39-49(65)41-69-53-24-18-47-33-59-55-12-2-4-26-61(55,57(47)35-53)28-30-63(59)37-45-9-6-10-45/h13-24,34-35,44-45,48-49,54-55,58-59,64-65H,1-12,25-33,36-41H2/t48?,49?,54-,55-,58+,59+,60+,61+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
29n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cell membranes after 3 hrs by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50313228
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-[(5-{[(1R,9R,1...)
Show SMILES OC(COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)CC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C47H66N2O4/c50-36(30-52-38-15-13-34-23-44-40-11-1-3-17-46(40,42(34)26-38)19-21-48(44)28-32-7-5-8-32)25-37(51)31-53-39-16-14-35-24-45-41-12-2-4-18-47(41,43(35)27-39)20-22-49(45)29-33-9-6-10-33/h13-16,26-27,32-33,36-37,40-41,44-45,50-51H,1-12,17-25,28-31H2/t36?,37?,40-,41-,44+,45+,46+,47+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
33n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cell membranes after 3 hrs by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50313235
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-(oxiran-2-ylme...)
Show SMILES C(Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)C1CO1 |r,THB:17:16:8:22.5.6|
Show InChI InChI=1S/C24H33NO2/c1-2-9-24-10-11-25(14-17-4-3-5-17)23(21(24)6-1)12-18-7-8-19(13-22(18)24)26-15-20-16-27-20/h7-8,13,17,20-21,23H,1-6,9-12,14-16H2/t20?,21-,23+,24+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
36n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50313227
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-(3-{[(1R,9R,10...)
Show SMILES OC(COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C45H62N2O3/c48-35(29-49-36-15-13-33-23-42-38-11-1-3-17-44(38,40(33)25-36)19-21-46(42)27-31-7-5-8-31)30-50-37-16-14-34-24-43-39-12-2-4-18-45(39,41(34)26-37)20-22-47(43)28-32-9-6-10-32/h13-16,25-26,31-32,35,38-39,42-43,48H,1-12,17-24,27-30H2/t38-,39-,42+,43+,44+,45+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
37n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cell membranes after 3 hrs by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50313238
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-(decyloxy)-17-...)
Show SMILES CCCCCCCCCCOc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C31H49NO/c1-2-3-4-5-6-7-8-11-21-33-27-17-16-26-22-30-28-15-9-10-18-31(28,29(26)23-27)19-20-32(30)24-25-13-12-14-25/h16-17,23,25,28,30H,2-15,18-22,24H2,1H3/t28-,30+,31+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
52n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50313236
PNG
(1-{[(1R,9R,10R)-17-(cyclobutylmethyl)-17-azatetrac...)
Show SMILES CCCCCCCCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C31H49NO2/c1-2-3-4-5-6-7-13-26(33)23-34-27-16-15-25-20-30-28-14-8-9-17-31(28,29(25)21-27)18-19-32(30)22-24-11-10-12-24/h15-16,21,24,26,28,30,33H,2-14,17-20,22-23H2,1H3/t26?,28-,30+,31+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
52n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cell membranes after 3 hrs by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50135811
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-[(10-{[(1R,9R,...)
Show SMILES C(CCCCCOc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)CCCCOc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C52H76N2O2/c1(3-5-11-31-55-43-23-21-41-33-49-45-19-7-9-25-51(45,47(41)35-43)27-29-53(49)37-39-15-13-16-39)2-4-6-12-32-56-44-24-22-42-34-50-46-20-8-10-26-52(46,48(42)36-44)28-30-54(50)38-40-17-14-18-40/h21-24,35-36,39-40,45-46,49-50H,1-20,25-34,37-38H2/t45-,46-,49+,50+,51+,52+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
66n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50313238
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-(decyloxy)-17-...)
Show SMILES CCCCCCCCCCOc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C31H49NO/c1-2-3-4-5-6-7-8-11-21-33-27-17-16-26-22-30-28-15-9-10-18-31(28,29(26)23-27)19-20-32(30)24-25-13-12-14-25/h16-17,23,25,28,30H,2-15,18-22,24H2,1H3/t28-,30+,31+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
70n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50313231
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-[(8-{[(1R,9R,1...)
Show SMILES OC(CCCCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:25:24:16:30.13.14|
Show InChI InChI=1S/C50H72N2O4/c53-39(33-55-41-19-17-37-27-47-43-15-3-5-21-49(43,45(37)29-41)23-25-51(47)31-35-9-7-10-35)13-1-2-14-40(54)34-56-42-20-18-38-28-48-44-16-4-6-22-50(44,46(38)30-42)24-26-52(48)32-36-11-8-12-36/h17-20,29-30,35-36,39-40,43-44,47-48,53-54H,1-16,21-28,31-34H2/t39?,40?,43-,44-,47+,48+,49+,50+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
74n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cell membranes after 3 hrs by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50313239
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-(2-hydroxy-3-p...)
Show SMILES OC(COc1ccccc1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:27:26:18:32.15.16|
Show InChI InChI=1S/C30H39NO3/c32-24(20-33-25-9-2-1-3-10-25)21-34-26-13-12-23-17-29-27-11-4-5-14-30(27,28(23)18-26)15-16-31(29)19-22-7-6-8-22/h1-3,9-10,12-13,18,22,24,27,29,32H,4-8,11,14-17,19-21H2/t24?,27-,29+,30+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
86n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cell membranes after 3 hrs by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50313232
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-[(9-{[(1R,9R,1...)
Show SMILES OC(CCCCCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:26:25:17:31.14.15|
Show InChI InChI=1S/C51H74N2O4/c54-40(34-56-42-20-18-38-28-48-44-16-4-6-22-50(44,46(38)30-42)24-26-52(48)32-36-10-8-11-36)14-2-1-3-15-41(55)35-57-43-21-19-39-29-49-45-17-5-7-23-51(45,47(39)31-43)25-27-53(49)33-37-12-9-13-37/h18-21,30-31,36-37,40-41,44-45,48-49,54-55H,1-17,22-29,32-35H2/t40?,41?,44-,45-,48+,49+,50+,51+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
99n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cell membranes after 3 hrs by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50135811
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-[(10-{[(1R,9R,...)
Show SMILES C(CCCCCOc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)CCCCOc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C52H76N2O2/c1(3-5-11-31-55-43-23-21-41-33-49-45-19-7-9-25-51(45,47(41)35-43)27-29-53(49)37-39-15-13-16-39)2-4-6-12-32-56-44-24-22-42-34-50-46-20-8-10-26-52(46,48(42)36-44)28-30-54(50)38-40-17-14-18-40/h21-24,35-36,39-40,45-46,49-50H,1-20,25-34,37-38H2/t45-,46-,49+,50+,51+,52+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
120n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50313230
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-[(7-{[(1R,9R,1...)
Show SMILES OC(CCCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:24:23:15:29.12.13|
Show InChI InChI=1S/C49H70N2O4/c52-38(32-54-40-18-16-36-26-46-42-14-1-3-20-48(42,44(36)28-40)22-24-50(46)30-34-8-5-9-34)12-7-13-39(53)33-55-41-19-17-37-27-47-43-15-2-4-21-49(43,45(37)29-41)23-25-51(47)31-35-10-6-11-35/h16-19,28-29,34-35,38-39,42-43,46-47,52-53H,1-15,20-27,30-33H2/t38?,39?,42-,43-,46+,47+,48+,49+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
160n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cell membranes after 3 hrs by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50313226
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-(3-{[(1R,9R,10...)
Show SMILES C(COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C45H62N2O2/c1-3-18-44-20-22-46(30-32-8-5-9-32)42(38(44)12-1)26-34-14-16-36(28-40(34)44)48-24-7-25-49-37-17-15-35-27-43-39-13-2-4-19-45(39,41(35)29-37)21-23-47(43)31-33-10-6-11-33/h14-17,28-29,32-33,38-39,42-43H,1-13,18-27,30-31H2/t38-,39-,42+,43+,44+,45+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
180n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cell membranes after 3 hrs by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50313235
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-(oxiran-2-ylme...)
Show SMILES C(Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)C1CO1 |r,THB:17:16:8:22.5.6|
Show InChI InChI=1S/C24H33NO2/c1-2-9-24-10-11-25(14-17-4-3-5-17)23(21(24)6-1)12-18-7-8-19(13-22(18)24)26-15-20-16-27-20/h7-8,13,17,20-21,23H,1-6,9-12,14-16H2/t20?,21-,23+,24+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
200n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cell membranes after 3 hrs by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50313229
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-[(6-{[(1R,9R,1...)
Show SMILES OC(CCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:23:22:14:28.11.12|
Show InChI InChI=1S/C48H68N2O4/c51-37(31-53-39-17-13-35-25-45-41-11-1-3-19-47(41,43(35)27-39)21-23-49(45)29-33-7-5-8-33)15-16-38(52)32-54-40-18-14-36-26-46-42-12-2-4-20-48(42,44(36)28-40)22-24-50(46)30-34-9-6-10-34/h13-14,17-18,27-28,33-34,37-38,41-42,45-46,51-52H,1-12,15-16,19-26,29-32H2/t37?,38?,41-,42-,45+,46+,47+,48+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
420n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cell membranes after 3 hrs by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50135802
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-(4-{[(1R,9R,10...)
Show SMILES C(CCOc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C46H64N2O2/c1-3-19-45-21-23-47(31-33-9-7-10-33)43(39(45)13-1)27-35-15-17-37(29-41(35)45)49-25-5-6-26-50-38-18-16-36-28-44-40-14-2-4-20-46(40,42(36)30-38)22-24-48(44)32-34-11-8-12-34/h15-18,29-30,33-34,39-40,43-44H,1-14,19-28,31-32H2/t39-,40-,43+,44+,45+,46+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
730n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cell membranes after 3 hrs by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50313238
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-(decyloxy)-17-...)
Show SMILES CCCCCCCCCCOc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C31H49NO/c1-2-3-4-5-6-7-8-11-21-33-27-17-16-26-22-30-28-15-9-10-18-31(28,29(26)23-27)19-20-32(30)24-25-13-12-14-25/h16-17,23,25,28,30H,2-15,18-22,24H2,1H3/t28-,30+,31+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
920n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cell membranes after 3 hrs by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50135811
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-[(10-{[(1R,9R,...)
Show SMILES C(CCCCCOc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)CCCCOc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C52H76N2O2/c1(3-5-11-31-55-43-23-21-41-33-49-45-19-7-9-25-51(45,47(41)35-43)27-29-53(49)37-39-15-13-16-39)2-4-6-12-32-56-44-24-22-42-34-50-46-20-8-10-26-52(46,48(42)36-44)28-30-54(50)38-40-17-14-18-40/h21-24,35-36,39-40,45-46,49-50H,1-20,25-34,37-38H2/t45-,46-,49+,50+,51+,52+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.50E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cell membranes after 3 hrs by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%