BindingDB logo
myBDB logout

PubMed code 24761755

Compile data set for download or QSAR
Found 76 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))
BDBM50015003
PNG
(CHEMBL3262089 | US9259422, 7a, R = Ph-BU127 | US94...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C31H37NO4/c1-28(34,21-6-4-3-5-7-21)23-17-29-12-13-31(23,35-2)27-30(29)14-15-32(18-19-8-9-19)24(29)16-20-10-11-22(33)26(36-27)25(20)30/h3-7,10-11,19,23-24,27,33-34H,8-9,12-18H2,1-2H3/t23-,24-,27-,28-,29-,30+,31-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
0.0440n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from recombinant human kappa opioid receptor expressed in CHO cells


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50354578
PNG
(BUPRENORPHINE | US9315514, Buprenorphine)
Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
0.0890n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from recombinant human kappa opioid receptor expressed in CHO cells


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50015009
PNG
(CHEMBL3262367 | US9259422, 7a, R = 3,5-diMePh- BU1...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)c1cc(C)cc(C)c1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C33H41NO4/c1-19-13-20(2)15-23(14-19)30(3,36)25-17-31-9-10-33(25,37-4)29-32(31)11-12-34(18-21-5-6-21)26(31)16-22-7-8-24(35)28(38-29)27(22)32/h7-8,13-15,21,25-26,29,35-36H,5-6,9-12,16-18H2,1-4H3/t25-,26-,29-,30-,31-,32+,33-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
0.100n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from recombinant human kappa opioid receptor expressed in CHO cells


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50354578
PNG
(BUPRENORPHINE | US9315514, Buprenorphine)
Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.130n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cells


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50015000
PNG
(CHEMBL3262377)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@](C)(O)c1ccncc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C30H36N2O4/c1-27(34,20-7-12-31-13-8-20)22-16-28-9-10-30(22,35-2)26-29(28)11-14-32(17-18-3-4-18)23(28)15-19-5-6-21(33)25(36-26)24(19)29/h5-8,12-13,18,22-23,26,33-34H,3-4,9-11,14-17H2,1-2H3/t22-,23-,26-,27+,28-,29+,30-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.160n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cells


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50015011
PNG
(CHEMBL3262363 | US9259422, 7a, 2-MePh- BU10101 | U...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)c1ccccc1C)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C32H39NO4/c1-19-6-4-5-7-22(19)29(2,35)24-17-30-12-13-32(24,36-3)28-31(30)14-15-33(18-20-8-9-20)25(30)16-21-10-11-23(34)27(37-28)26(21)31/h4-7,10-11,20,24-25,28,34-35H,8-9,12-18H2,1-3H3/t24-,25-,28-,29-,30-,31+,32-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.160n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from recombinant human kappa opioid receptor expressed in CHO cells


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50015003
PNG
(CHEMBL3262089 | US9259422, 7a, R = Ph-BU127 | US94...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C31H37NO4/c1-28(34,21-6-4-3-5-7-21)23-17-29-12-13-31(23,35-2)27-30(29)14-15-32(18-19-8-9-19)24(29)16-20-10-11-22(33)26(36-27)25(20)30/h3-7,10-11,19,23-24,27,33-34H,8-9,12-18H2,1-2H3/t23-,24-,27-,28-,29-,30+,31-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.170n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cells


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50015011
PNG
(CHEMBL3262363 | US9259422, 7a, 2-MePh- BU10101 | U...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)c1ccccc1C)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C32H39NO4/c1-19-6-4-5-7-22(19)29(2,35)24-17-30-12-13-32(24,36-3)28-31(30)14-15-33(18-20-8-9-20)25(30)16-21-10-11-23(34)27(37-28)26(21)31/h4-7,10-11,20,24-25,28,34-35H,8-9,12-18H2,1-3H3/t24-,25-,28-,29-,30-,31+,32-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.190n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cells


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50015009
PNG
(CHEMBL3262367 | US9259422, 7a, R = 3,5-diMePh- BU1...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)c1cc(C)cc(C)c1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C33H41NO4/c1-19-13-20(2)15-23(14-19)30(3,36)25-17-31-9-10-33(25,37-4)29-32(31)11-12-34(18-21-5-6-21)26(31)16-22-7-8-24(35)28(38-29)27(22)32/h7-8,13-15,21,25-26,29,35-36H,5-6,9-12,16-18H2,1-4H3/t25-,26-,29-,30-,31-,32+,33-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cells


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50015010
PNG
(CHEMBL3262091)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@](O)(CC)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C32H39NO4/c1-3-31(35,22-7-5-4-6-8-22)24-18-29-13-14-32(24,36-2)28-30(29)15-16-33(19-20-9-10-20)25(29)17-21-11-12-23(34)27(37-28)26(21)30/h4-8,11-12,20,24-25,28,34-35H,3,9-10,13-19H2,1-2H3/t24-,25-,28-,29-,30+,31-,32-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

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



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting anal...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50015000
PNG
(CHEMBL3262377)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@](C)(O)c1ccncc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C30H36N2O4/c1-27(34,20-7-12-31-13-8-20)22-16-28-9-10-30(22,35-2)26-29(28)11-14-32(17-18-3-4-18)23(28)15-19-5-6-21(33)25(36-26)24(19)29/h5-8,12-13,18,22-23,26,33-34H,3-4,9-11,14-17H2,1-2H3/t22-,23-,26-,27+,28-,29+,30-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.390n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from recombinant human kappa opioid receptor expressed in CHO cells


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50354578
PNG
(BUPRENORPHINE | US9315514, Buprenorphine)
Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29+/m1/s1
PDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.480n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta opioid receptor expressed in rat C6 cells


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50015003
PNG
(CHEMBL3262089 | US9259422, 7a, R = Ph-BU127 | US94...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C31H37NO4/c1-28(34,21-6-4-3-5-7-21)23-17-29-12-13-31(23,35-2)27-30(29)14-15-32(18-19-8-9-19)24(29)16-20-10-11-22(33)26(36-27)25(20)30/h3-7,10-11,19,23-24,27,33-34H,8-9,12-18H2,1-2H3/t23-,24-,27-,28-,29-,30+,31-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
0.490n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting anal...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50015007
PNG
(CHEMBL3262088)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@](O)(CC)C(C)(C)C)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C30H43NO4/c1-6-30(33,26(2,3)4)21-16-27-11-12-29(21,34-5)25-28(27)13-14-31(17-18-7-8-18)22(27)15-19-9-10-20(32)24(35-25)23(19)28/h9-10,18,21-22,25,32-33H,6-8,11-17H2,1-5H3/t21-,22+,25+,27+,28-,29+,30-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
0.560n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting anal...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50015004
PNG
(CHEMBL3262372 | US9259422, 7a, R = 2-thienyl- BU08...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)c1cccs1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C29H35NO4S/c1-26(32,22-4-3-13-35-22)20-15-27-9-10-29(20,33-2)25-28(27)11-12-30(16-17-5-6-17)21(27)14-18-7-8-19(31)24(34-25)23(18)28/h3-4,7-8,13,17,20-21,25,31-32H,5-6,9-12,14-16H2,1-2H3/t20-,21-,25-,26+,27-,28+,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cells


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50015003
PNG
(CHEMBL3262089 | US9259422, 7a, R = Ph-BU127 | US94...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C31H37NO4/c1-28(34,21-6-4-3-5-7-21)23-17-29-12-13-31(23,35-2)27-30(29)14-15-32(18-19-8-9-19)24(29)16-20-10-11-22(33)26(36-27)25(20)30/h3-7,10-11,19,23-24,27,33-34H,8-9,12-18H2,1-2H3/t23-,24-,27-,28-,29-,30+,31-/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
0.710n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analysis


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50015008
PNG
(CHEMBL3262362)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@@](O)(CC)C(C)(C)C)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.28,wD:29.34,7.7,17.38,c:37,THB:10:9:17:4.5.6,(9.21,-13.98,;9.22,-12.26,;7.63,-13.17,;6.17,-12.26,;6.92,-10.94,;6.17,-9.62,;6.92,-8.28,;8.42,-8.28,;9.75,-7.5,;8.46,-6.73,;9.24,-5.36,;10.78,-5.35,;12.11,-6.11,;12.1,-4.57,;7.67,-7.71,;7.67,-9.6,;8.46,-10.94,;9.24,-9.62,;10.78,-9.62,;11.56,-10.94,;12.33,-9.61,;13.1,-10.95,;13.87,-12.29,;13.88,-9.61,;13.11,-8.27,;14.67,-10.95,;15.45,-9.59,;15.45,-12.31,;16.24,-10.95,;10.76,-12.28,;11.53,-13.63,;10.74,-14.97,;9.47,-11.48,;10.58,-10.39,;4.63,-9.62,;3.84,-10.94,;4.63,-12.26,;3.83,-13.62,)|
Show InChI InChI=1S/C30H41NO4/c1-6-30(33,26(2,3)4)21-16-27-11-12-29(21,34-5)25-28(27)13-14-31(17-18-7-8-18)22(27)15-19-9-10-20(32)24(35-25)23(19)28/h9-12,18,21-22,25,32-33H,6-8,13-17H2,1-5H3/t21-,22+,25+,27+,28-,29+,30-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
0.75n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting anal...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50015010
PNG
(CHEMBL3262091)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@](O)(CC)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C32H39NO4/c1-3-31(35,22-7-5-4-6-8-22)24-18-29-13-14-32(24,36-2)28-30(29)15-16-33(19-20-9-10-20)25(29)17-21-11-12-23(34)27(37-28)26(21)30/h4-8,11-12,20,24-25,28,34-35H,3,9-10,13-19H2,1-2H3/t24-,25-,28-,29-,30+,31-,32-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from human delta opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analys...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50015006
PNG
(CHEMBL3262360)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@@H](O)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,wD:29.35,7.7,17.39,21.26,c:38,THB:10:9:17:4.5.6,(9.21,-13.98,;9.22,-12.26,;7.63,-13.17,;6.17,-12.26,;6.92,-10.94,;6.17,-9.62,;6.92,-8.28,;8.42,-8.28,;9.75,-7.5,;8.46,-6.73,;9.24,-5.36,;10.78,-5.35,;12.11,-6.11,;12.1,-4.57,;7.67,-7.71,;7.67,-9.6,;8.46,-10.94,;9.24,-9.62,;10.78,-9.62,;11.56,-10.94,;12.33,-9.61,;13.1,-10.95,;13.86,-12.29,;13.88,-9.61,;15.44,-9.63,;16.22,-8.29,;15.45,-6.93,;13.88,-6.93,;13.11,-8.27,;10.76,-12.28,;11.53,-13.63,;10.74,-14.97,;9.47,-11.48,;10.58,-10.39,;4.63,-9.62,;3.84,-10.94,;4.63,-12.26,;3.83,-13.62,)|
Show InChI InChI=1S/C30H33NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-12,18,21,23,25,27,32-33H,7-8,13-17H2,1H3/t21-,23-,25+,27-,28-,29+,30-/m1/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mu opioid receptor in Hartley guinea pig brain membranes after 60 mins by beta-plate liquid scintillation counting an...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50015001
PNG
(CHEMBL3262092)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@H](O)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C30H35NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-10,18,21,23,25,27,32-33H,7-8,11-17H2,1H3/t21-,23-,25+,27-,28-,29+,30-/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



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analysis


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50015007
PNG
(CHEMBL3262088)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@](O)(CC)C(C)(C)C)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C30H43NO4/c1-6-30(33,26(2,3)4)21-16-27-11-12-29(21,34-5)25-28(27)13-14-31(17-18-7-8-18)22(27)15-19-9-10-20(32)24(35-25)23(19)28/h9-10,18,21-22,25,32-33H,6-8,11-17H2,1-5H3/t21-,22+,25+,27+,28-,29+,30-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
0.860n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from human delta opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analys...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50015001
PNG
(CHEMBL3262092)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@H](O)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C30H35NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-10,18,21,23,25,27,32-33H,7-8,11-17H2,1H3/t21-,23-,25+,27-,28-,29+,30-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.880n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting anal...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50014998
PNG
(CHEMBL3262361)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@@](O)(CC)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.28,wD:31.37,7.7,17.41,c:40,THB:10:9:17:4.5.6,(9.2,-13.96,;9.21,-12.24,;7.62,-13.15,;6.17,-12.24,;6.91,-10.92,;6.17,-9.6,;6.91,-8.27,;8.41,-8.27,;9.74,-7.49,;8.45,-6.72,;9.22,-5.36,;10.76,-5.34,;12.1,-6.1,;12.08,-4.57,;7.66,-7.7,;7.66,-9.59,;8.45,-10.92,;9.23,-9.6,;10.76,-9.6,;11.54,-10.93,;12.31,-9.6,;13.08,-10.94,;13.84,-12.27,;14.64,-10.94,;15.43,-12.3,;13.86,-9.6,;15.41,-9.61,;16.19,-8.27,;15.42,-6.92,;13.86,-6.92,;13.09,-8.26,;10.75,-12.26,;11.51,-13.61,;10.73,-14.94,;9.46,-11.46,;10.56,-10.37,;4.62,-9.6,;3.84,-10.92,;4.62,-12.24,;3.82,-13.6,)|
Show InChI InChI=1S/C32H37NO4/c1-3-31(35,22-7-5-4-6-8-22)24-18-29-13-14-32(24,36-2)28-30(29)15-16-33(19-20-9-10-20)25(29)17-21-11-12-23(34)27(37-28)26(21)30/h4-8,11-14,20,24-25,28,34-35H,3,9-10,15-19H2,1-2H3/t24-,25-,28-,29-,30+,31-,32-/m1/s1
PDB

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



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting anal...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50015000
PNG
(CHEMBL3262377)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@](C)(O)c1ccncc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C30H36N2O4/c1-27(34,20-7-12-31-13-8-20)22-16-28-9-10-30(22,35-2)26-29(28)11-14-32(17-18-3-4-18)23(28)15-19-5-6-21(33)25(36-26)24(19)29/h5-8,12-13,18,22-23,26,33-34H,3-4,9-11,14-17H2,1-2H3/t22-,23-,26-,27+,28-,29+,30-/m1/s1
PDB

Reactome pathway
KEGG

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



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta opioid receptor expressed in rat C6 cells


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50015010
PNG
(CHEMBL3262091)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@](O)(CC)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C32H39NO4/c1-3-31(35,22-7-5-4-6-8-22)24-18-29-13-14-32(24,36-2)28-30(29)15-16-33(19-20-9-10-20)25(29)17-21-11-12-23(34)27(37-28)26(21)30/h4-8,11-12,20,24-25,28,34-35H,3,9-10,13-19H2,1-2H3/t24-,25-,28-,29-,30+,31-,32-/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
1n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analysis


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50015004
PNG
(CHEMBL3262372 | US9259422, 7a, R = 2-thienyl- BU08...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)c1cccs1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C29H35NO4S/c1-26(32,22-4-3-13-35-22)20-15-27-9-10-29(20,33-2)25-28(27)11-12-30(16-17-5-6-17)21(27)14-18-7-8-19(31)24(34-25)23(18)28/h3-4,7-8,13,17,20-21,25,31-32H,5-6,9-12,14-16H2,1-2H3/t20-,21-,25-,26+,27-,28+,29-/m1/s1
PDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta opioid receptor expressed in rat C6 cells


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50014998
PNG
(CHEMBL3262361)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@@](O)(CC)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.28,wD:31.37,7.7,17.41,c:40,THB:10:9:17:4.5.6,(9.2,-13.96,;9.21,-12.24,;7.62,-13.15,;6.17,-12.24,;6.91,-10.92,;6.17,-9.6,;6.91,-8.27,;8.41,-8.27,;9.74,-7.49,;8.45,-6.72,;9.22,-5.36,;10.76,-5.34,;12.1,-6.1,;12.08,-4.57,;7.66,-7.7,;7.66,-9.59,;8.45,-10.92,;9.23,-9.6,;10.76,-9.6,;11.54,-10.93,;12.31,-9.6,;13.08,-10.94,;13.84,-12.27,;14.64,-10.94,;15.43,-12.3,;13.86,-9.6,;15.41,-9.61,;16.19,-8.27,;15.42,-6.92,;13.86,-6.92,;13.09,-8.26,;10.75,-12.26,;11.51,-13.61,;10.73,-14.94,;9.46,-11.46,;10.56,-10.37,;4.62,-9.6,;3.84,-10.92,;4.62,-12.24,;3.82,-13.6,)|
Show InChI InChI=1S/C32H37NO4/c1-3-31(35,22-7-5-4-6-8-22)24-18-29-13-14-32(24,36-2)28-30(29)15-16-33(19-20-9-10-20)25(29)17-21-11-12-23(34)27(37-28)26(21)30/h4-8,11-14,20,24-25,28,34-35H,3,9-10,15-19H2,1-2H3/t24-,25-,28-,29-,30+,31-,32-/m1/s1
PDB

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



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from human delta opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analys...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50015008
PNG
(CHEMBL3262362)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@@](O)(CC)C(C)(C)C)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.28,wD:29.34,7.7,17.38,c:37,THB:10:9:17:4.5.6,(9.21,-13.98,;9.22,-12.26,;7.63,-13.17,;6.17,-12.26,;6.92,-10.94,;6.17,-9.62,;6.92,-8.28,;8.42,-8.28,;9.75,-7.5,;8.46,-6.73,;9.24,-5.36,;10.78,-5.35,;12.11,-6.11,;12.1,-4.57,;7.67,-7.71,;7.67,-9.6,;8.46,-10.94,;9.24,-9.62,;10.78,-9.62,;11.56,-10.94,;12.33,-9.61,;13.1,-10.95,;13.87,-12.29,;13.88,-9.61,;13.11,-8.27,;14.67,-10.95,;15.45,-9.59,;15.45,-12.31,;16.24,-10.95,;10.76,-12.28,;11.53,-13.63,;10.74,-14.97,;9.47,-11.48,;10.58,-10.39,;4.63,-9.62,;3.84,-10.94,;4.63,-12.26,;3.83,-13.62,)|
Show InChI InChI=1S/C30H41NO4/c1-6-30(33,26(2,3)4)21-16-27-11-12-29(21,34-5)25-28(27)13-14-31(17-18-7-8-18)22(27)15-19-9-10-20(32)24(35-25)23(19)28/h9-12,18,21-22,25,32-33H,6-8,13-17H2,1-5H3/t21-,22+,25+,27+,28-,29+,30-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
1.20n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from human delta opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analys...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50014995
PNG
(CHEMBL3262090 | US9259422, 13a, R = Ph-BU126 | US9...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@H](O)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C30H35NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-10,18,21,23,25,27,32-33H,7-8,11-17H2,1H3/t21-,23-,25-,27-,28-,29+,30-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.30n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analysis


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50015001
PNG
(CHEMBL3262092)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@H](O)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C30H35NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-10,18,21,23,25,27,32-33H,7-8,11-17H2,1H3/t21-,23-,25+,27-,28-,29+,30-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.30n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from human delta opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analys...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50015006
PNG
(CHEMBL3262360)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@@H](O)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,wD:29.35,7.7,17.39,21.26,c:38,THB:10:9:17:4.5.6,(9.21,-13.98,;9.22,-12.26,;7.63,-13.17,;6.17,-12.26,;6.92,-10.94,;6.17,-9.62,;6.92,-8.28,;8.42,-8.28,;9.75,-7.5,;8.46,-6.73,;9.24,-5.36,;10.78,-5.35,;12.11,-6.11,;12.1,-4.57,;7.67,-7.71,;7.67,-9.6,;8.46,-10.94,;9.24,-9.62,;10.78,-9.62,;11.56,-10.94,;12.33,-9.61,;13.1,-10.95,;13.86,-12.29,;13.88,-9.61,;15.44,-9.63,;16.22,-8.29,;15.45,-6.93,;13.88,-6.93,;13.11,-8.27,;10.76,-12.28,;11.53,-13.63,;10.74,-14.97,;9.47,-11.48,;10.58,-10.39,;4.63,-9.62,;3.84,-10.94,;4.63,-12.26,;3.83,-13.62,)|
Show InChI InChI=1S/C30H33NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-12,18,21,23,25,27,32-33H,7-8,13-17H2,1H3/t21-,23-,25+,27-,28-,29+,30-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from kappa opioid receptor in Hartley guinea pig brain membranes after 60 mins by beta-plate liquid scintillation counti...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50354578
PNG
(BUPRENORPHINE | US9315514, Buprenorphine)
Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29+/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

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



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analysis


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50015003
PNG
(CHEMBL3262089 | US9259422, 7a, R = Ph-BU127 | US94...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C31H37NO4/c1-28(34,21-6-4-3-5-7-21)23-17-29-12-13-31(23,35-2)27-30(29)14-15-32(18-19-8-9-19)24(29)16-20-10-11-22(33)26(36-27)25(20)30/h3-7,10-11,19,23-24,27,33-34H,8-9,12-18H2,1-2H3/t23-,24-,27-,28-,29-,30+,31-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
1.90n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from human delta opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analys...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50354578
PNG
(BUPRENORPHINE | US9315514, Buprenorphine)
Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
2.5n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting anal...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50014995
PNG
(CHEMBL3262090 | US9259422, 13a, R = Ph-BU126 | US9...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@H](O)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C30H35NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-10,18,21,23,25,27,32-33H,7-8,11-17H2,1H3/t21-,23-,25-,27-,28-,29+,30-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.60n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from human delta opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analys...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50015004
PNG
(CHEMBL3262372 | US9259422, 7a, R = 2-thienyl- BU08...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)c1cccs1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C29H35NO4S/c1-26(32,22-4-3-13-35-22)20-15-27-9-10-29(20,33-2)25-28(27)11-12-30(16-17-5-6-17)21(27)14-18-7-8-19(31)24(34-25)23(18)28/h3-4,7-8,13,17,20-21,25,31-32H,5-6,9-12,14-16H2,1-2H3/t20-,21-,25-,26+,27-,28+,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.80n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from recombinant human kappa opioid receptor expressed in CHO cells


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50015005
PNG
(CHEMBL3262093 | US9259422, 13b, R = Ph-BU125 | US9...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@H](O)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.26,wD:29.35,7.7,17.39,c:38,THB:10:9:17:4.5.6,(9.21,-13.98,;9.22,-12.26,;7.63,-13.17,;6.17,-12.26,;6.92,-10.94,;6.17,-9.62,;6.92,-8.28,;8.42,-8.28,;9.75,-7.5,;8.46,-6.73,;9.24,-5.36,;10.78,-5.35,;12.11,-6.11,;12.1,-4.57,;7.67,-7.71,;7.67,-9.6,;8.46,-10.94,;9.24,-9.62,;10.78,-9.62,;11.56,-10.94,;12.33,-9.61,;13.1,-10.95,;13.86,-12.29,;13.88,-9.61,;15.44,-9.63,;16.22,-8.29,;15.45,-6.93,;13.88,-6.93,;13.11,-8.27,;10.76,-12.28,;11.53,-13.63,;10.74,-14.97,;9.47,-11.48,;10.58,-10.39,;4.63,-9.62,;3.84,-10.94,;4.63,-12.26,;3.83,-13.62,)|
Show InChI InChI=1S/C30H33NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-12,18,21,23,25,27,32-33H,7-8,13-17H2,1H3/t21-,23-,25-,27-,28-,29+,30-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
3.20n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from human delta opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analys...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50014998
PNG
(CHEMBL3262361)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@@](O)(CC)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.28,wD:31.37,7.7,17.41,c:40,THB:10:9:17:4.5.6,(9.2,-13.96,;9.21,-12.24,;7.62,-13.15,;6.17,-12.24,;6.91,-10.92,;6.17,-9.6,;6.91,-8.27,;8.41,-8.27,;9.74,-7.49,;8.45,-6.72,;9.22,-5.36,;10.76,-5.34,;12.1,-6.1,;12.08,-4.57,;7.66,-7.7,;7.66,-9.59,;8.45,-10.92,;9.23,-9.6,;10.76,-9.6,;11.54,-10.93,;12.31,-9.6,;13.08,-10.94,;13.84,-12.27,;14.64,-10.94,;15.43,-12.3,;13.86,-9.6,;15.41,-9.61,;16.19,-8.27,;15.42,-6.92,;13.86,-6.92,;13.09,-8.26,;10.75,-12.26,;11.51,-13.61,;10.73,-14.94,;9.46,-11.46,;10.56,-10.37,;4.62,-9.6,;3.84,-10.92,;4.62,-12.24,;3.82,-13.6,)|
Show InChI InChI=1S/C32H37NO4/c1-3-31(35,22-7-5-4-6-8-22)24-18-29-13-14-32(24,36-2)28-30(29)15-16-33(19-20-9-10-20)25(29)17-21-11-12-23(34)27(37-28)26(21)30/h4-8,11-14,20,24-25,28,34-35H,3,9-10,15-19H2,1-2H3/t24-,25-,28-,29-,30+,31-,32-/m1/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



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analysis


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50015005
PNG
(CHEMBL3262093 | US9259422, 13b, R = Ph-BU125 | US9...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@H](O)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.26,wD:29.35,7.7,17.39,c:38,THB:10:9:17:4.5.6,(9.21,-13.98,;9.22,-12.26,;7.63,-13.17,;6.17,-12.26,;6.92,-10.94,;6.17,-9.62,;6.92,-8.28,;8.42,-8.28,;9.75,-7.5,;8.46,-6.73,;9.24,-5.36,;10.78,-5.35,;12.11,-6.11,;12.1,-4.57,;7.67,-7.71,;7.67,-9.6,;8.46,-10.94,;9.24,-9.62,;10.78,-9.62,;11.56,-10.94,;12.33,-9.61,;13.1,-10.95,;13.86,-12.29,;13.88,-9.61,;15.44,-9.63,;16.22,-8.29,;15.45,-6.93,;13.88,-6.93,;13.11,-8.27,;10.76,-12.28,;11.53,-13.63,;10.74,-14.97,;9.47,-11.48,;10.58,-10.39,;4.63,-9.62,;3.84,-10.94,;4.63,-12.26,;3.83,-13.62,)|
Show InChI InChI=1S/C30H33NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-12,18,21,23,25,27,32-33H,7-8,13-17H2,1H3/t21-,23-,25-,27-,28-,29+,30-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
3.80n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting anal...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50015005
PNG
(CHEMBL3262093 | US9259422, 13b, R = Ph-BU125 | US9...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@H](O)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.26,wD:29.35,7.7,17.39,c:38,THB:10:9:17:4.5.6,(9.21,-13.98,;9.22,-12.26,;7.63,-13.17,;6.17,-12.26,;6.92,-10.94,;6.17,-9.62,;6.92,-8.28,;8.42,-8.28,;9.75,-7.5,;8.46,-6.73,;9.24,-5.36,;10.78,-5.35,;12.11,-6.11,;12.1,-4.57,;7.67,-7.71,;7.67,-9.6,;8.46,-10.94,;9.24,-9.62,;10.78,-9.62,;11.56,-10.94,;12.33,-9.61,;13.1,-10.95,;13.86,-12.29,;13.88,-9.61,;15.44,-9.63,;16.22,-8.29,;15.45,-6.93,;13.88,-6.93,;13.11,-8.27,;10.76,-12.28,;11.53,-13.63,;10.74,-14.97,;9.47,-11.48,;10.58,-10.39,;4.63,-9.62,;3.84,-10.94,;4.63,-12.26,;3.83,-13.62,)|
Show InChI InChI=1S/C30H33NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-12,18,21,23,25,27,32-33H,7-8,13-17H2,1H3/t21-,23-,25-,27-,28-,29+,30-/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
4n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analysis


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50015007
PNG
(CHEMBL3262088)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@](O)(CC)C(C)(C)C)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C30H43NO4/c1-6-30(33,26(2,3)4)21-16-27-11-12-29(21,34-5)25-28(27)13-14-31(17-18-7-8-18)22(27)15-19-9-10-20(32)24(35-25)23(19)28/h9-10,18,21-22,25,32-33H,6-8,11-17H2,1-5H3/t21-,22+,25+,27+,28-,29+,30-/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
4n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analysis


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50015008
PNG
(CHEMBL3262362)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@@](O)(CC)C(C)(C)C)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.28,wD:29.34,7.7,17.38,c:37,THB:10:9:17:4.5.6,(9.21,-13.98,;9.22,-12.26,;7.63,-13.17,;6.17,-12.26,;6.92,-10.94,;6.17,-9.62,;6.92,-8.28,;8.42,-8.28,;9.75,-7.5,;8.46,-6.73,;9.24,-5.36,;10.78,-5.35,;12.11,-6.11,;12.1,-4.57,;7.67,-7.71,;7.67,-9.6,;8.46,-10.94,;9.24,-9.62,;10.78,-9.62,;11.56,-10.94,;12.33,-9.61,;13.1,-10.95,;13.87,-12.29,;13.88,-9.61,;13.11,-8.27,;14.67,-10.95,;15.45,-9.59,;15.45,-12.31,;16.24,-10.95,;10.76,-12.28,;11.53,-13.63,;10.74,-14.97,;9.47,-11.48,;10.58,-10.39,;4.63,-9.62,;3.84,-10.94,;4.63,-12.26,;3.83,-13.62,)|
Show InChI InChI=1S/C30H41NO4/c1-6-30(33,26(2,3)4)21-16-27-11-12-29(21,34-5)25-28(27)13-14-31(17-18-7-8-18)22(27)15-19-9-10-20(32)24(35-25)23(19)28/h9-12,18,21-22,25,32-33H,6-8,13-17H2,1-5H3/t21-,22+,25+,27+,28-,29+,30-/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
4.20n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analysis


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50014995
PNG
(CHEMBL3262090 | US9259422, 13a, R = Ph-BU126 | US9...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@H](O)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C30H35NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-10,18,21,23,25,27,32-33H,7-8,11-17H2,1H3/t21-,23-,25-,27-,28-,29+,30-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.40n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting anal...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50354578
PNG
(BUPRENORPHINE | US9315514, Buprenorphine)
Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
6.10n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from human delta opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analys...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50015003
PNG
(CHEMBL3262089 | US9259422, 7a, R = Ph-BU127 | US94...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C31H37NO4/c1-28(34,21-6-4-3-5-7-21)23-17-29-12-13-31(23,35-2)27-30(29)14-15-32(18-19-8-9-19)24(29)16-20-10-11-22(33)26(36-27)25(20)30/h3-7,10-11,19,23-24,27,33-34H,8-9,12-18H2,1-2H3/t23-,24-,27-,28-,29-,30+,31-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

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



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-N/OFQ from recombinant nociceptin opioid receptor (unknown origin) expressed in HEK cells


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50015004
PNG
(CHEMBL3262372 | US9259422, 7a, R = 2-thienyl- BU08...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)c1cccs1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C29H35NO4S/c1-26(32,22-4-3-13-35-22)20-15-27-9-10-29(20,33-2)25-28(27)11-12-30(16-17-5-6-17)21(27)14-18-7-8-19(31)24(34-25)23(18)28/h3-4,7-8,13,17,20-21,25,31-32H,5-6,9-12,14-16H2,1-2H3/t20-,21-,25-,26+,27-,28+,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
75n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-N/OFQ from recombinant nociceptin opioid receptor (unknown origin) expressed in HEK cells


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50354578
PNG
(BUPRENORPHINE | US9315514, Buprenorphine)
Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
77n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-N/OFQ from human nociceptin opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting a...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50015007
PNG
(CHEMBL3262088)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@](O)(CC)C(C)(C)C)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C30H43NO4/c1-6-30(33,26(2,3)4)21-16-27-11-12-29(21,34-5)25-28(27)13-14-31(17-18-7-8-18)22(27)15-19-9-10-20(32)24(35-25)23(19)28/h9-10,18,21-22,25,32-33H,6-8,11-17H2,1-5H3/t21-,22+,25+,27+,28-,29+,30-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
105n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-N/OFQ from human nociceptin opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting a...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50015008
PNG
(CHEMBL3262362)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@@](O)(CC)C(C)(C)C)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.28,wD:29.34,7.7,17.38,c:37,THB:10:9:17:4.5.6,(9.21,-13.98,;9.22,-12.26,;7.63,-13.17,;6.17,-12.26,;6.92,-10.94,;6.17,-9.62,;6.92,-8.28,;8.42,-8.28,;9.75,-7.5,;8.46,-6.73,;9.24,-5.36,;10.78,-5.35,;12.11,-6.11,;12.1,-4.57,;7.67,-7.71,;7.67,-9.6,;8.46,-10.94,;9.24,-9.62,;10.78,-9.62,;11.56,-10.94,;12.33,-9.61,;13.1,-10.95,;13.87,-12.29,;13.88,-9.61,;13.11,-8.27,;14.67,-10.95,;15.45,-9.59,;15.45,-12.31,;16.24,-10.95,;10.76,-12.28,;11.53,-13.63,;10.74,-14.97,;9.47,-11.48,;10.58,-10.39,;4.63,-9.62,;3.84,-10.94,;4.63,-12.26,;3.83,-13.62,)|
Show InChI InChI=1S/C30H41NO4/c1-6-30(33,26(2,3)4)21-16-27-11-12-29(21,34-5)25-28(27)13-14-31(17-18-7-8-18)22(27)15-19-9-10-20(32)24(35-25)23(19)28/h9-12,18,21-22,25,32-33H,6-8,13-17H2,1-5H3/t21-,22+,25+,27+,28-,29+,30-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
187n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-N/OFQ from human nociceptin opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting a...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50014998
PNG
(CHEMBL3262361)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@@](O)(CC)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.28,wD:31.37,7.7,17.41,c:40,THB:10:9:17:4.5.6,(9.2,-13.96,;9.21,-12.24,;7.62,-13.15,;6.17,-12.24,;6.91,-10.92,;6.17,-9.6,;6.91,-8.27,;8.41,-8.27,;9.74,-7.49,;8.45,-6.72,;9.22,-5.36,;10.76,-5.34,;12.1,-6.1,;12.08,-4.57,;7.66,-7.7,;7.66,-9.59,;8.45,-10.92,;9.23,-9.6,;10.76,-9.6,;11.54,-10.93,;12.31,-9.6,;13.08,-10.94,;13.84,-12.27,;14.64,-10.94,;15.43,-12.3,;13.86,-9.6,;15.41,-9.61,;16.19,-8.27,;15.42,-6.92,;13.86,-6.92,;13.09,-8.26,;10.75,-12.26,;11.51,-13.61,;10.73,-14.94,;9.46,-11.46,;10.56,-10.37,;4.62,-9.6,;3.84,-10.92,;4.62,-12.24,;3.82,-13.6,)|
Show InChI InChI=1S/C32H37NO4/c1-3-31(35,22-7-5-4-6-8-22)24-18-29-13-14-32(24,36-2)28-30(29)15-16-33(19-20-9-10-20)25(29)17-21-11-12-23(34)27(37-28)26(21)30/h4-8,11-14,20,24-25,28,34-35H,3,9-10,15-19H2,1-2H3/t24-,25-,28-,29-,30+,31-,32-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
197n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-N/OFQ from human nociceptin opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting a...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50354578
PNG
(BUPRENORPHINE | US9315514, Buprenorphine)
Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
212n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-N/OFQ from recombinant nociceptin opioid receptor (unknown origin) expressed in HEK cells


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50015010
PNG
(CHEMBL3262091)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@](O)(CC)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C32H39NO4/c1-3-31(35,22-7-5-4-6-8-22)24-18-29-13-14-32(24,36-2)28-30(29)15-16-33(19-20-9-10-20)25(29)17-21-11-12-23(34)27(37-28)26(21)30/h4-8,11-12,20,24-25,28,34-35H,3,9-10,13-19H2,1-2H3/t24-,25-,28-,29-,30+,31-,32-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
396n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-N/OFQ from human nociceptin opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting a...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50015000
PNG
(CHEMBL3262377)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@](C)(O)c1ccncc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C30H36N2O4/c1-27(34,20-7-12-31-13-8-20)22-16-28-9-10-30(22,35-2)26-29(28)11-14-32(17-18-3-4-18)23(28)15-19-5-6-21(33)25(36-26)24(19)29/h5-8,12-13,18,22-23,26,33-34H,3-4,9-11,14-17H2,1-2H3/t22-,23-,26-,27+,28-,29+,30-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.63E+3n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-N/OFQ from recombinant nociceptin opioid receptor (unknown origin) expressed in HEK cells


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50015010
PNG
(CHEMBL3262091)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@](O)(CC)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C32H39NO4/c1-3-31(35,22-7-5-4-6-8-22)24-18-29-13-14-32(24,36-2)28-30(29)15-16-33(19-20-9-10-20)25(29)17-21-11-12-23(34)27(37-28)26(21)30/h4-8,11-12,20,24-25,28,34-35H,3,9-10,13-19H2,1-2H3/t24-,25-,28-,29-,30+,31-,32-/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 249n/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50014995
PNG
(CHEMBL3262090 | US9259422, 13a, R = Ph-BU126 | US9...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@H](O)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C30H35NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-10,18,21,23,25,27,32-33H,7-8,11-17H2,1H3/t21-,23-,25-,27-,28-,29+,30-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.10n/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50015008
PNG
(CHEMBL3262362)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@@](O)(CC)C(C)(C)C)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.28,wD:29.34,7.7,17.38,c:37,THB:10:9:17:4.5.6,(9.21,-13.98,;9.22,-12.26,;7.63,-13.17,;6.17,-12.26,;6.92,-10.94,;6.17,-9.62,;6.92,-8.28,;8.42,-8.28,;9.75,-7.5,;8.46,-6.73,;9.24,-5.36,;10.78,-5.35,;12.11,-6.11,;12.1,-4.57,;7.67,-7.71,;7.67,-9.6,;8.46,-10.94,;9.24,-9.62,;10.78,-9.62,;11.56,-10.94,;12.33,-9.61,;13.1,-10.95,;13.87,-12.29,;13.88,-9.61,;13.11,-8.27,;14.67,-10.95,;15.45,-9.59,;15.45,-12.31,;16.24,-10.95,;10.76,-12.28,;11.53,-13.63,;10.74,-14.97,;9.47,-11.48,;10.58,-10.39,;4.63,-9.62,;3.84,-10.94,;4.63,-12.26,;3.83,-13.62,)|
Show InChI InChI=1S/C30H41NO4/c1-6-30(33,26(2,3)4)21-16-27-11-12-29(21,34-5)25-28(27)13-14-31(17-18-7-8-18)22(27)15-19-9-10-20(32)24(35-25)23(19)28/h9-12,18,21-22,25,32-33H,6-8,13-17H2,1-5H3/t21-,22+,25+,27+,28-,29+,30-/m0/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 314n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by beta-plat...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50015007
PNG
(CHEMBL3262088)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@](O)(CC)C(C)(C)C)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C30H43NO4/c1-6-30(33,26(2,3)4)21-16-27-11-12-29(21,34-5)25-28(27)13-14-31(17-18-7-8-18)22(27)15-19-9-10-20(32)24(35-25)23(19)28/h9-10,18,21-22,25,32-33H,6-8,11-17H2,1-5H3/t21-,22+,25+,27+,28-,29+,30-/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
n/an/an/an/a 50n/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50015010
PNG
(CHEMBL3262091)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@](O)(CC)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C32H39NO4/c1-3-31(35,22-7-5-4-6-8-22)24-18-29-13-14-32(24,36-2)28-30(29)15-16-33(19-20-9-10-20)25(29)17-21-11-12-23(34)27(37-28)26(21)30/h4-8,11-12,20,24-25,28,34-35H,3,9-10,13-19H2,1-2H3/t24-,25-,28-,29-,30+,31-,32-/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 8.90n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by beta-plat...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50015005
PNG
(CHEMBL3262093 | US9259422, 13b, R = Ph-BU125 | US9...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@H](O)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.26,wD:29.35,7.7,17.39,c:38,THB:10:9:17:4.5.6,(9.21,-13.98,;9.22,-12.26,;7.63,-13.17,;6.17,-12.26,;6.92,-10.94,;6.17,-9.62,;6.92,-8.28,;8.42,-8.28,;9.75,-7.5,;8.46,-6.73,;9.24,-5.36,;10.78,-5.35,;12.11,-6.11,;12.1,-4.57,;7.67,-7.71,;7.67,-9.6,;8.46,-10.94,;9.24,-9.62,;10.78,-9.62,;11.56,-10.94,;12.33,-9.61,;13.1,-10.95,;13.86,-12.29,;13.88,-9.61,;15.44,-9.63,;16.22,-8.29,;15.45,-6.93,;13.88,-6.93,;13.11,-8.27,;10.76,-12.28,;11.53,-13.63,;10.74,-14.97,;9.47,-11.48,;10.58,-10.39,;4.63,-9.62,;3.84,-10.94,;4.63,-12.26,;3.83,-13.62,)|
Show InChI InChI=1S/C30H33NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-12,18,21,23,25,27,32-33H,7-8,13-17H2,1H3/t21-,23-,25-,27-,28-,29+,30-/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 2.80n/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50015005
PNG
(CHEMBL3262093 | US9259422, 13b, R = Ph-BU125 | US9...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@H](O)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.26,wD:29.35,7.7,17.39,c:38,THB:10:9:17:4.5.6,(9.21,-13.98,;9.22,-12.26,;7.63,-13.17,;6.17,-12.26,;6.92,-10.94,;6.17,-9.62,;6.92,-8.28,;8.42,-8.28,;9.75,-7.5,;8.46,-6.73,;9.24,-5.36,;10.78,-5.35,;12.11,-6.11,;12.1,-4.57,;7.67,-7.71,;7.67,-9.6,;8.46,-10.94,;9.24,-9.62,;10.78,-9.62,;11.56,-10.94,;12.33,-9.61,;13.1,-10.95,;13.86,-12.29,;13.88,-9.61,;15.44,-9.63,;16.22,-8.29,;15.45,-6.93,;13.88,-6.93,;13.11,-8.27,;10.76,-12.28,;11.53,-13.63,;10.74,-14.97,;9.47,-11.48,;10.58,-10.39,;4.63,-9.62,;3.84,-10.94,;4.63,-12.26,;3.83,-13.62,)|
Show InChI InChI=1S/C30H33NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-12,18,21,23,25,27,32-33H,7-8,13-17H2,1H3/t21-,23-,25-,27-,28-,29+,30-/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 2.10n/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50015001
PNG
(CHEMBL3262092)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@H](O)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C30H35NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-10,18,21,23,25,27,32-33H,7-8,11-17H2,1H3/t21-,23-,25+,27-,28-,29+,30-/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 1.60n/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50015001
PNG
(CHEMBL3262092)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@H](O)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C30H35NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-10,18,21,23,25,27,32-33H,7-8,11-17H2,1H3/t21-,23-,25+,27-,28-,29+,30-/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 0.360n/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50015008
PNG
(CHEMBL3262362)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@@](O)(CC)C(C)(C)C)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.28,wD:29.34,7.7,17.38,c:37,THB:10:9:17:4.5.6,(9.21,-13.98,;9.22,-12.26,;7.63,-13.17,;6.17,-12.26,;6.92,-10.94,;6.17,-9.62,;6.92,-8.28,;8.42,-8.28,;9.75,-7.5,;8.46,-6.73,;9.24,-5.36,;10.78,-5.35,;12.11,-6.11,;12.1,-4.57,;7.67,-7.71,;7.67,-9.6,;8.46,-10.94,;9.24,-9.62,;10.78,-9.62,;11.56,-10.94,;12.33,-9.61,;13.1,-10.95,;13.87,-12.29,;13.88,-9.61,;13.11,-8.27,;14.67,-10.95,;15.45,-9.59,;15.45,-12.31,;16.24,-10.95,;10.76,-12.28,;11.53,-13.63,;10.74,-14.97,;9.47,-11.48,;10.58,-10.39,;4.63,-9.62,;3.84,-10.94,;4.63,-12.26,;3.83,-13.62,)|
Show InChI InChI=1S/C30H41NO4/c1-6-30(33,26(2,3)4)21-16-27-11-12-29(21,34-5)25-28(27)13-14-31(17-18-7-8-18)22(27)15-19-9-10-20(32)24(35-25)23(19)28/h9-12,18,21-22,25,32-33H,6-8,13-17H2,1-5H3/t21-,22+,25+,27+,28-,29+,30-/m0/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 122n/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50014998
PNG
(CHEMBL3262361)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@@](O)(CC)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.28,wD:31.37,7.7,17.41,c:40,THB:10:9:17:4.5.6,(9.2,-13.96,;9.21,-12.24,;7.62,-13.15,;6.17,-12.24,;6.91,-10.92,;6.17,-9.6,;6.91,-8.27,;8.41,-8.27,;9.74,-7.49,;8.45,-6.72,;9.22,-5.36,;10.76,-5.34,;12.1,-6.1,;12.08,-4.57,;7.66,-7.7,;7.66,-9.59,;8.45,-10.92,;9.23,-9.6,;10.76,-9.6,;11.54,-10.93,;12.31,-9.6,;13.08,-10.94,;13.84,-12.27,;14.64,-10.94,;15.43,-12.3,;13.86,-9.6,;15.41,-9.61,;16.19,-8.27,;15.42,-6.92,;13.86,-6.92,;13.09,-8.26,;10.75,-12.26,;11.51,-13.61,;10.73,-14.94,;9.46,-11.46,;10.56,-10.37,;4.62,-9.6,;3.84,-10.92,;4.62,-12.24,;3.82,-13.6,)|
Show InChI InChI=1S/C32H37NO4/c1-3-31(35,22-7-5-4-6-8-22)24-18-29-13-14-32(24,36-2)28-30(29)15-16-33(19-20-9-10-20)25(29)17-21-11-12-23(34)27(37-28)26(21)30/h4-8,11-14,20,24-25,28,34-35H,3,9-10,15-19H2,1-2H3/t24-,25-,28-,29-,30+,31-,32-/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 32n/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50014995
PNG
(CHEMBL3262090 | US9259422, 13a, R = Ph-BU126 | US9...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@H](O)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C30H35NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-10,18,21,23,25,27,32-33H,7-8,11-17H2,1H3/t21-,23-,25-,27-,28-,29+,30-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 10n/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50015005
PNG
(CHEMBL3262093 | US9259422, 13b, R = Ph-BU125 | US9...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@H](O)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.26,wD:29.35,7.7,17.39,c:38,THB:10:9:17:4.5.6,(9.21,-13.98,;9.22,-12.26,;7.63,-13.17,;6.17,-12.26,;6.92,-10.94,;6.17,-9.62,;6.92,-8.28,;8.42,-8.28,;9.75,-7.5,;8.46,-6.73,;9.24,-5.36,;10.78,-5.35,;12.11,-6.11,;12.1,-4.57,;7.67,-7.71,;7.67,-9.6,;8.46,-10.94,;9.24,-9.62,;10.78,-9.62,;11.56,-10.94,;12.33,-9.61,;13.1,-10.95,;13.86,-12.29,;13.88,-9.61,;15.44,-9.63,;16.22,-8.29,;15.45,-6.93,;13.88,-6.93,;13.11,-8.27,;10.76,-12.28,;11.53,-13.63,;10.74,-14.97,;9.47,-11.48,;10.58,-10.39,;4.63,-9.62,;3.84,-10.94,;4.63,-12.26,;3.83,-13.62,)|
Show InChI InChI=1S/C30H33NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-12,18,21,23,25,27,32-33H,7-8,13-17H2,1H3/t21-,23-,25-,27-,28-,29+,30-/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 1.80n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by beta-plat...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50015010
PNG
(CHEMBL3262091)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@](O)(CC)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C32H39NO4/c1-3-31(35,22-7-5-4-6-8-22)24-18-29-13-14-32(24,36-2)28-30(29)15-16-33(19-20-9-10-20)25(29)17-21-11-12-23(34)27(37-28)26(21)30/h4-8,11-12,20,24-25,28,34-35H,3,9-10,13-19H2,1-2H3/t24-,25-,28-,29-,30+,31-,32-/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 18n/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50014995
PNG
(CHEMBL3262090 | US9259422, 13a, R = Ph-BU126 | US9...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@H](O)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C30H35NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-10,18,21,23,25,27,32-33H,7-8,11-17H2,1H3/t21-,23-,25-,27-,28-,29+,30-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.5n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by beta-plat...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50015007
PNG
(CHEMBL3262088)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@](O)(CC)C(C)(C)C)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C30H43NO4/c1-6-30(33,26(2,3)4)21-16-27-11-12-29(21,34-5)25-28(27)13-14-31(17-18-7-8-18)22(27)15-19-9-10-20(32)24(35-25)23(19)28/h9-10,18,21-22,25,32-33H,6-8,11-17H2,1-5H3/t21-,22+,25+,27+,28-,29+,30-/m0/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>1.00E+4n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by beta-plat...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50015008
PNG
(CHEMBL3262362)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@@](O)(CC)C(C)(C)C)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.28,wD:29.34,7.7,17.38,c:37,THB:10:9:17:4.5.6,(9.21,-13.98,;9.22,-12.26,;7.63,-13.17,;6.17,-12.26,;6.92,-10.94,;6.17,-9.62,;6.92,-8.28,;8.42,-8.28,;9.75,-7.5,;8.46,-6.73,;9.24,-5.36,;10.78,-5.35,;12.11,-6.11,;12.1,-4.57,;7.67,-7.71,;7.67,-9.6,;8.46,-10.94,;9.24,-9.62,;10.78,-9.62,;11.56,-10.94,;12.33,-9.61,;13.1,-10.95,;13.87,-12.29,;13.88,-9.61,;13.11,-8.27,;14.67,-10.95,;15.45,-9.59,;15.45,-12.31,;16.24,-10.95,;10.76,-12.28,;11.53,-13.63,;10.74,-14.97,;9.47,-11.48,;10.58,-10.39,;4.63,-9.62,;3.84,-10.94,;4.63,-12.26,;3.83,-13.62,)|
Show InChI InChI=1S/C30H41NO4/c1-6-30(33,26(2,3)4)21-16-27-11-12-29(21,34-5)25-28(27)13-14-31(17-18-7-8-18)22(27)15-19-9-10-20(32)24(35-25)23(19)28/h9-12,18,21-22,25,32-33H,6-8,13-17H2,1-5H3/t21-,22+,25+,27+,28-,29+,30-/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
n/an/an/an/a 238n/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50015001
PNG
(CHEMBL3262092)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@H](O)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C30H35NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-10,18,21,23,25,27,32-33H,7-8,11-17H2,1H3/t21-,23-,25+,27-,28-,29+,30-/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 0.640n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by beta-plat...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50014998
PNG
(CHEMBL3262361)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@@](O)(CC)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.28,wD:31.37,7.7,17.41,c:40,THB:10:9:17:4.5.6,(9.2,-13.96,;9.21,-12.24,;7.62,-13.15,;6.17,-12.24,;6.91,-10.92,;6.17,-9.6,;6.91,-8.27,;8.41,-8.27,;9.74,-7.49,;8.45,-6.72,;9.22,-5.36,;10.76,-5.34,;12.1,-6.1,;12.08,-4.57,;7.66,-7.7,;7.66,-9.59,;8.45,-10.92,;9.23,-9.6,;10.76,-9.6,;11.54,-10.93,;12.31,-9.6,;13.08,-10.94,;13.84,-12.27,;14.64,-10.94,;15.43,-12.3,;13.86,-9.6,;15.41,-9.61,;16.19,-8.27,;15.42,-6.92,;13.86,-6.92,;13.09,-8.26,;10.75,-12.26,;11.51,-13.61,;10.73,-14.94,;9.46,-11.46,;10.56,-10.37,;4.62,-9.6,;3.84,-10.92,;4.62,-12.24,;3.82,-13.6,)|
Show InChI InChI=1S/C32H37NO4/c1-3-31(35,22-7-5-4-6-8-22)24-18-29-13-14-32(24,36-2)28-30(29)15-16-33(19-20-9-10-20)25(29)17-21-11-12-23(34)27(37-28)26(21)30/h4-8,11-14,20,24-25,28,34-35H,3,9-10,15-19H2,1-2H3/t24-,25-,28-,29-,30+,31-,32-/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 57n/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50015007
PNG
(CHEMBL3262088)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@](O)(CC)C(C)(C)C)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C30H43NO4/c1-6-30(33,26(2,3)4)21-16-27-11-12-29(21,34-5)25-28(27)13-14-31(17-18-7-8-18)22(27)15-19-9-10-20(32)24(35-25)23(19)28/h9-10,18,21-22,25,32-33H,6-8,11-17H2,1-5H3/t21-,22+,25+,27+,28-,29+,30-/m0/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 183n/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50014998
PNG
(CHEMBL3262361)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@@](O)(CC)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.28,wD:31.37,7.7,17.41,c:40,THB:10:9:17:4.5.6,(9.2,-13.96,;9.21,-12.24,;7.62,-13.15,;6.17,-12.24,;6.91,-10.92,;6.17,-9.6,;6.91,-8.27,;8.41,-8.27,;9.74,-7.49,;8.45,-6.72,;9.22,-5.36,;10.76,-5.34,;12.1,-6.1,;12.08,-4.57,;7.66,-7.7,;7.66,-9.59,;8.45,-10.92,;9.23,-9.6,;10.76,-9.6,;11.54,-10.93,;12.31,-9.6,;13.08,-10.94,;13.84,-12.27,;14.64,-10.94,;15.43,-12.3,;13.86,-9.6,;15.41,-9.61,;16.19,-8.27,;15.42,-6.92,;13.86,-6.92,;13.09,-8.26,;10.75,-12.26,;11.51,-13.61,;10.73,-14.94,;9.46,-11.46,;10.56,-10.37,;4.62,-9.6,;3.84,-10.92,;4.62,-12.24,;3.82,-13.6,)|
Show InChI InChI=1S/C32H37NO4/c1-3-31(35,22-7-5-4-6-8-22)24-18-29-13-14-32(24,36-2)28-30(29)15-16-33(19-20-9-10-20)25(29)17-21-11-12-23(34)27(37-28)26(21)30/h4-8,11-14,20,24-25,28,34-35H,3,9-10,15-19H2,1-2H3/t24-,25-,28-,29-,30+,31-,32-/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 10n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by beta-plat...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50354578
PNG
(BUPRENORPHINE | US9315514, Buprenorphine)
Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29+/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/an/an/a 10n/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50015003
PNG
(CHEMBL3262089 | US9259422, 7a, R = Ph-BU127 | US94...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C31H37NO4/c1-28(34,21-6-4-3-5-7-21)23-17-29-12-13-31(23,35-2)27-30(29)14-15-32(18-19-8-9-19)24(29)16-20-10-11-22(33)26(36-27)25(20)30/h3-7,10-11,19,23-24,27,33-34H,8-9,12-18H2,1-2H3/t23-,24-,27-,28-,29-,30+,31-/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 2.70n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by beta-plat...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%