Found 19 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50378890
(CHEMBL1743604)Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)C2[C@@]34CCN5C |r,c:32,38,44,TLB:48:47:37:39.40.43| Show InChI InChI=1S/C40H47N3O6/c1-22-16-27(44)17-23(2)28(22)20-31(41(3)4)38(46)43-21-26-9-7-6-8-24(26)18-32(43)39(47)48-34-13-10-25-19-30-29-11-12-33(45)37-40(29,14-15-42(30)5)35(25)36(34)49-37/h6-13,16-17,25,29-33,35,37,44-45H,14-15,18-21H2,1-5H3/t25?,29-,30+,31-,32-,33-,35?,37-,40-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting |
Eur J Med Chem 46: 799-803 (2011)
Article DOI: 10.1016/j.ejmech.2010.12.001
BindingDB Entry DOI: 10.7270/Q2CF9R3C |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50378889
(CHEMBL1743605)Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)C2[C@@]34CCN5C |r,c:37,43,49,TLB:53:52:42:44.45.48| Show InChI InChI=1S/C43H52N4O7/c1-24-18-29(48)19-25(2)30(24)22-34(45(3)4)42(52)47-23-28-9-7-6-8-26(28)20-33(47)41(51)44-16-14-37(50)53-36-13-10-27-21-32-31-11-12-35(49)40-43(31,15-17-46(32)5)38(27)39(36)54-40/h6-13,18-19,27,31-35,38,40,48-49H,14-17,20-23H2,1-5H3,(H,44,51)/t27?,31-,32+,33-,34-,35-,38?,40-,43-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting |
Eur J Med Chem 46: 799-803 (2011)
Article DOI: 10.1016/j.ejmech.2010.12.001
BindingDB Entry DOI: 10.7270/Q2CF9R3C |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50378889
(CHEMBL1743605)Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)C2[C@@]34CCN5C |r,c:37,43,49,TLB:53:52:42:44.45.48| Show InChI InChI=1S/C43H52N4O7/c1-24-18-29(48)19-25(2)30(24)22-34(45(3)4)42(52)47-23-28-9-7-6-8-26(28)20-33(47)41(51)44-16-14-37(50)53-36-13-10-27-21-32-31-11-12-35(49)40-43(31,15-17-46(32)5)38(27)39(36)54-40/h6-13,18-19,27,31-35,38,40,48-49H,14-17,20-23H2,1-5H3,(H,44,51)/t27?,31-,32+,33-,34-,35-,38?,40-,43-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari
Curated by ChEMBL
| Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting |
Eur J Med Chem 46: 799-803 (2011)
Article DOI: 10.1016/j.ejmech.2010.12.001
BindingDB Entry DOI: 10.7270/Q2CF9R3C |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50378890
(CHEMBL1743604)Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)C2[C@@]34CCN5C |r,c:32,38,44,TLB:48:47:37:39.40.43| Show InChI InChI=1S/C40H47N3O6/c1-22-16-27(44)17-23(2)28(22)20-31(41(3)4)38(46)43-21-26-9-7-6-8-24(26)18-32(43)39(47)48-34-13-10-25-19-30-29-11-12-33(45)37-40(29,14-15-42(30)5)35(25)36(34)49-37/h6-13,16-17,25,29-33,35,37,44-45H,14-15,18-21H2,1-5H3/t25?,29-,30+,31-,32-,33-,35?,37-,40-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari
Curated by ChEMBL
| Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting |
Eur J Med Chem 46: 799-803 (2011)
Article DOI: 10.1016/j.ejmech.2010.12.001
BindingDB Entry DOI: 10.7270/Q2CF9R3C |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50324028
((S)-2-((S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dime...)Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r| Show InChI InChI=1S/C23H28N2O4/c1-14-9-18(26)10-15(2)19(14)12-20(24(3)4)22(27)25-13-17-8-6-5-7-16(17)11-21(25)23(28)29/h5-10,20-21,26H,11-13H2,1-4H3,(H,28,29)/t20-,21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari
Curated by ChEMBL
| Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting |
Eur J Med Chem 46: 799-803 (2011)
Article DOI: 10.1016/j.ejmech.2010.12.001
BindingDB Entry DOI: 10.7270/Q2CF9R3C |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50378889
(CHEMBL1743605)Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)C2[C@@]34CCN5C |r,c:37,43,49,TLB:53:52:42:44.45.48| Show InChI InChI=1S/C43H52N4O7/c1-24-18-29(48)19-25(2)30(24)22-34(45(3)4)42(52)47-23-28-9-7-6-8-26(28)20-33(47)41(51)44-16-14-37(50)53-36-13-10-27-21-32-31-11-12-35(49)40-43(31,15-17-46(32)5)38(27)39(36)54-40/h6-13,18-19,27,31-35,38,40,48-49H,14-17,20-23H2,1-5H3,(H,44,51)/t27?,31-,32+,33-,34-,35-,38?,40-,43-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting |
Eur J Med Chem 46: 799-803 (2011)
Article DOI: 10.1016/j.ejmech.2010.12.001
BindingDB Entry DOI: 10.7270/Q2CF9R3C |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50378888
(CHEMBL1743603)Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(O)=O |r| Show InChI InChI=1S/C26H33N3O5/c1-16-11-20(30)12-17(2)21(16)14-23(28(3)4)26(34)29-15-19-8-6-5-7-18(19)13-22(29)25(33)27-10-9-24(31)32/h5-8,11-12,22-23,30H,9-10,13-15H2,1-4H3,(H,27,33)(H,31,32)/t22-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari
Curated by ChEMBL
| Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting |
Eur J Med Chem 46: 799-803 (2011)
Article DOI: 10.1016/j.ejmech.2010.12.001
BindingDB Entry DOI: 10.7270/Q2CF9R3C |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50378890
(CHEMBL1743604)Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)C2[C@@]34CCN5C |r,c:32,38,44,TLB:48:47:37:39.40.43| Show InChI InChI=1S/C40H47N3O6/c1-22-16-27(44)17-23(2)28(22)20-31(41(3)4)38(46)43-21-26-9-7-6-8-24(26)18-32(43)39(47)48-34-13-10-25-19-30-29-11-12-33(45)37-40(29,14-15-42(30)5)35(25)36(34)49-37/h6-13,16-17,25,29-33,35,37,44-45H,14-15,18-21H2,1-5H3/t25?,29-,30+,31-,32-,33-,35?,37-,40-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting |
Eur J Med Chem 46: 799-803 (2011)
Article DOI: 10.1016/j.ejmech.2010.12.001
BindingDB Entry DOI: 10.7270/Q2CF9R3C |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50324028
((S)-2-((S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dime...)Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r| Show InChI InChI=1S/C23H28N2O4/c1-14-9-18(26)10-15(2)19(14)12-20(24(3)4)22(27)25-13-17-8-6-5-7-16(17)11-21(25)23(28)29/h5-10,20-21,26H,11-13H2,1-4H3,(H,28,29)/t20-,21-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting |
Eur J Med Chem 46: 799-803 (2011)
Article DOI: 10.1016/j.ejmech.2010.12.001
BindingDB Entry DOI: 10.7270/Q2CF9R3C |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50378888
(CHEMBL1743603)Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(O)=O |r| Show InChI InChI=1S/C26H33N3O5/c1-16-11-20(30)12-17(2)21(16)14-23(28(3)4)26(34)29-15-19-8-6-5-7-18(19)13-22(29)25(33)27-10-9-24(31)32/h5-8,11-12,22-23,30H,9-10,13-15H2,1-4H3,(H,27,33)(H,31,32)/t22-,23-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting |
Eur J Med Chem 46: 799-803 (2011)
Article DOI: 10.1016/j.ejmech.2010.12.001
BindingDB Entry DOI: 10.7270/Q2CF9R3C |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50324028
((S)-2-((S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dime...)Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r| Show InChI InChI=1S/C23H28N2O4/c1-14-9-18(26)10-15(2)19(14)12-20(24(3)4)22(27)25-13-17-8-6-5-7-16(17)11-21(25)23(28)29/h5-10,20-21,26H,11-13H2,1-4H3,(H,28,29)/t20-,21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting |
Eur J Med Chem 46: 799-803 (2011)
Article DOI: 10.1016/j.ejmech.2010.12.001
BindingDB Entry DOI: 10.7270/Q2CF9R3C |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50378888
(CHEMBL1743603)Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(O)=O |r| Show InChI InChI=1S/C26H33N3O5/c1-16-11-20(30)12-17(2)21(16)14-23(28(3)4)26(34)29-15-19-8-6-5-7-18(19)13-22(29)25(33)27-10-9-24(31)32/h5-8,11-12,22-23,30H,9-10,13-15H2,1-4H3,(H,27,33)(H,31,32)/t22-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting |
Eur J Med Chem 46: 799-803 (2011)
Article DOI: 10.1016/j.ejmech.2010.12.001
BindingDB Entry DOI: 10.7270/Q2CF9R3C |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50378889
(CHEMBL1743605)Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)C2[C@@]34CCN5C |r,c:37,43,49,TLB:53:52:42:44.45.48| Show InChI InChI=1S/C43H52N4O7/c1-24-18-29(48)19-25(2)30(24)22-34(45(3)4)42(52)47-23-28-9-7-6-8-26(28)20-33(47)41(51)44-16-14-37(50)53-36-13-10-27-21-32-31-11-12-35(49)40-43(31,15-17-46(32)5)38(27)39(36)54-40/h6-13,18-19,27,31-35,38,40,48-49H,14-17,20-23H2,1-5H3,(H,44,51)/t27?,31-,32+,33-,34-,35-,38?,40-,43-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.810 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari
Curated by ChEMBL
| Assay Description
Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as inhibition of U50488-induced [35S]GTPgammaS binding |
Eur J Med Chem 46: 799-803 (2011)
Article DOI: 10.1016/j.ejmech.2010.12.001
BindingDB Entry DOI: 10.7270/Q2CF9R3C |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50378890
(CHEMBL1743604)Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)C2[C@@]34CCN5C |r,c:32,38,44,TLB:48:47:37:39.40.43| Show InChI InChI=1S/C40H47N3O6/c1-22-16-27(44)17-23(2)28(22)20-31(41(3)4)38(46)43-21-26-9-7-6-8-24(26)18-32(43)39(47)48-34-13-10-25-19-30-29-11-12-33(45)37-40(29,14-15-42(30)5)35(25)36(34)49-37/h6-13,16-17,25,29-33,35,37,44-45H,14-15,18-21H2,1-5H3/t25?,29-,30+,31-,32-,33-,35?,37-,40-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari
Curated by ChEMBL
| Assay Description
Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as inhibition of U50488-induced [35S]GTPgammaS binding |
Eur J Med Chem 46: 799-803 (2011)
Article DOI: 10.1016/j.ejmech.2010.12.001
BindingDB Entry DOI: 10.7270/Q2CF9R3C |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50378890
(CHEMBL1743604)Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)C2[C@@]34CCN5C |r,c:32,38,44,TLB:48:47:37:39.40.43| Show InChI InChI=1S/C40H47N3O6/c1-22-16-27(44)17-23(2)28(22)20-31(41(3)4)38(46)43-21-26-9-7-6-8-24(26)18-32(43)39(47)48-34-13-10-25-19-30-29-11-12-33(45)37-40(29,14-15-42(30)5)35(25)36(34)49-37/h6-13,16-17,25,29-33,35,37,44-45H,14-15,18-21H2,1-5H3/t25?,29-,30+,31-,32-,33-,35?,37-,40-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari
Curated by ChEMBL
| Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Eur J Med Chem 46: 799-803 (2011)
Article DOI: 10.1016/j.ejmech.2010.12.001
BindingDB Entry DOI: 10.7270/Q2CF9R3C |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50378889
(CHEMBL1743605)Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)C2[C@@]34CCN5C |r,c:37,43,49,TLB:53:52:42:44.45.48| Show InChI InChI=1S/C43H52N4O7/c1-24-18-29(48)19-25(2)30(24)22-34(45(3)4)42(52)47-23-28-9-7-6-8-26(28)20-33(47)41(51)44-16-14-37(50)53-36-13-10-27-21-32-31-11-12-35(49)40-43(31,15-17-46(32)5)38(27)39(36)54-40/h6-13,18-19,27,31-35,38,40,48-49H,14-17,20-23H2,1-5H3,(H,44,51)/t27?,31-,32+,33-,34-,35-,38?,40-,43-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari
Curated by ChEMBL
| Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Eur J Med Chem 46: 799-803 (2011)
Article DOI: 10.1016/j.ejmech.2010.12.001
BindingDB Entry DOI: 10.7270/Q2CF9R3C |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50378890
(CHEMBL1743604)Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)C2[C@@]34CCN5C |r,c:32,38,44,TLB:48:47:37:39.40.43| Show InChI InChI=1S/C40H47N3O6/c1-22-16-27(44)17-23(2)28(22)20-31(41(3)4)38(46)43-21-26-9-7-6-8-24(26)18-32(43)39(47)48-34-13-10-25-19-30-29-11-12-33(45)37-40(29,14-15-42(30)5)35(25)36(34)49-37/h6-13,16-17,25,29-33,35,37,44-45H,14-15,18-21H2,1-5H3/t25?,29-,30+,31-,32-,33-,35?,37-,40-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari
Curated by ChEMBL
| Assay Description
Antagonist activity at human kappa opioid receptor expressed in CHO cells assessed as inhibition of SNC80-induced [35S]GTPgammaS binding |
Eur J Med Chem 46: 799-803 (2011)
Article DOI: 10.1016/j.ejmech.2010.12.001
BindingDB Entry DOI: 10.7270/Q2CF9R3C |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50378889
(CHEMBL1743605)Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)C2[C@@]34CCN5C |r,c:37,43,49,TLB:53:52:42:44.45.48| Show InChI InChI=1S/C43H52N4O7/c1-24-18-29(48)19-25(2)30(24)22-34(45(3)4)42(52)47-23-28-9-7-6-8-26(28)20-33(47)41(51)44-16-14-37(50)53-36-13-10-27-21-32-31-11-12-35(49)40-43(31,15-17-46(32)5)38(27)39(36)54-40/h6-13,18-19,27,31-35,38,40,48-49H,14-17,20-23H2,1-5H3,(H,44,51)/t27?,31-,32+,33-,34-,35-,38?,40-,43-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
University of Cagliari
Curated by ChEMBL
| Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Eur J Med Chem 46: 799-803 (2011)
Article DOI: 10.1016/j.ejmech.2010.12.001
BindingDB Entry DOI: 10.7270/Q2CF9R3C |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50378889
(CHEMBL1743605)Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)C2[C@@]34CCN5C |r,c:37,43,49,TLB:53:52:42:44.45.48| Show InChI InChI=1S/C43H52N4O7/c1-24-18-29(48)19-25(2)30(24)22-34(45(3)4)42(52)47-23-28-9-7-6-8-26(28)20-33(47)41(51)44-16-14-37(50)53-36-13-10-27-21-32-31-11-12-35(49)40-43(31,15-17-46(32)5)38(27)39(36)54-40/h6-13,18-19,27,31-35,38,40,48-49H,14-17,20-23H2,1-5H3,(H,44,51)/t27?,31-,32+,33-,34-,35-,38?,40-,43-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 29 | n/a | n/a | n/a | n/a |
University of Cagliari
Curated by ChEMBL
| Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Eur J Med Chem 46: 799-803 (2011)
Article DOI: 10.1016/j.ejmech.2010.12.001
BindingDB Entry DOI: 10.7270/Q2CF9R3C |
More data for this
Ligand-Target Pair | |
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