BindingDB logo
myBDB logout

PubMed code 21482470

Compile data set for download or QSAR
Found 71 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))
BDBM50210557
PNG
(CHEMBL242756 | MCL-147)
Show SMILES Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |THB:18:17:6.5.7:9|
Show InChI InChI=1S/C21H27N3S/c22-20-23-17-11-16-14(10-19(17)25-20)9-18-15-3-1-2-6-21(15,16)7-8-24(18)12-13-4-5-13/h10-11,13,15,18H,1-9,12H2,(H2,22,23)/t15-,18+,21+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.0490n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa-opioid receptor expressed in CHO cells assessed as inhibition of U69593-induced [35S]GTPgammaS binding after 60 mi...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50135806
PNG
(CHEMBL147511 | MCL-144 | di[17-cyclobutylmethyl-(1...)
Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C52H72N2O4/c55-49(57-41-23-21-39-31-47-43-17-7-9-25-51(43,45(39)33-41)27-29-53(47)35-37-13-11-14-37)19-5-3-1-2-4-6-20-50(56)58-42-24-22-40-32-48-44-18-8-10-26-52(44,46(40)34-42)28-30-54(48)36-38-15-12-16-38/h21-24,33-34,37-38,43-44,47-48H,1-20,25-32,35-36H2/t43-,44-,47+,48+,51+,52+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0490n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa-opioid receptor expressed in CHO cells assessed as inhibition of U69593-induced [35S]GTPgammaS binding after 60 mi...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50343625
PNG
((-)-17-N-Cyclobutylmethyl)morphinan-3-yl-(-)-14-hy...)
Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@@H]5[C@@H]6CCCC[C@]6(CCN5CC5CCC5)c4c3)cc12 |r,TLB:10:9:17.58.16:1|
Show InChI InChI=1S/C52H72N2O5/c55-48(58-41-22-20-39-31-46-43-17-7-8-24-50(43,44(39)33-41)27-29-53(46)35-37-13-11-14-37)18-5-3-1-2-4-6-19-49(56)59-42-23-21-40-32-47-52(57)26-10-9-25-51(52,45(40)34-42)28-30-54(47)36-38-15-12-16-38/h20-23,33-34,37-38,43,46-47,57H,1-19,24-32,35-36H2/t43-,46+,47+,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
0.0730n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69563 from human kappa-opioid receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
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
Antagonist activity at human kappa-opioid receptor expressed in CHO cells assessed as inhibition of U69593-induced [35S]GTPgammaS binding after 60 mi...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50135797
PNG
(CHEMBL146756 | di[17-cyclobutylmethyl-(1R,9R,10R)-...)
Show SMILES O=C(Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)\C=C\C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C46H58N2O4/c49-43(51-35-15-13-33-25-41-37-11-1-3-19-45(37,39(33)27-35)21-23-47(41)29-31-7-5-8-31)17-18-44(50)52-36-16-14-34-26-42-38-12-2-4-20-46(38,40(34)28-36)22-24-48(42)30-32-9-6-10-32/h13-18,27-28,31-32,37-38,41-42H,1-12,19-26,29-30H2/b18-17+/t37-,38-,41+,42+,45+,46+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0800n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa-opioid receptor expressed in CHO cells assessed as inhibition of U69593-induced [35S]GTPgammaS binding after 60 mi...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50343625
PNG
((-)-17-N-Cyclobutylmethyl)morphinan-3-yl-(-)-14-hy...)
Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@@H]5[C@@H]6CCCC[C@]6(CCN5CC5CCC5)c4c3)cc12 |r,TLB:10:9:17.58.16:1|
Show InChI InChI=1S/C52H72N2O5/c55-48(58-41-22-20-39-31-46-43-17-7-8-24-50(43,44(39)33-41)27-29-53(46)35-37-13-11-14-37)18-5-3-1-2-4-6-19-49(56)59-42-23-21-40-32-47-52(57)26-10-9-25-51(52,45(40)34-42)28-30-54(47)36-38-15-12-16-38/h20-23,33-34,37-38,43,46-47,57H,1-19,24-32,35-36H2/t43-,46+,47+,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
0.0890n/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 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50135806
PNG
(CHEMBL147511 | MCL-144 | di[17-cyclobutylmethyl-(1...)
Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C52H72N2O4/c55-49(57-41-23-21-39-31-47-43-17-7-9-25-51(43,45(39)33-41)27-29-53(47)35-37-13-11-14-37)19-5-3-1-2-4-6-20-50(56)58-42-24-22-40-32-48-44-18-8-10-26-52(44,46(40)34-42)28-30-54(48)36-38-15-12-16-38/h21-24,33-34,37-38,43-44,47-48H,1-20,25-32,35-36H2/t43-,44-,47+,48+,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
0.0900n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human mu-opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding after 60 mins b...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50240437
PNG
((-)-17-(cyclobutylmethyl)morphinan-3,14-diol | (-)...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:8:7:4.22.5:20|
Show InChI InChI=1S/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2/t19-,20+,21-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

DrugBank
Article
PubMed
0.120n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa-opioid receptor expressed in CHO cells assessed as inhibition of U69593-induced [35S]GTPgammaS binding after 60 mi...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50343626
PNG
((5alpha)-17-Allyl-14-hydroxy-6-oxo-4,5-epoxymorphi...)
Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@H]5N(CC=C)CC[C@@]67[C@@H](Oc3c46)C(=O)CC[C@@]57O)cc12 |r,TLB:11:10:18.60.17:2|
Show InChI InChI=1S/C51H66N2O8/c1-3-27-52-29-26-49-45-36-18-20-40(46(45)61-47(49)39(54)21-24-50(49,57)41(52)31-36)60-44(56)16-9-7-5-4-6-8-15-43(55)59-37-19-17-35-30-42-51(58-2)23-11-10-22-48(51,38(35)32-37)25-28-53(42)33-34-13-12-14-34/h3,17-20,32,34,41-42,47,57H,1,4-16,21-31,33H2,2H3/t41-,42-,47+,48+,49+,50-,51-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.140n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69563 from human kappa-opioid receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50343629
PNG
((-)-14-Methoxybutorphanol | CHEMBL1774946)
Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(O)cc12 |r,TLB:11:10:17.24.18:2|
Show InChI InChI=1S/C22H31NO2/c1-25-22-10-3-2-9-21(22)11-12-23(15-16-5-4-6-16)20(22)13-17-7-8-18(24)14-19(17)21/h7-8,14,16,20,24H,2-6,9-13,15H2,1H3/t20-,21+,22-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.140n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human mu-opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding after 60 mins b...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50343627
PNG
(Benzyl-(-)-14-methoxy-butorphanol-3-yl-decanedioat...)
Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)OCc3ccccc3)cc12 |r,TLB:11:10:18.44.17:2|
Show InChI InChI=1S/C39H53NO5/c1-43-39-23-12-11-22-38(39)24-25-40(28-30-16-13-17-30)35(39)26-32-20-21-33(27-34(32)38)45-37(42)19-10-5-3-2-4-9-18-36(41)44-29-31-14-7-6-8-15-31/h6-8,14-15,20-21,27,30,35H,2-5,9-13,16-19,22-26,28-29H2,1H3/t35-,38+,39-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.150n/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 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50343629
PNG
((-)-14-Methoxybutorphanol | CHEMBL1774946)
Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(O)cc12 |r,TLB:11:10:17.24.18:2|
Show InChI InChI=1S/C22H31NO2/c1-25-22-10-3-2-9-21(22)11-12-23(15-16-5-4-6-16)20(22)13-17-7-8-18(24)14-19(17)21/h7-8,14,16,20,24H,2-6,9-13,15H2,1H3/t20-,21+,22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69563 from human kappa-opioid receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50135797
PNG
(CHEMBL146756 | di[17-cyclobutylmethyl-(1R,9R,10R)-...)
Show SMILES O=C(Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)\C=C\C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C46H58N2O4/c49-43(51-35-15-13-33-25-41-37-11-1-3-19-45(37,39(33)27-35)21-23-47(41)29-31-7-5-8-31)17-18-44(50)52-36-16-14-34-26-42-38-12-2-4-20-46(38,40(34)28-36)22-24-48(42)30-32-9-6-10-32/h13-18,27-28,31-32,37-38,41-42H,1-12,19-26,29-30H2/b18-17+/t37-,38-,41+,42+,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
0.200n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human mu-opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding after 60 mins b...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50240437
PNG
((-)-17-(cyclobutylmethyl)morphinan-3,14-diol | (-)...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:8:7:4.22.5:20|
Show InChI InChI=1S/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2/t19-,20+,21-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.220n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human mu-opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding after 60 mins b...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
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
Antagonist activity at human mu-opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding after 60 mins b...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50343627
PNG
(Benzyl-(-)-14-methoxy-butorphanol-3-yl-decanedioat...)
Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)OCc3ccccc3)cc12 |r,TLB:11:10:18.44.17:2|
Show InChI InChI=1S/C39H53NO5/c1-43-39-23-12-11-22-38(39)24-25-40(28-30-16-13-17-30)35(39)26-32-20-21-33(27-34(32)38)45-37(42)19-10-5-3-2-4-9-18-36(41)44-29-31-14-7-6-8-15-31/h6-8,14-15,20-21,27,30,35H,2-5,9-13,16-19,22-26,28-29H2,1H3/t35-,38+,39-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.230n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69563 from human kappa-opioid receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

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



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human mu-opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding after 60 mins b...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.25n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa-opioid receptor expressed in CHO cells assessed as inhibition of U69593-induced [35S]GTPgammaS binding after 60 mi...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50343628
PNG
(Bis((-)-14-methoxy-17-N-cyclobutylmethyl)morphinan...)
Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@H]5N(CC6CCC6)CC[C@@]6(CCCC[C@@]56OC)c4c3)cc12 |r,TLB:11:10:18.61.17:2|
Show InChI InChI=1S/C54H76N2O6/c1-59-53-27-11-9-25-51(53)29-31-55(37-39-15-13-16-39)47(53)33-41-21-23-43(35-45(41)51)61-49(57)19-7-5-3-4-6-8-20-50(58)62-44-24-22-42-34-48-54(60-2)28-12-10-26-52(54,46(42)36-44)30-32-56(48)38-40-17-14-18-40/h21-24,35-36,39-40,47-48H,3-20,25-34,37-38H2,1-2H3/t47-,48-,51+,52+,53-,54-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.260n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human mu-opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding after 60 mins b...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50343623
PNG
((-)-3,30-(Decane-1,10-diaminothiazolo)bis(cyclopro...)
Show SMILES C(CCCCCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1)CCCCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:24:23:12.11.13:15|
Show InChI InChI=1S/C52H72N6S2/c1(3-5-11-23-53-49-55-43-31-41-37(29-47(43)59-49)27-45-39-13-7-9-19-51(39,41)21-25-57(45)33-35-15-16-35)2-4-6-12-24-54-50-56-44-32-42-38(30-48(44)60-50)28-46-40-14-8-10-20-52(40,42)22-26-58(46)34-36-17-18-36/h29-32,35-36,39-40,45-46H,1-28,33-34H2,(H,53,55)(H,54,56)/t39-,40-,45+,46+,51+,52+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.270n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69563 from human kappa-opioid receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50343624
PNG
(5alpha-17-Allyl-14-hydroxy-6-oxo-4,5-epoxymorphina...)
Show SMILES O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC=C)CC[C@@]235)ccc4OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r|
Show InChI InChI=1S/C50H64N2O8/c1-2-26-51-28-25-48-44-35-17-19-39(45(44)60-46(48)38(53)20-23-50(48,57)41(51)30-35)59-43(55)15-8-6-4-3-5-7-14-42(54)58-36-18-16-34-29-40-49(56)22-10-9-21-47(49,37(34)31-36)24-27-52(40)32-33-12-11-13-33/h2,16-19,31,33,40-41,46,56-57H,1,3-15,20-30,32H2/t40-,41-,46+,47+,48+,49-,50-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.280n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69563 from human kappa-opioid receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50343628
PNG
(Bis((-)-14-methoxy-17-N-cyclobutylmethyl)morphinan...)
Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@H]5N(CC6CCC6)CC[C@@]6(CCCC[C@@]56OC)c4c3)cc12 |r,TLB:11:10:18.61.17:2|
Show InChI InChI=1S/C54H76N2O6/c1-59-53-27-11-9-25-51(53)29-31-55(37-39-15-13-16-39)47(53)33-41-21-23-43(35-45(41)51)61-49(57)19-7-5-3-4-6-8-20-50(58)62-44-24-22-42-34-48-54(60-2)28-12-10-26-52(54,46(42)36-44)30-32-56(48)38-40-17-14-18-40/h21-24,35-36,39-40,47-48H,3-20,25-34,37-38H2,1-2H3/t47-,48-,51+,52+,53-,54-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.370n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69563 from human kappa-opioid receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50343630
PNG
(Bis((-)-3-aminothiazolo-N-cyclopropylmethylmorphin...)
Show SMILES O=C(CCCCCCCCC(=O)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:55:54:43.42.44:46|
Show InChI InChI=1S/C52H68N6O2S2/c59-47(55-49-53-41-29-39-35(27-45(41)61-49)25-43-37-11-7-9-19-51(37,39)21-23-57(43)31-33-15-16-33)13-5-3-1-2-4-6-14-48(60)56-50-54-42-30-40-36(28-46(42)62-50)26-44-38-12-8-10-20-52(38,40)22-24-58(44)32-34-17-18-34/h27-30,33-34,37-38,43-44H,1-26,31-32H2,(H,53,55,59)(H,54,56,60)/t37-,38-,43+,44+,51+,52+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.370n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69563 from human kappa-opioid receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50343626
PNG
((5alpha)-17-Allyl-14-hydroxy-6-oxo-4,5-epoxymorphi...)
Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@H]5N(CC=C)CC[C@@]67[C@@H](Oc3c46)C(=O)CC[C@@]57O)cc12 |r,TLB:11:10:18.60.17:2|
Show InChI InChI=1S/C51H66N2O8/c1-3-27-52-29-26-49-45-36-18-20-40(46(45)61-47(49)39(54)21-24-50(49,57)41(52)31-36)60-44(56)16-9-7-5-4-6-8-15-43(55)59-37-19-17-35-30-42-51(58-2)23-11-10-22-48(51,38(35)32-37)25-28-53(42)33-34-13-12-14-34/h3,17-20,32,34,41-42,47,57H,1,4-16,21-31,33H2,2H3/t41-,42-,47+,48+,49+,50-,51-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.550n/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 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50343624
PNG
(5alpha-17-Allyl-14-hydroxy-6-oxo-4,5-epoxymorphina...)
Show SMILES O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC=C)CC[C@@]235)ccc4OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r|
Show InChI InChI=1S/C50H64N2O8/c1-2-26-51-28-25-48-44-35-17-19-39(45(44)60-46(48)38(53)20-23-50(48,57)41(51)30-35)59-43(55)15-8-6-4-3-5-7-14-42(54)58-36-18-16-34-29-40-49(56)22-10-9-21-47(49,37(34)31-36)24-27-52(40)32-33-12-11-13-33/h2,16-19,31,33,40-41,46,56-57H,1,3-15,20-30,32H2/t40-,41-,46+,47+,48+,49-,50-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.820n/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 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50210557
PNG
(CHEMBL242756 | MCL-147)
Show SMILES Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |THB:18:17:6.5.7:9|
Show InChI InChI=1S/C21H27N3S/c22-20-23-17-11-16-14(10-19(17)25-20)9-18-15-3-1-2-6-21(15,16)7-8-24(18)12-13-4-5-13/h10-11,13,15,18H,1-9,12H2,(H2,22,23)/t15-,18+,21+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human mu-opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding after 60 mins b...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50343623
PNG
((-)-3,30-(Decane-1,10-diaminothiazolo)bis(cyclopro...)
Show SMILES C(CCCCCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1)CCCCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:24:23:12.11.13:15|
Show InChI InChI=1S/C52H72N6S2/c1(3-5-11-23-53-49-55-43-31-41-37(29-47(43)59-49)27-45-39-13-7-9-19-51(39,41)21-25-57(45)33-35-15-16-35)2-4-6-12-24-54-50-56-44-32-42-38(30-48(44)60-50)28-46-40-14-8-10-20-52(40,42)22-26-58(46)34-36-17-18-36/h29-32,35-36,39-40,45-46H,1-28,33-34H2,(H,53,55)(H,54,56)/t39-,40-,45+,46+,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
2.5n/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 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50135806
PNG
(CHEMBL147511 | MCL-144 | di[17-cyclobutylmethyl-(1...)
Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C52H72N2O4/c55-49(57-41-23-21-39-31-47-43-17-7-9-25-51(43,45(39)33-41)27-29-53(47)35-37-13-11-14-37)19-5-3-1-2-4-6-20-50(56)58-42-24-22-40-32-48-44-18-8-10-26-52(44,46(40)34-42)28-30-54(48)36-38-15-12-16-38/h21-24,33-34,37-38,43-44,47-48H,1-20,25-32,35-36H2/t43-,44-,47+,48+,51+,52+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.20n/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 cells after 3 hrs by scintillation counting


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
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 cells after 3 hrs by scintillation counting


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50343625
PNG
((-)-17-N-Cyclobutylmethyl)morphinan-3-yl-(-)-14-hy...)
Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@@H]5[C@@H]6CCCC[C@]6(CCN5CC5CCC5)c4c3)cc12 |r,TLB:10:9:17.58.16:1|
Show InChI InChI=1S/C52H72N2O5/c55-48(58-41-22-20-39-31-46-43-17-7-8-24-50(43,44(39)33-41)27-29-53(46)35-37-13-11-14-37)18-5-3-1-2-4-6-19-49(56)59-42-23-21-40-32-47-52(57)26-10-9-25-51(52,45(40)34-42)28-30-54(47)36-38-15-12-16-38/h20-23,33-34,37-38,43,46-47,57H,1-19,24-32,35-36H2/t43-,46+,47+,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
8n/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 cells after 3 hrs by scintillation counting


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50343629
PNG
((-)-14-Methoxybutorphanol | CHEMBL1774946)
Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(O)cc12 |r,TLB:11:10:17.24.18:2|
Show InChI InChI=1S/C22H31NO2/c1-25-22-10-3-2-9-21(22)11-12-23(15-16-5-4-6-16)20(22)13-17-7-8-18(24)14-19(17)21/h7-8,14,16,20,24H,2-6,9-13,15H2,1H3/t20-,21+,22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
8.10n/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 cells after 3 hrs by scintillation counting


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50343630
PNG
(Bis((-)-3-aminothiazolo-N-cyclopropylmethylmorphin...)
Show SMILES O=C(CCCCCCCCC(=O)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:55:54:43.42.44:46|
Show InChI InChI=1S/C52H68N6O2S2/c59-47(55-49-53-41-29-39-35(27-45(41)61-49)25-43-37-11-7-9-19-51(37,39)21-23-57(43)31-33-15-16-33)13-5-3-1-2-4-6-14-48(60)56-50-54-42-30-40-36(28-46(42)62-50)26-44-38-12-8-10-20-52(38,40)22-24-58(44)32-34-17-18-34/h27-30,33-34,37-38,43-44H,1-26,31-32H2,(H,53,55,59)(H,54,56,60)/t37-,38-,43+,44+,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
8.80n/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 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50135797
PNG
(CHEMBL146756 | di[17-cyclobutylmethyl-(1R,9R,10R)-...)
Show SMILES O=C(Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)\C=C\C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C46H58N2O4/c49-43(51-35-15-13-33-25-41-37-11-1-3-19-45(37,39(33)27-35)21-23-47(41)29-31-7-5-8-31)17-18-44(50)52-36-16-14-34-26-42-38-12-2-4-20-46(38,40(34)28-36)22-24-48(42)30-32-9-6-10-32/h13-18,27-28,31-32,37-38,41-42H,1-12,19-26,29-30H2/b18-17+/t37-,38-,41+,42+,45+,46+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.40n/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 cells after 3 hrs by scintillation counting


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50240437
PNG
((-)-17-(cyclobutylmethyl)morphinan-3,14-diol | (-)...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:8:7:4.22.5:20|
Show InChI InChI=1S/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2/t19-,20+,21-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
12n/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 cells after 3 hrs by scintillation counting


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50343628
PNG
(Bis((-)-14-methoxy-17-N-cyclobutylmethyl)morphinan...)
Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@H]5N(CC6CCC6)CC[C@@]6(CCCC[C@@]56OC)c4c3)cc12 |r,TLB:11:10:18.61.17:2|
Show InChI InChI=1S/C54H76N2O6/c1-59-53-27-11-9-25-51(53)29-31-55(37-39-15-13-16-39)47(53)33-41-21-23-43(35-45(41)51)61-49(57)19-7-5-3-4-6-8-20-50(58)62-44-24-22-42-34-48-54(60-2)28-12-10-26-52(54,46(42)36-44)30-32-56(48)38-40-17-14-18-40/h21-24,35-36,39-40,47-48H,3-20,25-34,37-38H2,1-2H3/t47-,48-,51+,52+,53-,54-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
13n/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 cells after 3 hrs by scintillation counting


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50343627
PNG
(Benzyl-(-)-14-methoxy-butorphanol-3-yl-decanedioat...)
Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)OCc3ccccc3)cc12 |r,TLB:11:10:18.44.17:2|
Show InChI InChI=1S/C39H53NO5/c1-43-39-23-12-11-22-38(39)24-25-40(28-30-16-13-17-30)35(39)26-32-20-21-33(27-34(32)38)45-37(42)19-10-5-3-2-4-9-18-36(41)44-29-31-14-7-6-8-15-31/h6-8,14-15,20-21,27,30,35H,2-5,9-13,16-19,22-26,28-29H2,1H3/t35-,38+,39-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
14n/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 cells after 3 hrs by scintillation counting


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50210557
PNG
(CHEMBL242756 | MCL-147)
Show SMILES Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |THB:18:17:6.5.7:9|
Show InChI InChI=1S/C21H27N3S/c22-20-23-17-11-16-14(10-19(17)25-20)9-18-15-3-1-2-6-21(15,16)7-8-24(18)12-13-4-5-13/h10-11,13,15,18H,1-9,12H2,(H2,22,23)/t15-,18+,21+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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 cells after 3 hrs by scintillation counting


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50343624
PNG
(5alpha-17-Allyl-14-hydroxy-6-oxo-4,5-epoxymorphina...)
Show SMILES O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC=C)CC[C@@]235)ccc4OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r|
Show InChI InChI=1S/C50H64N2O8/c1-2-26-51-28-25-48-44-35-17-19-39(45(44)60-46(48)38(53)20-23-50(48,57)41(51)30-35)59-43(55)15-8-6-4-3-5-7-14-42(54)58-36-18-16-34-29-40-49(56)22-10-9-21-47(49,37(34)31-36)24-27-52(40)32-33-12-11-13-33/h2,16-19,31,33,40-41,46,56-57H,1,3-15,20-30,32H2/t40-,41-,46+,47+,48+,49-,50-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
35n/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 cells after 3 hrs by scintillation counting


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
38n/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 cells after 3 hrs by scintillation counting


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50343626
PNG
((5alpha)-17-Allyl-14-hydroxy-6-oxo-4,5-epoxymorphi...)
Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@H]5N(CC=C)CC[C@@]67[C@@H](Oc3c46)C(=O)CC[C@@]57O)cc12 |r,TLB:11:10:18.60.17:2|
Show InChI InChI=1S/C51H66N2O8/c1-3-27-52-29-26-49-45-36-18-20-40(46(45)61-47(49)39(54)21-24-50(49,57)41(52)31-36)60-44(56)16-9-7-5-4-6-8-15-43(55)59-37-19-17-35-30-42-51(58-2)23-11-10-22-48(51,38(35)32-37)25-28-53(42)33-34-13-12-14-34/h3,17-20,32,34,41-42,47,57H,1,4-16,21-31,33H2,2H3/t41-,42-,47+,48+,49+,50-,51-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
39n/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 cells after 3 hrs by scintillation counting


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50343623
PNG
((-)-3,30-(Decane-1,10-diaminothiazolo)bis(cyclopro...)
Show SMILES C(CCCCCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1)CCCCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:24:23:12.11.13:15|
Show InChI InChI=1S/C52H72N6S2/c1(3-5-11-23-53-49-55-43-31-41-37(29-47(43)59-49)27-45-39-13-7-9-19-51(39,41)21-25-57(45)33-35-15-16-35)2-4-6-12-24-54-50-56-44-32-42-38(30-48(44)60-50)28-46-40-14-8-10-20-52(40,42)22-26-58(46)34-36-17-18-36/h29-32,35-36,39-40,45-46H,1-28,33-34H2,(H,53,55)(H,54,56)/t39-,40-,45+,46+,51+,52+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
39n/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 cells after 3 hrs by scintillation counting


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50343630
PNG
(Bis((-)-3-aminothiazolo-N-cyclopropylmethylmorphin...)
Show SMILES O=C(CCCCCCCCC(=O)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:55:54:43.42.44:46|
Show InChI InChI=1S/C52H68N6O2S2/c59-47(55-49-53-41-29-39-35(27-45(41)61-49)25-43-37-11-7-9-19-51(37,39)21-23-57(43)31-33-15-16-33)13-5-3-1-2-4-6-14-48(60)56-50-54-42-30-40-36(28-46(42)62-50)26-44-38-12-8-10-20-52(38,40)22-24-58(44)32-34-17-18-34/h27-30,33-34,37-38,43-44H,1-26,31-32H2,(H,53,55,59)(H,54,56,60)/t37-,38-,43+,44+,51+,52+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
170n/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 cells after 3 hrs by scintillation counting


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50343625
PNG
((-)-17-N-Cyclobutylmethyl)morphinan-3-yl-(-)-14-hy...)
Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@@H]5[C@@H]6CCCC[C@]6(CCN5CC5CCC5)c4c3)cc12 |r,TLB:10:9:17.58.16:1|
Show InChI InChI=1S/C52H72N2O5/c55-48(58-41-22-20-39-31-46-43-17-7-8-24-50(43,44(39)33-41)27-29-53(46)35-37-13-11-14-37)18-5-3-1-2-4-6-19-49(56)59-42-23-21-40-32-47-52(57)26-10-9-25-51(52,45(40)34-42)28-30-54(47)36-38-15-12-16-38/h20-23,33-34,37-38,43,46-47,57H,1-19,24-32,35-36H2/t43-,46+,47+,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
n/an/a 3.40n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human mu-opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding after 60 mins b...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50343625
PNG
((-)-17-N-Cyclobutylmethyl)morphinan-3-yl-(-)-14-hy...)
Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@@H]5[C@@H]6CCCC[C@]6(CCN5CC5CCC5)c4c3)cc12 |r,TLB:10:9:17.58.16:1|
Show InChI InChI=1S/C52H72N2O5/c55-48(58-41-22-20-39-31-46-43-17-7-8-24-50(43,44(39)33-41)27-29-53(46)35-37-13-11-14-37)18-5-3-1-2-4-6-19-49(56)59-42-23-21-40-32-47-52(57)26-10-9-25-51(52,45(40)34-42)28-30-54(47)36-38-15-12-16-38/h20-23,33-34,37-38,43,46-47,57H,1-19,24-32,35-36H2/t43-,46+,47+,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
n/an/a 3.70n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa-opioid receptor expressed in CHO cells assessed as inhibition of U69593-induced [35S]GTPgammaS binding after 60 mi...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50343627
PNG
(Benzyl-(-)-14-methoxy-butorphanol-3-yl-decanedioat...)
Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)OCc3ccccc3)cc12 |r,TLB:11:10:18.44.17:2|
Show InChI InChI=1S/C39H53NO5/c1-43-39-23-12-11-22-38(39)24-25-40(28-30-16-13-17-30)35(39)26-32-20-21-33(27-34(32)38)45-37(42)19-10-5-3-2-4-9-18-36(41)44-29-31-14-7-6-8-15-31/h6-8,14-15,20-21,27,30,35H,2-5,9-13,16-19,22-26,28-29H2,1H3/t35-,38+,39-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.40n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa-opioid receptor expressed in CHO cells assessed as inhibition of U69593-induced [35S]GTPgammaS binding after 60 mi...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50343627
PNG
(Benzyl-(-)-14-methoxy-butorphanol-3-yl-decanedioat...)
Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)OCc3ccccc3)cc12 |r,TLB:11:10:18.44.17:2|
Show InChI InChI=1S/C39H53NO5/c1-43-39-23-12-11-22-38(39)24-25-40(28-30-16-13-17-30)35(39)26-32-20-21-33(27-34(32)38)45-37(42)19-10-5-3-2-4-9-18-36(41)44-29-31-14-7-6-8-15-31/h6-8,14-15,20-21,27,30,35H,2-5,9-13,16-19,22-26,28-29H2,1H3/t35-,38+,39-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.60n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human mu-opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding after 60 mins b...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50343626
PNG
((5alpha)-17-Allyl-14-hydroxy-6-oxo-4,5-epoxymorphi...)
Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@H]5N(CC=C)CC[C@@]67[C@@H](Oc3c46)C(=O)CC[C@@]57O)cc12 |r,TLB:11:10:18.60.17:2|
Show InChI InChI=1S/C51H66N2O8/c1-3-27-52-29-26-49-45-36-18-20-40(46(45)61-47(49)39(54)21-24-50(49,57)41(52)31-36)60-44(56)16-9-7-5-4-6-8-15-43(55)59-37-19-17-35-30-42-51(58-2)23-11-10-22-48(51,38(35)32-37)25-28-53(42)33-34-13-12-14-34/h3,17-20,32,34,41-42,47,57H,1,4-16,21-31,33H2,2H3/t41-,42-,47+,48+,49+,50-,51-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.70n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa-opioid receptor expressed in CHO cells assessed as inhibition of U69593-induced [35S]GTPgammaS binding after 60 mi...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50343629
PNG
((-)-14-Methoxybutorphanol | CHEMBL1774946)
Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(O)cc12 |r,TLB:11:10:17.24.18:2|
Show InChI InChI=1S/C22H31NO2/c1-25-22-10-3-2-9-21(22)11-12-23(15-16-5-4-6-16)20(22)13-17-7-8-18(24)14-19(17)21/h7-8,14,16,20,24H,2-6,9-13,15H2,1H3/t20-,21+,22-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 9.30n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human mu-opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding after 60 mins b...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50343628
PNG
(Bis((-)-14-methoxy-17-N-cyclobutylmethyl)morphinan...)
Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@H]5N(CC6CCC6)CC[C@@]6(CCCC[C@@]56OC)c4c3)cc12 |r,TLB:11:10:18.61.17:2|
Show InChI InChI=1S/C54H76N2O6/c1-59-53-27-11-9-25-51(53)29-31-55(37-39-15-13-16-39)47(53)33-41-21-23-43(35-45(41)51)61-49(57)19-7-5-3-4-6-8-20-50(58)62-44-24-22-42-34-48-54(60-2)28-12-10-26-52(54,46(42)36-44)30-32-56(48)38-40-17-14-18-40/h21-24,35-36,39-40,47-48H,3-20,25-34,37-38H2,1-2H3/t47-,48-,51+,52+,53-,54-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa-opioid receptor expressed in CHO cells assessed as inhibition of U69593-induced [35S]GTPgammaS binding after 60 mi...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50343626
PNG
((5alpha)-17-Allyl-14-hydroxy-6-oxo-4,5-epoxymorphi...)
Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@H]5N(CC=C)CC[C@@]67[C@@H](Oc3c46)C(=O)CC[C@@]57O)cc12 |r,TLB:11:10:18.60.17:2|
Show InChI InChI=1S/C51H66N2O8/c1-3-27-52-29-26-49-45-36-18-20-40(46(45)61-47(49)39(54)21-24-50(49,57)41(52)31-36)60-44(56)16-9-7-5-4-6-8-15-43(55)59-37-19-17-35-30-42-51(58-2)23-11-10-22-48(51,38(35)32-37)25-28-53(42)33-34-13-12-14-34/h3,17-20,32,34,41-42,47,57H,1,4-16,21-31,33H2,2H3/t41-,42-,47+,48+,49+,50-,51-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human mu-opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding after 60 mins b...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50343629
PNG
((-)-14-Methoxybutorphanol | CHEMBL1774946)
Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(O)cc12 |r,TLB:11:10:17.24.18:2|
Show InChI InChI=1S/C22H31NO2/c1-25-22-10-3-2-9-21(22)11-12-23(15-16-5-4-6-16)20(22)13-17-7-8-18(24)14-19(17)21/h7-8,14,16,20,24H,2-6,9-13,15H2,1H3/t20-,21+,22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa-opioid receptor expressed in CHO cells assessed as inhibition of U69593-induced [35S]GTPgammaS binding after 60 mi...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50343624
PNG
(5alpha-17-Allyl-14-hydroxy-6-oxo-4,5-epoxymorphina...)
Show SMILES O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC=C)CC[C@@]235)ccc4OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r|
Show InChI InChI=1S/C50H64N2O8/c1-2-26-51-28-25-48-44-35-17-19-39(45(44)60-46(48)38(53)20-23-50(48,57)41(51)30-35)59-43(55)15-8-6-4-3-5-7-14-42(54)58-36-18-16-34-29-40-49(56)22-10-9-21-47(49,37(34)31-36)24-27-52(40)32-33-12-11-13-33/h2,16-19,31,33,40-41,46,56-57H,1,3-15,20-30,32H2/t40-,41-,46+,47+,48+,49-,50-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human mu-opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding after 60 mins b...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50343624
PNG
(5alpha-17-Allyl-14-hydroxy-6-oxo-4,5-epoxymorphina...)
Show SMILES O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC=C)CC[C@@]235)ccc4OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r|
Show InChI InChI=1S/C50H64N2O8/c1-2-26-51-28-25-48-44-35-17-19-39(45(44)60-46(48)38(53)20-23-50(48,57)41(51)30-35)59-43(55)15-8-6-4-3-5-7-14-42(54)58-36-18-16-34-29-40-49(56)22-10-9-21-47(49,37(34)31-36)24-27-52(40)32-33-12-11-13-33/h2,16-19,31,33,40-41,46,56-57H,1,3-15,20-30,32H2/t40-,41-,46+,47+,48+,49-,50-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 49n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa-opioid receptor expressed in CHO cells assessed as inhibition of U69593-induced [35S]GTPgammaS binding after 60 mi...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50343628
PNG
(Bis((-)-14-methoxy-17-N-cyclobutylmethyl)morphinan...)
Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@H]5N(CC6CCC6)CC[C@@]6(CCCC[C@@]56OC)c4c3)cc12 |r,TLB:11:10:18.61.17:2|
Show InChI InChI=1S/C54H76N2O6/c1-59-53-27-11-9-25-51(53)29-31-55(37-39-15-13-16-39)47(53)33-41-21-23-43(35-45(41)51)61-49(57)19-7-5-3-4-6-8-20-50(58)62-44-24-22-42-34-48-54(60-2)28-12-10-26-52(54,46(42)36-44)30-32-56(48)38-40-17-14-18-40/h21-24,35-36,39-40,47-48H,3-20,25-34,37-38H2,1-2H3/t47-,48-,51+,52+,53-,54-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human mu-opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding after 60 mins b...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50343623
PNG
((-)-3,30-(Decane-1,10-diaminothiazolo)bis(cyclopro...)
Show SMILES C(CCCCCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1)CCCCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:24:23:12.11.13:15|
Show InChI InChI=1S/C52H72N6S2/c1(3-5-11-23-53-49-55-43-31-41-37(29-47(43)59-49)27-45-39-13-7-9-19-51(39,41)21-25-57(45)33-35-15-16-35)2-4-6-12-24-54-50-56-44-32-42-38(30-48(44)60-50)28-46-40-14-8-10-20-52(40,42)22-26-58(46)34-36-17-18-36/h29-32,35-36,39-40,45-46H,1-28,33-34H2,(H,53,55)(H,54,56)/t39-,40-,45+,46+,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
n/an/a 390n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human mu-opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding after 60 mins b...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50343629
PNG
((-)-14-Methoxybutorphanol | CHEMBL1774946)
Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(O)cc12 |r,TLB:11:10:17.24.18:2|
Show InChI InChI=1S/C22H31NO2/c1-25-22-10-3-2-9-21(22)11-12-23(15-16-5-4-6-16)20(22)13-17-7-8-18(24)14-19(17)21/h7-8,14,16,20,24H,2-6,9-13,15H2,1H3/t20-,21+,22-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 3.60n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu-opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillation ...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50343628
PNG
(Bis((-)-14-methoxy-17-N-cyclobutylmethyl)morphinan...)
Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@H]5N(CC6CCC6)CC[C@@]6(CCCC[C@@]56OC)c4c3)cc12 |r,TLB:11:10:18.61.17:2|
Show InChI InChI=1S/C54H76N2O6/c1-59-53-27-11-9-25-51(53)29-31-55(37-39-15-13-16-39)47(53)33-41-21-23-43(35-45(41)51)61-49(57)19-7-5-3-4-6-8-20-50(58)62-44-24-22-42-34-48-54(60-2)28-12-10-26-52(54,46(42)36-44)30-32-56(48)38-40-17-14-18-40/h21-24,35-36,39-40,47-48H,3-20,25-34,37-38H2,1-2H3/t47-,48-,51+,52+,53-,54-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu-opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillation ...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50343626
PNG
((5alpha)-17-Allyl-14-hydroxy-6-oxo-4,5-epoxymorphi...)
Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@H]5N(CC=C)CC[C@@]67[C@@H](Oc3c46)C(=O)CC[C@@]57O)cc12 |r,TLB:11:10:18.60.17:2|
Show InChI InChI=1S/C51H66N2O8/c1-3-27-52-29-26-49-45-36-18-20-40(46(45)61-47(49)39(54)21-24-50(49,57)41(52)31-36)60-44(56)16-9-7-5-4-6-8-15-43(55)59-37-19-17-35-30-42-51(58-2)23-11-10-22-48(51,38(35)32-37)25-28-53(42)33-34-13-12-14-34/h3,17-20,32,34,41-42,47,57H,1,4-16,21-31,33H2,2H3/t41-,42-,47+,48+,49+,50-,51-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa-opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillati...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50343624
PNG
(5alpha-17-Allyl-14-hydroxy-6-oxo-4,5-epoxymorphina...)
Show SMILES O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC=C)CC[C@@]235)ccc4OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r|
Show InChI InChI=1S/C50H64N2O8/c1-2-26-51-28-25-48-44-35-17-19-39(45(44)60-46(48)38(53)20-23-50(48,57)41(51)30-35)59-43(55)15-8-6-4-3-5-7-14-42(54)58-36-18-16-34-29-40-49(56)22-10-9-21-47(49,37(34)31-36)24-27-52(40)32-33-12-11-13-33/h2,16-19,31,33,40-41,46,56-57H,1,3-15,20-30,32H2/t40-,41-,46+,47+,48+,49-,50-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu-opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillation ...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50343630
PNG
(Bis((-)-3-aminothiazolo-N-cyclopropylmethylmorphin...)
Show SMILES O=C(CCCCCCCCC(=O)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:55:54:43.42.44:46|
Show InChI InChI=1S/C52H68N6O2S2/c59-47(55-49-53-41-29-39-35(27-45(41)61-49)25-43-37-11-7-9-19-51(37,39)21-23-57(43)31-33-15-16-33)13-5-3-1-2-4-6-14-48(60)56-50-54-42-30-40-36(28-46(42)62-50)26-44-38-12-8-10-20-52(38,40)22-24-58(44)32-34-17-18-34/h27-30,33-34,37-38,43-44H,1-26,31-32H2,(H,53,55,59)(H,54,56,60)/t37-,38-,43+,44+,51+,52+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.5n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa-opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillati...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50343625
PNG
((-)-17-N-Cyclobutylmethyl)morphinan-3-yl-(-)-14-hy...)
Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@@H]5[C@@H]6CCCC[C@]6(CCN5CC5CCC5)c4c3)cc12 |r,TLB:10:9:17.58.16:1|
Show InChI InChI=1S/C52H72N2O5/c55-48(58-41-22-20-39-31-46-43-17-7-8-24-50(43,44(39)33-41)27-29-53(46)35-37-13-11-14-37)18-5-3-1-2-4-6-19-49(56)59-42-23-21-40-32-47-52(57)26-10-9-25-51(52,45(40)34-42)28-30-54(47)36-38-15-12-16-38/h20-23,33-34,37-38,43,46-47,57H,1-19,24-32,35-36H2/t43-,46+,47+,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
n/an/an/an/a 0.840n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa-opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillati...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50343630
PNG
(Bis((-)-3-aminothiazolo-N-cyclopropylmethylmorphin...)
Show SMILES O=C(CCCCCCCCC(=O)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:55:54:43.42.44:46|
Show InChI InChI=1S/C52H68N6O2S2/c59-47(55-49-53-41-29-39-35(27-45(41)61-49)25-43-37-11-7-9-19-51(37,39)21-23-57(43)31-33-15-16-33)13-5-3-1-2-4-6-14-48(60)56-50-54-42-30-40-36(28-46(42)62-50)26-44-38-12-8-10-20-52(38,40)22-24-58(44)32-34-17-18-34/h27-30,33-34,37-38,43-44H,1-26,31-32H2,(H,53,55,59)(H,54,56,60)/t37-,38-,43+,44+,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
n/an/an/an/a 130n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu-opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillation ...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50343624
PNG
(5alpha-17-Allyl-14-hydroxy-6-oxo-4,5-epoxymorphina...)
Show SMILES O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC=C)CC[C@@]235)ccc4OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r|
Show InChI InChI=1S/C50H64N2O8/c1-2-26-51-28-25-48-44-35-17-19-39(45(44)60-46(48)38(53)20-23-50(48,57)41(51)30-35)59-43(55)15-8-6-4-3-5-7-14-42(54)58-36-18-16-34-29-40-49(56)22-10-9-21-47(49,37(34)31-36)24-27-52(40)32-33-12-11-13-33/h2,16-19,31,33,40-41,46,56-57H,1,3-15,20-30,32H2/t40-,41-,46+,47+,48+,49-,50-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa-opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillati...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50343625
PNG
((-)-17-N-Cyclobutylmethyl)morphinan-3-yl-(-)-14-hy...)
Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@@H]5[C@@H]6CCCC[C@]6(CCN5CC5CCC5)c4c3)cc12 |r,TLB:10:9:17.58.16:1|
Show InChI InChI=1S/C52H72N2O5/c55-48(58-41-22-20-39-31-46-43-17-7-8-24-50(43,44(39)33-41)27-29-53(46)35-37-13-11-14-37)18-5-3-1-2-4-6-19-49(56)59-42-23-21-40-32-47-52(57)26-10-9-25-51(52,45(40)34-42)28-30-54(47)36-38-15-12-16-38/h20-23,33-34,37-38,43,46-47,57H,1-19,24-32,35-36H2/t43-,46+,47+,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
n/an/an/an/a 1.20n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu-opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillation ...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50343623
PNG
((-)-3,30-(Decane-1,10-diaminothiazolo)bis(cyclopro...)
Show SMILES C(CCCCCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1)CCCCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:24:23:12.11.13:15|
Show InChI InChI=1S/C52H72N6S2/c1(3-5-11-23-53-49-55-43-31-41-37(29-47(43)59-49)27-45-39-13-7-9-19-51(39,41)21-25-57(45)33-35-15-16-35)2-4-6-12-24-54-50-56-44-32-42-38(30-48(44)60-50)28-46-40-14-8-10-20-52(40,42)22-26-58(46)34-36-17-18-36/h29-32,35-36,39-40,45-46H,1-28,33-34H2,(H,53,55)(H,54,56)/t39-,40-,45+,46+,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
n/an/an/an/a 22n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu-opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillation ...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50343627
PNG
(Benzyl-(-)-14-methoxy-butorphanol-3-yl-decanedioat...)
Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)OCc3ccccc3)cc12 |r,TLB:11:10:18.44.17:2|
Show InChI InChI=1S/C39H53NO5/c1-43-39-23-12-11-22-38(39)24-25-40(28-30-16-13-17-30)35(39)26-32-20-21-33(27-34(32)38)45-37(42)19-10-5-3-2-4-9-18-36(41)44-29-31-14-7-6-8-15-31/h6-8,14-15,20-21,27,30,35H,2-5,9-13,16-19,22-26,28-29H2,1H3/t35-,38+,39-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.70n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu-opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillation ...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50343623
PNG
((-)-3,30-(Decane-1,10-diaminothiazolo)bis(cyclopro...)
Show SMILES C(CCCCCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1)CCCCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:24:23:12.11.13:15|
Show InChI InChI=1S/C52H72N6S2/c1(3-5-11-23-53-49-55-43-31-41-37(29-47(43)59-49)27-45-39-13-7-9-19-51(39,41)21-25-57(45)33-35-15-16-35)2-4-6-12-24-54-50-56-44-32-42-38(30-48(44)60-50)28-46-40-14-8-10-20-52(40,42)22-26-58(46)34-36-17-18-36/h29-32,35-36,39-40,45-46H,1-28,33-34H2,(H,53,55)(H,54,56)/t39-,40-,45+,46+,51+,52+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa-opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillati...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50343627
PNG
(Benzyl-(-)-14-methoxy-butorphanol-3-yl-decanedioat...)
Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)OCc3ccccc3)cc12 |r,TLB:11:10:18.44.17:2|
Show InChI InChI=1S/C39H53NO5/c1-43-39-23-12-11-22-38(39)24-25-40(28-30-16-13-17-30)35(39)26-32-20-21-33(27-34(32)38)45-37(42)19-10-5-3-2-4-9-18-36(41)44-29-31-14-7-6-8-15-31/h6-8,14-15,20-21,27,30,35H,2-5,9-13,16-19,22-26,28-29H2,1H3/t35-,38+,39-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.10n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa-opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillati...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50343626
PNG
((5alpha)-17-Allyl-14-hydroxy-6-oxo-4,5-epoxymorphi...)
Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@H]5N(CC=C)CC[C@@]67[C@@H](Oc3c46)C(=O)CC[C@@]57O)cc12 |r,TLB:11:10:18.60.17:2|
Show InChI InChI=1S/C51H66N2O8/c1-3-27-52-29-26-49-45-36-18-20-40(46(45)61-47(49)39(54)21-24-50(49,57)41(52)31-36)60-44(56)16-9-7-5-4-6-8-15-43(55)59-37-19-17-35-30-42-51(58-2)23-11-10-22-48(51,38(35)32-37)25-28-53(42)33-34-13-12-14-34/h3,17-20,32,34,41-42,47,57H,1,4-16,21-31,33H2,2H3/t41-,42-,47+,48+,49+,50-,51-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu-opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillation ...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50343629
PNG
((-)-14-Methoxybutorphanol | CHEMBL1774946)
Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(O)cc12 |r,TLB:11:10:17.24.18:2|
Show InChI InChI=1S/C22H31NO2/c1-25-22-10-3-2-9-21(22)11-12-23(15-16-5-4-6-16)20(22)13-17-7-8-18(24)14-19(17)21/h7-8,14,16,20,24H,2-6,9-13,15H2,1H3/t20-,21+,22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 2.80n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa-opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillati...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50343628
PNG
(Bis((-)-14-methoxy-17-N-cyclobutylmethyl)morphinan...)
Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@H]5N(CC6CCC6)CC[C@@]6(CCCC[C@@]56OC)c4c3)cc12 |r,TLB:11:10:18.61.17:2|
Show InChI InChI=1S/C54H76N2O6/c1-59-53-27-11-9-25-51(53)29-31-55(37-39-15-13-16-39)47(53)33-41-21-23-43(35-45(41)51)61-49(57)19-7-5-3-4-6-8-20-50(58)62-44-24-22-42-34-48-54(60-2)28-12-10-26-52(54,46(42)36-44)30-32-56(48)38-40-17-14-18-40/h21-24,35-36,39-40,47-48H,3-20,25-34,37-38H2,1-2H3/t47-,48-,51+,52+,53-,54-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa-opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillati...


Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%