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

Found 193 hits with Last Name = 'martinez-bermejo' and Initial = 'f'   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027230
PNG
(CHEMBL2113666)
Show SMILES [H][C@@]12Oc3cccc4C[C@@]5([H])N(C)CC[C@@]1(c34)[C@]5(CCC2=O)NC(=O)\C=C\c1ccccc1Cl |r,THB:12:11:17:8.7.16|
Show InChI InChI=1/C26H25ClN2O3/c1-29-14-13-25-23-17-6-4-8-20(23)32-24(25)19(30)11-12-26(25,21(29)15-17)28-22(31)10-9-16-5-2-3-7-18(16)27/h2-10,21,24H,11-15H2,1H3,(H,28,31)/b10-9+/t21-,24+,25+,26-/s2
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



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human cloned delta opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50130607
PNG
(3-hydroxy-4-methoxy-17-methyl-18-[1-phenyl-(E)-eth...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]4([C@@H]5\C(C[C@]34CCC5=O)=C(/C)c3ccccc3)c2c1O |TLB:4:5:16:8.11.10,30:29:16:8.11.10,THB:21:14:12:19.17.18|
Show InChI InChI=1S/C28H31NO3/c1-17(18-7-5-4-6-8-18)20-16-27-12-11-21(30)25(20)28(27)13-14-29(2)23(27)15-19-9-10-22(32-3)26(31)24(19)28/h4-10,23,25,31H,11-16H2,1-3H3/b20-17+/t23?,25-,27-,28+/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



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity in recombinant human Opioid receptor kappa 1 transfected into chinese hamster ovary cells by displacing [3H]U-69593 radioligand


J Med Chem 46: 3174-7 (2003)


Article DOI: 10.1021/jm030801n
BindingDB Entry DOI: 10.7270/Q2TH8NGD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027235
PNG
(CHEMBL2113304)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccccc2C)C1)ccc3O |THB:10:9:5.4.6:14|
Show InChI InChI=1S/C31H36N2O4/c1-19-6-4-5-7-20(19)9-11-25(35)32-18-22-17-29-12-13-31(22,36-3)28-30(29)14-15-33(2)24(29)16-21-8-10-23(34)27(37-28)26(21)30/h4-11,22,24,28,34H,12-18H2,1-3H3,(H,32,35)/b11-9+/t22-,24-,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
Article
PubMed
0.140n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human cloned mu opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027230
PNG
(CHEMBL2113666)
Show SMILES [H][C@@]12Oc3cccc4C[C@@]5([H])N(C)CC[C@@]1(c34)[C@]5(CCC2=O)NC(=O)\C=C\c1ccccc1Cl |r,THB:12:11:17:8.7.16|
Show InChI InChI=1/C26H25ClN2O3/c1-29-14-13-25-23-17-6-4-8-20(23)32-24(25)19(30)11-12-26(25,21(29)15-17)28-22(31)10-9-16-5-2-3-7-18(16)27/h2-10,21,24H,11-15H2,1H3,(H,28,31)/b10-9+/t21-,24+,25+,26-/s2
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



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human cloned mu opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027244
PNG
(CHEMBL2113307)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccc(Cl)cc2)C1)ccc3O |THB:10:9:5.4.6:14|
Show InChI InChI=1S/C30H33ClN2O4/c1-33-14-13-29-25-19-6-9-22(34)26(25)37-27(29)30(36-2)12-11-28(29,23(33)15-19)16-20(30)17-32-24(35)10-5-18-3-7-21(31)8-4-18/h3-10,20,23,27,34H,11-17H2,1-2H3,(H,32,35)/b10-5+/t20-,23-,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
0.180n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human cloned mu opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027242
PNG
(CHEMBL2113308)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)C1)ccc3O |THB:10:9:5.4.6:14|
Show InChI InChI=1S/C30H33N3O6/c1-32-14-13-29-25-19-6-9-22(34)26(25)39-27(29)30(38-2)12-11-28(29,23(32)15-19)16-20(30)17-31-24(35)10-5-18-3-7-21(8-4-18)33(36)37/h3-10,20,23,27,34H,11-17H2,1-2H3,(H,31,35)/b10-5+/t20-,23-,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
0.190n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human cloned mu opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50130602
PNG
(3-hydroxy-4-methoxy-17-methyl-18-[1-phenyl-(E)-met...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]4([C@@H]5\C(C[C@]34CCC5=O)=C\c3ccccc3)c2c1O |TLB:4:5:16:8.11.10,29:28:16:8.11.10,THB:21:14:12:17.19.18|
Show InChI InChI=1S/C27H29NO3/c1-28-13-12-27-23-19(14-17-6-4-3-5-7-17)16-26(27,11-10-20(23)29)22(28)15-18-8-9-21(31-2)25(30)24(18)27/h3-9,14,22-23,30H,10-13,15-16H2,1-2H3/b19-14+/t22?,23-,26-,27-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity in recombinant human Opioid receptor kappa 1 transfected into chinese hamster ovary cells by displacing [3H]U-69593 radioligand


J Med Chem 46: 3174-7 (2003)


Article DOI: 10.1021/jm030801n
BindingDB Entry DOI: 10.7270/Q2TH8NGD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem
Article
PubMed
0.200n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity for human Opioid receptor mu 1 transfected into chinese hamster ovary cells by displacing [3H]DAMGO radioligand


J Med Chem 46: 3174-7 (2003)


Article DOI: 10.1021/jm030801n
BindingDB Entry DOI: 10.7270/Q2TH8NGD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem
Article
PubMed
0.200n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human cloned mu opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


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

Reactome pathway
KEGG

UniProtKB/SwissProt

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



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity for human Opioid receptor delta 1 transfected into chinese hamster ovary cells by displacing [3H]CI-DPDPE radioligand


J Med Chem 46: 3174-7 (2003)


Article DOI: 10.1021/jm030801n
BindingDB Entry DOI: 10.7270/Q2TH8NGD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027246
PNG
(CHEMBL2113313)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]13C=C[C@@]2(OC)[C@]2([H])Oc4c5c(C[C@@]1([H])N(C)CC[C@@]325)ccc4O)C(=O)\C=C\c1ccccc1C |c:9,TLB:23:22:18.17.19:7|
Show InChI InChI=1S/C32H34N2O4/c1-19-6-4-5-7-20(19)9-11-26(36)34-17-22-23(18-34)32(37-3)13-12-30(22)25-16-21-8-10-24(35)28-27(21)31(30,29(32)38-28)14-15-33(25)2/h4-13,22-23,25,29,35H,14-18H2,1-3H3/b11-9+/t22-,23+,25-,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
0.220n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human cloned mu opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027243
PNG
(CHEMBL2113306)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccc(C)cc2)C1)ccc3O |THB:10:9:5.4.6:14|
Show InChI InChI=1S/C31H36N2O4/c1-19-4-6-20(7-5-19)8-11-25(35)32-18-22-17-29-12-13-31(22,36-3)28-30(29)14-15-33(2)24(29)16-21-9-10-23(34)27(37-28)26(21)30/h4-11,22,24,28,34H,12-18H2,1-3H3,(H,32,35)/b11-8+/t22-,24-,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
Article
PubMed
0.230n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human cloned mu opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027236
PNG
(CHEMBL2113305)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccccc2Cl)C1)ccc3O |THB:10:9:5.4.6:14|
Show InChI InChI=1S/C30H33ClN2O4/c1-33-14-13-29-25-19-7-9-22(34)26(25)37-27(29)30(36-2)12-11-28(29,23(33)15-19)16-20(30)17-32-24(35)10-8-18-5-3-4-6-21(18)31/h3-10,20,23,27,34H,11-17H2,1-2H3,(H,32,35)/b10-8+/t20-,23-,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
0.25n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human cloned mu opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027238
PNG
(CHEMBL2113303)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccccc2)C1)ccc3O |THB:10:9:5.4.6:14|
Show InChI InChI=1S/C30H34N2O4/c1-32-15-14-29-25-20-9-10-22(33)26(25)36-27(29)30(35-2)13-12-28(29,23(32)16-20)17-21(30)18-31-24(34)11-8-19-6-4-3-5-7-19/h3-11,21,23,27,33H,12-18H2,1-2H3,(H,31,34)/b11-8+/t21-,23-,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
0.25n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human cloned mu opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027248
PNG
(CHEMBL2113311)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC\C=C\c2ccccc2)C1)ccc3O |THB:10:9:5.4.6:14|
Show InChI InChI=1S/C30H36N2O3/c1-32-16-14-29-25-21-10-11-23(33)26(25)35-27(29)30(34-2)13-12-28(29,24(32)17-21)18-22(30)19-31-15-6-9-20-7-4-3-5-8-20/h3-11,22,24,27,31,33H,12-19H2,1-2H3/b9-6+/t22-,24-,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
0.390n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human cloned mu opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem
Article
PubMed
0.400n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity in recombinant human Opioid receptor kappa 1 transfected into chinese hamster ovary cells by displacing [3H]U-69593 radioligand


J Med Chem 46: 3174-7 (2003)


Article DOI: 10.1021/jm030801n
BindingDB Entry DOI: 10.7270/Q2TH8NGD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem
Article
PubMed
0.400n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human cloned kappa opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50130602
PNG
(3-hydroxy-4-methoxy-17-methyl-18-[1-phenyl-(E)-met...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]4([C@@H]5\C(C[C@]34CCC5=O)=C\c3ccccc3)c2c1O |TLB:4:5:16:8.11.10,29:28:16:8.11.10,THB:21:14:12:17.19.18|
Show InChI InChI=1S/C27H29NO3/c1-28-13-12-27-23-19(14-17-6-4-3-5-7-17)16-26(27,11-10-20(23)29)22(28)15-18-8-9-21(31-2)25(30)24(18)27/h3-9,14,22-23,30H,10-13,15-16H2,1-2H3/b19-14+/t22?,23-,26-,27-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.430n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity for human Opioid receptor mu 1 transfected into chinese hamster ovary cells by displacing [3H]DAMGO radioligand


J Med Chem 46: 3174-7 (2003)


Article DOI: 10.1021/jm030801n
BindingDB Entry DOI: 10.7270/Q2TH8NGD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027247
PNG
(CHEMBL2113314)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]13C=C[C@@]2(OC)[C@]2([H])Oc4c5c(C[C@@]1([H])N(C)CC[C@@]325)ccc4O)C(=O)\C=C\c1ccc(C)cc1 |c:9,TLB:23:22:18.17.19:7|
Show InChI InChI=1S/C32H34N2O4/c1-19-4-6-20(7-5-19)8-11-26(36)34-17-22-23(18-34)32(37-3)13-12-30(22)25-16-21-9-10-24(35)28-27(21)31(30,29(32)38-28)14-15-33(25)2/h4-13,22-23,25,29,35H,14-18H2,1-3H3/b11-8+/t22-,23+,25-,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
0.480n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human cloned mu opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027246
PNG
(CHEMBL2113313)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]13C=C[C@@]2(OC)[C@]2([H])Oc4c5c(C[C@@]1([H])N(C)CC[C@@]325)ccc4O)C(=O)\C=C\c1ccccc1C |c:9,TLB:23:22:18.17.19:7|
Show InChI InChI=1S/C32H34N2O4/c1-19-6-4-5-7-20(19)9-11-26(36)34-17-22-23(18-34)32(37-3)13-12-30(22)25-16-21-8-10-24(35)28-27(21)31(30,29(32)38-28)14-15-33(25)2/h4-13,22-23,25,29,35H,14-18H2,1-3H3/b11-9+/t22-,23+,25-,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
0.520n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human cloned kappa opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027230
PNG
(CHEMBL2113666)
Show SMILES [H][C@@]12Oc3cccc4C[C@@]5([H])N(C)CC[C@@]1(c34)[C@]5(CCC2=O)NC(=O)\C=C\c1ccccc1Cl |r,THB:12:11:17:8.7.16|
Show InChI InChI=1/C26H25ClN2O3/c1-29-14-13-25-23-17-6-4-8-20(23)32-24(25)19(30)11-12-26(25,21(29)15-17)28-22(31)10-9-16-5-2-3-7-18(16)27/h2-10,21,24H,11-15H2,1H3,(H,28,31)/b10-9+/t21-,24+,25+,26-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.540n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human cloned kappa opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50130600
PNG
(19-methoxy-24-methyl-26-[1-phenyl-(E)-ethylidene]-...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]4([C@@H]5\C(C[C@]34Cc3c5[nH]c4ccccc34)=C(/C)c3ccccc3)c2c1O |TLB:36:35:16:8.11.10,4:5:16:8.11.10|
Show InChI InChI=1S/C34H34N2O2/c1-20(21-9-5-4-6-10-21)24-18-33-19-25-23-11-7-8-12-26(23)35-31(25)30(24)34(33)15-16-36(2)28(33)17-22-13-14-27(38-3)32(37)29(22)34/h4-14,28,30,35,37H,15-19H2,1-3H3/b24-20+/t28?,30-,33+,34+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.610n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity in recombinant human Opioid receptor kappa 1 transfected into chinese hamster ovary cells by displacing [3H]U-69593 radioligand


J Med Chem 46: 3174-7 (2003)


Article DOI: 10.1021/jm030801n
BindingDB Entry DOI: 10.7270/Q2TH8NGD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027255
PNG
(CHEMBL2113296)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccccc2Cl)C1)ccc3OC |THB:10:9:5.4.6:14|
Show InChI InChI=1S/C31H35ClN2O4/c1-34-15-14-30-26-20-8-10-23(36-2)27(26)38-28(30)31(37-3)13-12-29(30,24(34)16-20)17-21(31)18-33-25(35)11-9-19-6-4-5-7-22(19)32/h4-11,21,24,28H,12-18H2,1-3H3,(H,33,35)/b11-9+/t21-,24-,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
Article
PubMed
0.630n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human cloned mu opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027249
PNG
(CHEMBL2113312)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC\C=C\c2ccc(Cl)cc2)C1)ccc3O |THB:10:9:5.4.6:14|
Show InChI InChI=1S/C30H35ClN2O3/c1-33-15-13-29-25-20-7-10-23(34)26(25)36-27(29)30(35-2)12-11-28(29,24(33)16-20)17-21(30)18-32-14-3-4-19-5-8-22(31)9-6-19/h3-10,21,24,27,32,34H,11-18H2,1-2H3/b4-3+/t21-,24-,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
0.680n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human cloned mu opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027254
PNG
(CHEMBL2113295)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccccc2C)C1)ccc3OC |THB:10:9:5.4.6:14|
Show InChI InChI=1S/C32H38N2O4/c1-20-7-5-6-8-21(20)10-12-26(35)33-19-23-18-30-13-14-32(23,37-4)29-31(30)15-16-34(2)25(30)17-22-9-11-24(36-3)28(38-29)27(22)31/h5-12,23,25,29H,13-19H2,1-4H3,(H,33,35)/b12-10+/t23-,25-,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
0.740n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human cloned mu opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50026603
PNG
(BUPRENORPHINE | Buprenorphine | CHEBI:3216)
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)C(C)(C)C)ccc3O |r,TLB:25:17:4.5.6:9.15.14,18:17:4.5.6:9.15.14,THB:10:9:17:4.5.6,3:4:17:9.15.14,26:23:16.1:18.19|
Show InChI InChI=1/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-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
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]U-69593 from human cloned kappa opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027241
PNG
(CHEMBL2113299)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)C1)ccc3OC |THB:10:9:5.4.6:14|
Show InChI InChI=1S/C31H35N3O6/c1-33-15-14-30-26-20-7-10-23(38-2)27(26)40-28(30)31(39-3)13-12-29(30,24(33)16-20)17-21(31)18-32-25(35)11-6-19-4-8-22(9-5-19)34(36)37/h4-11,21,24,28H,12-18H2,1-3H3,(H,32,35)/b11-6+/t21-,24-,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
Article
PubMed
0.870n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human cloned mu opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
1.10n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human cloned mu opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027247
PNG
(CHEMBL2113314)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]13C=C[C@@]2(OC)[C@]2([H])Oc4c5c(C[C@@]1([H])N(C)CC[C@@]325)ccc4O)C(=O)\C=C\c1ccc(C)cc1 |c:9,TLB:23:22:18.17.19:7|
Show InChI InChI=1S/C32H34N2O4/c1-19-4-6-20(7-5-19)8-11-26(36)34-17-22-23(18-34)32(37-3)13-12-30(22)25-16-21-9-10-24(35)28-27(21)31(30,29(32)38-28)14-15-33(25)2/h4-13,22-23,25,29,35H,14-18H2,1-3H3/b11-8+/t22-,23+,25-,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
1.40n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human cloned kappa opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50026603
PNG
(BUPRENORPHINE | Buprenorphine | CHEBI:3216)
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)C(C)(C)C)ccc3O |r,TLB:25:17:4.5.6:9.15.14,18:17:4.5.6:9.15.14,THB:10:9:17:4.5.6,3:4:17:9.15.14,26:23:16.1:18.19|
Show InChI InChI=1/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-/s2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
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 cloned mu opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027236
PNG
(CHEMBL2113305)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccccc2Cl)C1)ccc3O |THB:10:9:5.4.6:14|
Show InChI InChI=1S/C30H33ClN2O4/c1-33-14-13-29-25-19-7-9-22(34)26(25)37-27(29)30(36-2)12-11-28(29,23(33)15-19)16-20(30)17-32-24(35)10-8-18-5-3-4-6-21(18)31/h3-10,20,23,27,34H,11-17H2,1-2H3,(H,32,35)/b10-8+/t20-,23-,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
1.60n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human cloned kappa opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027242
PNG
(CHEMBL2113308)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)C1)ccc3O |THB:10:9:5.4.6:14|
Show InChI InChI=1S/C30H33N3O6/c1-32-14-13-29-25-19-6-9-22(34)26(25)39-27(29)30(38-2)12-11-28(29,23(32)15-19)16-20(30)17-31-24(35)10-5-18-3-7-21(8-4-18)33(36)37/h3-10,20,23,27,34H,11-17H2,1-2H3,(H,31,35)/b10-5+/t20-,23-,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
1.70n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human cloned kappa opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027245
PNG
(CHEMBL2113294)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccccc2)C1)ccc3OC |THB:10:9:5.4.6:14|
Show InChI InChI=1S/C31H36N2O4/c1-33-16-15-30-26-21-10-11-23(35-2)27(26)37-28(30)31(36-3)14-13-29(30,24(33)17-21)18-22(31)19-32-25(34)12-9-20-7-5-4-6-8-20/h4-12,22,24,28H,13-19H2,1-3H3,(H,32,34)/b12-9+/t22-,24-,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
Article
PubMed
1.70n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human cloned mu opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027235
PNG
(CHEMBL2113304)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccccc2C)C1)ccc3O |THB:10:9:5.4.6:14|
Show InChI InChI=1S/C31H36N2O4/c1-19-6-4-5-7-20(19)9-11-25(35)32-18-22-17-29-12-13-31(22,36-3)28-30(29)14-15-33(2)24(29)16-21-8-10-23(34)27(37-28)26(21)30/h4-11,22,24,28,34H,12-18H2,1-3H3,(H,32,35)/b11-9+/t22-,24-,28-,29-,30+,31+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human cloned kappa opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027244
PNG
(CHEMBL2113307)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccc(Cl)cc2)C1)ccc3O |THB:10:9:5.4.6:14|
Show InChI InChI=1S/C30H33ClN2O4/c1-33-14-13-29-25-19-6-9-22(34)26(25)37-27(29)30(36-2)12-11-28(29,23(33)15-19)16-20(30)17-32-24(35)10-5-18-3-7-21(31)8-4-18/h3-10,20,23,27,34H,11-17H2,1-2H3,(H,32,35)/b10-5+/t20-,23-,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
1.90n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human cloned kappa opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027240
PNG
(CHEMBL2113301)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccccc2OC)C1)ccc3OC |THB:10:9:5.4.6:14|
Show InChI InChI=1S/C32H38N2O5/c1-34-16-15-31-27-21-9-11-24(37-3)28(27)39-29(31)32(38-4)14-13-30(31,25(34)17-21)18-22(32)19-33-26(35)12-10-20-7-5-6-8-23(20)36-2/h5-12,22,25,29H,13-19H2,1-4H3,(H,33,35)/b12-10+/t22-,25-,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
2n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human cloned mu opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027246
PNG
(CHEMBL2113313)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]13C=C[C@@]2(OC)[C@]2([H])Oc4c5c(C[C@@]1([H])N(C)CC[C@@]325)ccc4O)C(=O)\C=C\c1ccccc1C |c:9,TLB:23:22:18.17.19:7|
Show InChI InChI=1S/C32H34N2O4/c1-19-6-4-5-7-20(19)9-11-26(36)34-17-22-23(18-34)32(37-3)13-12-30(22)25-16-21-8-10-24(35)28-27(21)31(30,29(32)38-28)14-15-33(25)2/h4-13,22-23,25,29,35H,14-18H2,1-3H3/b11-9+/t22-,23+,25-,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
2.40n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human cloned delta opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027253
PNG
(CHEMBL2113298)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccc(Cl)cc2)C1)ccc3OC |THB:10:9:5.4.6:14|
Show InChI InChI=1S/C31H35ClN2O4/c1-34-15-14-30-26-20-7-10-23(36-2)27(26)38-28(30)31(37-3)13-12-29(30,24(34)16-20)17-21(31)18-33-25(35)11-6-19-4-8-22(32)9-5-19/h4-11,21,24,28H,12-18H2,1-3H3,(H,33,35)/b11-6+/t21-,24-,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
Article
PubMed
2.60n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human cloned mu opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027239
PNG
(CHEMBL2113300 | SJ000091719)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccccc2[N+]([O-])=O)C1)ccc3OC |THB:10:9:5.4.6:14|
Show InChI InChI=1S/C31H35N3O6/c1-33-15-14-30-26-20-8-10-23(38-2)27(26)40-28(30)31(39-3)13-12-29(30,24(33)16-20)17-21(31)18-32-25(35)11-9-19-6-4-5-7-22(19)34(36)37/h4-11,21,24,28H,12-18H2,1-3H3,(H,32,35)/b11-9+/t21-,24-,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
Article
PubMed
3n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human cloned mu opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027243
PNG
(CHEMBL2113306)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccc(C)cc2)C1)ccc3O |THB:10:9:5.4.6:14|
Show InChI InChI=1S/C31H36N2O4/c1-19-4-6-20(7-5-19)8-11-25(35)32-18-22-17-29-12-13-31(22,36-3)28-30(29)14-15-33(2)24(29)16-21-9-10-23(34)27(37-28)26(21)30/h4-11,22,24,28,34H,12-18H2,1-3H3,(H,32,35)/b11-8+/t22-,24-,28-,29-,30+,31+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.10n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human cloned kappa opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027235
PNG
(CHEMBL2113304)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccccc2C)C1)ccc3O |THB:10:9:5.4.6:14|
Show InChI InChI=1S/C31H36N2O4/c1-19-6-4-5-7-20(19)9-11-25(35)32-18-22-17-29-12-13-31(22,36-3)28-30(29)14-15-33(2)24(29)16-21-8-10-23(34)27(37-28)26(21)30/h4-11,22,24,28,34H,12-18H2,1-3H3,(H,32,35)/b11-9+/t22-,24-,28-,29-,30+,31+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.40n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human cloned delta opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50130607
PNG
(3-hydroxy-4-methoxy-17-methyl-18-[1-phenyl-(E)-eth...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]4([C@@H]5\C(C[C@]34CCC5=O)=C(/C)c3ccccc3)c2c1O |TLB:4:5:16:8.11.10,30:29:16:8.11.10,THB:21:14:12:19.17.18|
Show InChI InChI=1S/C28H31NO3/c1-17(18-7-5-4-6-8-18)20-16-27-12-11-21(30)25(20)28(27)13-14-29(2)23(27)15-19-9-10-22(32-3)26(31)24(19)28/h4-10,23,25,31H,11-16H2,1-3H3/b20-17+/t23?,25-,27-,28+/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.5n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity for human Opioid receptor mu 1 transfected into chinese hamster ovary cells by displacing [3H]DAMGO radioligand


J Med Chem 46: 3174-7 (2003)


Article DOI: 10.1021/jm030801n
BindingDB Entry DOI: 10.7270/Q2TH8NGD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50026603
PNG
(BUPRENORPHINE | Buprenorphine | CHEBI:3216)
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)C(C)(C)C)ccc3O |r,TLB:25:17:4.5.6:9.15.14,18:17:4.5.6:9.15.14,THB:10:9:17:4.5.6,3:4:17:9.15.14,26:23:16.1:18.19|
Show InChI InChI=1/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-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents

Article
PubMed
4.5n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human cloned delta opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027247
PNG
(CHEMBL2113314)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]13C=C[C@@]2(OC)[C@]2([H])Oc4c5c(C[C@@]1([H])N(C)CC[C@@]325)ccc4O)C(=O)\C=C\c1ccc(C)cc1 |c:9,TLB:23:22:18.17.19:7|
Show InChI InChI=1S/C32H34N2O4/c1-19-4-6-20(7-5-19)8-11-26(36)34-17-22-23(18-34)32(37-3)13-12-30(22)25-16-21-9-10-24(35)28-27(21)31(30,29(32)38-28)14-15-33(25)2/h4-13,22-23,25,29,35H,14-18H2,1-3H3/b11-8+/t22-,23+,25-,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
4.80n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human cloned delta opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027238
PNG
(CHEMBL2113303)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccccc2)C1)ccc3O |THB:10:9:5.4.6:14|
Show InChI InChI=1S/C30H34N2O4/c1-32-15-14-29-25-20-9-10-22(33)26(25)36-27(29)30(35-2)13-12-28(29,23(32)16-20)17-21(30)18-31-24(34)11-8-19-6-4-3-5-7-19/h3-11,21,23,27,33H,12-18H2,1-2H3,(H,31,34)/b11-8+/t21-,23-,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
5.30n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human cloned kappa opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027242
PNG
(CHEMBL2113308)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)C1)ccc3O |THB:10:9:5.4.6:14|
Show InChI InChI=1S/C30H33N3O6/c1-32-14-13-29-25-19-6-9-22(34)26(25)39-27(29)30(38-2)12-11-28(29,23(32)15-19)16-20(30)17-31-24(35)10-5-18-3-7-21(8-4-18)33(36)37/h3-10,20,23,27,34H,11-17H2,1-2H3,(H,31,35)/b10-5+/t20-,23-,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
5.40n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human cloned delta opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50130602
PNG
(3-hydroxy-4-methoxy-17-methyl-18-[1-phenyl-(E)-met...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]4([C@@H]5\C(C[C@]34CCC5=O)=C\c3ccccc3)c2c1O |TLB:4:5:16:8.11.10,29:28:16:8.11.10,THB:21:14:12:17.19.18|
Show InChI InChI=1S/C27H29NO3/c1-28-13-12-27-23-19(14-17-6-4-3-5-7-17)16-26(27,11-10-20(23)29)22(28)15-18-8-9-21(31-2)25(30)24(18)27/h3-9,14,22-23,30H,10-13,15-16H2,1-2H3/b19-14+/t22?,23-,26-,27-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity for human Opioid receptor delta 1 transfected into chinese hamster ovary cells by displacing [3H]CI-DPDPE radioligand


J Med Chem 46: 3174-7 (2003)


Article DOI: 10.1021/jm030801n
BindingDB Entry DOI: 10.7270/Q2TH8NGD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50130607
PNG
(3-hydroxy-4-methoxy-17-methyl-18-[1-phenyl-(E)-eth...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]4([C@@H]5\C(C[C@]34CCC5=O)=C(/C)c3ccccc3)c2c1O |TLB:4:5:16:8.11.10,30:29:16:8.11.10,THB:21:14:12:19.17.18|
Show InChI InChI=1S/C28H31NO3/c1-17(18-7-5-4-6-8-18)20-16-27-12-11-21(30)25(20)28(27)13-14-29(2)23(27)15-19-9-10-22(32-3)26(31)24(19)28/h4-10,23,25,31H,11-16H2,1-3H3/b20-17+/t23?,25-,27-,28+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.70n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity for human Opioid receptor delta 1 transfected into chinese hamster ovary cells by displacing [3H]CI-DPDPE radioligand


J Med Chem 46: 3174-7 (2003)


Article DOI: 10.1021/jm030801n
BindingDB Entry DOI: 10.7270/Q2TH8NGD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50130606
PNG
(19-methoxy-24-methyl-26-[1-phenyl-(E)-methylidene]...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]4([C@@H]5\C(C[C@]34Cc3c5[nH]c4ccccc34)=C\c3ccccc3)c2c1O |TLB:35:34:16:8.11.10,4:5:16:8.11.10|
Show InChI InChI=1S/C33H32N2O2/c1-35-15-14-33-28-22(16-20-8-4-3-5-9-20)18-32(33,19-24-23-10-6-7-11-25(23)34-30(24)28)27(35)17-21-12-13-26(37-2)31(36)29(21)33/h3-13,16,27-28,34,36H,14-15,17-19H2,1-2H3/b22-16+/t27?,28-,32+,33-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.30n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity for human Opioid receptor mu 1 transfected into chinese hamster ovary cells by displacing [3H]DAMGO radioligand


J Med Chem 46: 3174-7 (2003)


Article DOI: 10.1021/jm030801n
BindingDB Entry DOI: 10.7270/Q2TH8NGD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


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

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
6.30n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity for human Opioid receptor mu 1 transfected into chinese hamster ovary cells by displacing [3H]DAMGO radioligand


J Med Chem 46: 3174-7 (2003)


Article DOI: 10.1021/jm030801n
BindingDB Entry DOI: 10.7270/Q2TH8NGD
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 193 total )  |  Next  |  Last  >>
Jump to: