Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50031000 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 |
|---|
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50000092
((-)-(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
Reactome pathway
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| Purchase
CHEMBL
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PC sid
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Patents
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| DrugBank
Article
PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human kappa receptor expressed in CHO cells by scintillation counting |
Bioorg Med Chem Lett 20: 418-21 (2010)
Article DOI: 10.1016/j.bmcl.2009.07.119
BindingDB Entry DOI: 10.7270/Q2BG2P4C |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50305087
(21-nitro-8alpha-phenyl-6alpha,14alpha-endo-Ethenot...)Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(C[C@@H](c2cccc(c2)[N+]([O-])=O)[C@]35C=C1)OC |r,wU:7.7,17.38,wD:12.18,29.35,19.22,13.13,c:36,(-7.11,.52,;-5.77,1.29,;-4.43,.52,;-3.1,1.29,;-1.76,.53,;-1.76,-1.02,;-.42,-1.79,;-.42,-3.34,;.91,-4.11,;2.06,-5.14,;-.23,-2.55,;-1.77,-2.55,;-3.1,-3.33,;-4.43,-4.1,;-5.21,-2.35,;-4.43,-1.02,;-3.1,-1.8,;-4.44,-5.64,;-3.09,-6.42,;-1.76,-5.65,;-.43,-6.42,;-.43,-7.96,;.9,-8.73,;2.23,-7.96,;2.23,-6.41,;.9,-5.65,;3.56,-5.63,;4.9,-6.39,;3.56,-4.09,;-1.76,-4.11,;-3.07,-4.1,;-3.07,-5.66,;-5.91,-6.09,;-6.26,-7.59,)| Show InChI InChI=1S/C27H28N2O5/c1-28-12-11-27-22-17-7-8-20(32-2)23(22)34-24(27)25(33-3)9-10-26(27,21(28)14-17)19(15-25)16-5-4-6-18(13-16)29(30)31/h4-10,13,19,21,24H,11-12,14-15H2,1-3H3/t19-,21+,24-,25-,26+,27-/m0/s1 | PDB
Reactome pathway
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
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Similars
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human kappa receptor expressed in CHO cells by scintillation counting |
Bioorg Med Chem Lett 20: 418-21 (2010)
Article DOI: 10.1016/j.bmcl.2009.07.119
BindingDB Entry DOI: 10.7270/Q2BG2P4C |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50000092
((-)-(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
Reactome pathway
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| Article
PubMed
| 76.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat delta receptor expressed in CHO cells by scintillation counting |
Bioorg Med Chem Lett 20: 418-21 (2010)
Article DOI: 10.1016/j.bmcl.2009.07.119
BindingDB Entry DOI: 10.7270/Q2BG2P4C |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50000092
((-)-(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
Reactome pathway
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| Purchase
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| PDB
Article
PubMed
| 117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat mu receptor expressed in CHO cells by scintillation counting |
Bioorg Med Chem Lett 20: 418-21 (2010)
Article DOI: 10.1016/j.bmcl.2009.07.119
BindingDB Entry DOI: 10.7270/Q2BG2P4C |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50305089
(22-nitro-8alpha-phenyl-6alpha,14alpha-endo-Ethenot...)Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(C[C@@H](c2ccc(cc2)[N+]([O-])=O)[C@]35C=C1)OC |r,wU:7.7,17.38,wD:12.18,29.35,19.22,13.13,c:36,(-7.11,.52,;-5.77,1.29,;-4.43,.52,;-3.1,1.29,;-1.76,.53,;-1.76,-1.02,;-.42,-1.79,;-.42,-3.34,;.91,-4.11,;2.06,-5.14,;-.23,-2.55,;-1.77,-2.55,;-3.1,-3.33,;-4.43,-4.1,;-5.21,-2.35,;-4.43,-1.02,;-3.1,-1.8,;-4.44,-5.64,;-3.09,-6.42,;-1.76,-5.65,;-.43,-6.42,;-.43,-7.96,;.9,-8.73,;2.23,-7.96,;2.23,-6.41,;.9,-5.65,;3.57,-8.73,;3.58,-10.27,;4.91,-7.96,;-1.76,-4.11,;-3.01,-4.1,;-3.01,-5.72,;-5.91,-6.09,;-6.26,-7.59,)| Show InChI InChI=1S/C27H28N2O5/c1-28-13-12-27-22-17-6-9-20(32-2)23(22)34-24(27)25(33-3)10-11-26(27,21(28)14-17)19(15-25)16-4-7-18(8-5-16)29(30)31/h4-11,19,21,24H,12-15H2,1-3H3/t19-,21+,24-,25-,26+,27-/m0/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 674 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human kappa receptor expressed in CHO cells by scintillation counting |
Bioorg Med Chem Lett 20: 418-21 (2010)
Article DOI: 10.1016/j.bmcl.2009.07.119
BindingDB Entry DOI: 10.7270/Q2BG2P4C |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50305084
(7alpha-phenyl-6alpha,14alpha-endo-Ethenotetrahydro...)Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(OC)C=C[C@@]35C[C@@H]1c1ccccc1 |r,wU:7.7,17.20,wD:13.13,12.18,22.24,24.30,c:23,(-7.92,.41,;-6.59,1.18,;-5.24,.4,;-3.92,1.18,;-2.58,.41,;-2.58,-1.14,;-1.24,-1.9,;-1.24,-3.45,;.09,-4.23,;1.24,-5.25,;-1.05,-2.67,;-2.59,-2.67,;-3.91,-3.45,;-5.25,-4.22,;-6.03,-2.47,;-5.25,-1.14,;-3.92,-1.91,;-5.25,-5.76,;-6.73,-6.21,;-7.08,-7.71,;-3.83,-5.78,;-3.95,-4.22,;-2.58,-4.23,;-2.58,-5.76,;-3.91,-6.54,;-3.91,-8.08,;-5.25,-8.84,;-5.25,-10.38,;-3.91,-11.15,;-2.57,-10.37,;-2.58,-8.83,)| Show InChI InChI=1S/C27H29NO3/c1-28-14-13-26-22-18-9-10-20(29-2)23(22)31-24(26)27(30-3)12-11-25(26,21(28)15-18)16-19(27)17-7-5-4-6-8-17/h4-12,19,21,24H,13-16H2,1-3H3/t19-,21-,24-,25-,26+,27+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human kappa receptor expressed in CHO cells by scintillation counting |
Bioorg Med Chem Lett 20: 418-21 (2010)
Article DOI: 10.1016/j.bmcl.2009.07.119
BindingDB Entry DOI: 10.7270/Q2BG2P4C |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50305085
(8alpha-phenyl-6alpha,14alpha-endo-Ethenotetrahydro...)Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(C[C@@H](c2ccccc2)[C@]35C=C1)OC |r,wU:7.7,17.35,wD:13.13,12.18,26.32,19.22,c:33,(-7.92,.41,;-6.59,1.18,;-5.24,.4,;-3.92,1.17,;-2.58,.41,;-2.58,-1.14,;-1.24,-1.9,;-1.24,-3.45,;.09,-4.22,;1.24,-5.25,;-1.05,-2.67,;-2.59,-2.67,;-3.91,-3.45,;-5.25,-4.22,;-6.03,-2.47,;-5.25,-1.14,;-3.91,-1.91,;-5.25,-5.76,;-3.91,-6.53,;-2.58,-5.76,;-1.25,-6.53,;-1.25,-8.07,;.08,-8.84,;1.42,-8.07,;1.41,-6.53,;.08,-5.76,;-2.58,-4.23,;-3.89,-4.21,;-3.89,-5.84,;-6.73,-6.21,;-7.07,-7.71,)| Show InChI InChI=1S/C27H29NO3/c1-28-14-13-27-22-18-9-10-20(29-2)23(22)31-24(27)25(30-3)11-12-26(27,21(28)15-18)19(16-25)17-7-5-4-6-8-17/h4-12,19,21,24H,13-16H2,1-3H3/t19-,21+,24-,25-,26+,27-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human kappa receptor expressed in CHO cells by scintillation counting |
Bioorg Med Chem Lett 20: 418-21 (2010)
Article DOI: 10.1016/j.bmcl.2009.07.119
BindingDB Entry DOI: 10.7270/Q2BG2P4C |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50305089
(22-nitro-8alpha-phenyl-6alpha,14alpha-endo-Ethenot...)Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(C[C@@H](c2ccc(cc2)[N+]([O-])=O)[C@]35C=C1)OC |r,wU:7.7,17.38,wD:12.18,29.35,19.22,13.13,c:36,(-7.11,.52,;-5.77,1.29,;-4.43,.52,;-3.1,1.29,;-1.76,.53,;-1.76,-1.02,;-.42,-1.79,;-.42,-3.34,;.91,-4.11,;2.06,-5.14,;-.23,-2.55,;-1.77,-2.55,;-3.1,-3.33,;-4.43,-4.1,;-5.21,-2.35,;-4.43,-1.02,;-3.1,-1.8,;-4.44,-5.64,;-3.09,-6.42,;-1.76,-5.65,;-.43,-6.42,;-.43,-7.96,;.9,-8.73,;2.23,-7.96,;2.23,-6.41,;.9,-5.65,;3.57,-8.73,;3.58,-10.27,;4.91,-7.96,;-1.76,-4.11,;-3.01,-4.1,;-3.01,-5.72,;-5.91,-6.09,;-6.26,-7.59,)| Show InChI InChI=1S/C27H28N2O5/c1-28-13-12-27-22-17-6-9-20(32-2)23(22)34-24(27)25(33-3)10-11-26(27,21(28)14-17)19(15-25)16-4-7-18(8-5-16)29(30)31/h4-11,19,21,24H,12-15H2,1-3H3/t19-,21+,24-,25-,26+,27-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Fudan University
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat mu receptor expressed in CHO cells by scintillation counting |
Bioorg Med Chem Lett 20: 418-21 (2010)
Article DOI: 10.1016/j.bmcl.2009.07.119
BindingDB Entry DOI: 10.7270/Q2BG2P4C |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50305087
(21-nitro-8alpha-phenyl-6alpha,14alpha-endo-Ethenot...)Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(C[C@@H](c2cccc(c2)[N+]([O-])=O)[C@]35C=C1)OC |r,wU:7.7,17.38,wD:12.18,29.35,19.22,13.13,c:36,(-7.11,.52,;-5.77,1.29,;-4.43,.52,;-3.1,1.29,;-1.76,.53,;-1.76,-1.02,;-.42,-1.79,;-.42,-3.34,;.91,-4.11,;2.06,-5.14,;-.23,-2.55,;-1.77,-2.55,;-3.1,-3.33,;-4.43,-4.1,;-5.21,-2.35,;-4.43,-1.02,;-3.1,-1.8,;-4.44,-5.64,;-3.09,-6.42,;-1.76,-5.65,;-.43,-6.42,;-.43,-7.96,;.9,-8.73,;2.23,-7.96,;2.23,-6.41,;.9,-5.65,;3.56,-5.63,;4.9,-6.39,;3.56,-4.09,;-1.76,-4.11,;-3.07,-4.1,;-3.07,-5.66,;-5.91,-6.09,;-6.26,-7.59,)| Show InChI InChI=1S/C27H28N2O5/c1-28-12-11-27-22-17-7-8-20(32-2)23(22)34-24(27)25(33-3)9-10-26(27,21(28)14-17)19(15-25)16-5-4-6-18(13-16)29(30)31/h4-10,13,19,21,24H,11-12,14-15H2,1-3H3/t19-,21+,24-,25-,26+,27-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Fudan University
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat mu receptor expressed in CHO cells by scintillation counting |
Bioorg Med Chem Lett 20: 418-21 (2010)
Article DOI: 10.1016/j.bmcl.2009.07.119
BindingDB Entry DOI: 10.7270/Q2BG2P4C |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50305086
(21-nitro-7alpha-phenyl-6alpha,14alpha-endo-Ethenot...)Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(OC)C=C[C@@]35C[C@@H]1c1cccc(c1)[N+]([O-])=O |r,wU:7.7,17.20,wD:12.18,22.24,24.30,13.13,c:23,(-7.57,-14.62,;-6.24,-13.85,;-4.89,-14.63,;-3.57,-13.86,;-2.23,-14.62,;-2.23,-16.17,;-.89,-16.94,;-.89,-18.49,;.44,-19.26,;1.59,-20.28,;-.7,-17.7,;-2.24,-17.7,;-3.56,-18.48,;-4.9,-19.25,;-5.68,-17.5,;-4.9,-16.17,;-3.56,-16.94,;-4.9,-20.79,;-6.37,-21.24,;-6.72,-22.74,;-3.53,-20.81,;-3.54,-19.25,;-2.23,-19.26,;-2.23,-20.79,;-3.56,-21.57,;-3.56,-23.11,;-4.9,-23.87,;-4.89,-25.41,;-3.56,-26.18,;-2.22,-25.4,;-2.23,-23.86,;-.88,-26.16,;-.88,-27.7,;.45,-25.39,)| Show InChI InChI=1S/C27H28N2O5/c1-28-12-11-26-22-17-7-8-20(32-2)23(22)34-24(26)27(33-3)10-9-25(26,21(28)14-17)15-19(27)16-5-4-6-18(13-16)29(30)31/h4-10,13,19,21,24H,11-12,14-15H2,1-3H3/t19-,21-,24-,25-,26+,27+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Fudan University
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat mu receptor expressed in CHO cells by scintillation counting |
Bioorg Med Chem Lett 20: 418-21 (2010)
Article DOI: 10.1016/j.bmcl.2009.07.119
BindingDB Entry DOI: 10.7270/Q2BG2P4C |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50305085
(8alpha-phenyl-6alpha,14alpha-endo-Ethenotetrahydro...)Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(C[C@@H](c2ccccc2)[C@]35C=C1)OC |r,wU:7.7,17.35,wD:13.13,12.18,26.32,19.22,c:33,(-7.92,.41,;-6.59,1.18,;-5.24,.4,;-3.92,1.17,;-2.58,.41,;-2.58,-1.14,;-1.24,-1.9,;-1.24,-3.45,;.09,-4.22,;1.24,-5.25,;-1.05,-2.67,;-2.59,-2.67,;-3.91,-3.45,;-5.25,-4.22,;-6.03,-2.47,;-5.25,-1.14,;-3.91,-1.91,;-5.25,-5.76,;-3.91,-6.53,;-2.58,-5.76,;-1.25,-6.53,;-1.25,-8.07,;.08,-8.84,;1.42,-8.07,;1.41,-6.53,;.08,-5.76,;-2.58,-4.23,;-3.89,-4.21,;-3.89,-5.84,;-6.73,-6.21,;-7.07,-7.71,)| Show InChI InChI=1S/C27H29NO3/c1-28-14-13-27-22-18-9-10-20(29-2)23(22)31-24(27)25(30-3)11-12-26(27,21(28)15-18)19(16-25)17-7-5-4-6-8-17/h4-12,19,21,24H,13-16H2,1-3H3/t19-,21+,24-,25-,26+,27-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Fudan University
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat mu receptor expressed in CHO cells by scintillation counting |
Bioorg Med Chem Lett 20: 418-21 (2010)
Article DOI: 10.1016/j.bmcl.2009.07.119
BindingDB Entry DOI: 10.7270/Q2BG2P4C |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50305084
(7alpha-phenyl-6alpha,14alpha-endo-Ethenotetrahydro...)Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(OC)C=C[C@@]35C[C@@H]1c1ccccc1 |r,wU:7.7,17.20,wD:13.13,12.18,22.24,24.30,c:23,(-7.92,.41,;-6.59,1.18,;-5.24,.4,;-3.92,1.18,;-2.58,.41,;-2.58,-1.14,;-1.24,-1.9,;-1.24,-3.45,;.09,-4.23,;1.24,-5.25,;-1.05,-2.67,;-2.59,-2.67,;-3.91,-3.45,;-5.25,-4.22,;-6.03,-2.47,;-5.25,-1.14,;-3.92,-1.91,;-5.25,-5.76,;-6.73,-6.21,;-7.08,-7.71,;-3.83,-5.78,;-3.95,-4.22,;-2.58,-4.23,;-2.58,-5.76,;-3.91,-6.54,;-3.91,-8.08,;-5.25,-8.84,;-5.25,-10.38,;-3.91,-11.15,;-2.57,-10.37,;-2.58,-8.83,)| Show InChI InChI=1S/C27H29NO3/c1-28-14-13-26-22-18-9-10-20(29-2)23(22)31-24(26)27(30-3)12-11-25(26,21(28)15-18)16-19(27)17-7-5-4-6-8-17/h4-12,19,21,24H,13-16H2,1-3H3/t19-,21-,24-,25-,26+,27+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Fudan University
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat mu receptor expressed in CHO cells by scintillation counting |
Bioorg Med Chem Lett 20: 418-21 (2010)
Article DOI: 10.1016/j.bmcl.2009.07.119
BindingDB Entry DOI: 10.7270/Q2BG2P4C |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50305088
(22-nitro-7apha-phenyl-6alpha,14alpha-endo-Ethenote...)Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(OC)C=C[C@@]35C[C@@H]1c1ccc(cc1)[N+]([O-])=O |r,wU:7.7,17.20,wD:12.18,22.24,24.30,13.13,c:23,(-7.57,-14.63,;-6.24,-13.86,;-4.89,-14.63,;-3.57,-13.86,;-2.23,-14.62,;-2.23,-16.17,;-.89,-16.94,;-.89,-18.49,;.44,-19.26,;1.59,-20.29,;-.7,-17.7,;-2.24,-17.7,;-3.56,-18.48,;-4.9,-19.25,;-5.68,-17.5,;-4.9,-16.17,;-3.56,-16.95,;-4.9,-20.79,;-6.38,-21.24,;-6.72,-22.74,;-3.48,-20.81,;-3.54,-19.25,;-2.23,-19.26,;-2.23,-20.8,;-3.56,-21.57,;-3.56,-23.11,;-4.9,-23.87,;-4.9,-25.41,;-3.56,-26.18,;-2.22,-25.4,;-2.23,-23.87,;-3.55,-27.73,;-4.88,-28.5,;-2.22,-28.49,)| Show InChI InChI=1S/C27H28N2O5/c1-28-13-12-26-22-17-6-9-20(32-2)23(22)34-24(26)27(33-3)11-10-25(26,21(28)14-17)15-19(27)16-4-7-18(8-5-16)29(30)31/h4-11,19,21,24H,12-15H2,1-3H3/t19-,21-,24-,25-,26+,27+/m1/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 |
Fudan University
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human kappa receptor expressed in CHO cells by scintillation counting |
Bioorg Med Chem Lett 20: 418-21 (2010)
Article DOI: 10.1016/j.bmcl.2009.07.119
BindingDB Entry DOI: 10.7270/Q2BG2P4C |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50305086
(21-nitro-7alpha-phenyl-6alpha,14alpha-endo-Ethenot...)Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(OC)C=C[C@@]35C[C@@H]1c1cccc(c1)[N+]([O-])=O |r,wU:7.7,17.20,wD:12.18,22.24,24.30,13.13,c:23,(-7.57,-14.62,;-6.24,-13.85,;-4.89,-14.63,;-3.57,-13.86,;-2.23,-14.62,;-2.23,-16.17,;-.89,-16.94,;-.89,-18.49,;.44,-19.26,;1.59,-20.28,;-.7,-17.7,;-2.24,-17.7,;-3.56,-18.48,;-4.9,-19.25,;-5.68,-17.5,;-4.9,-16.17,;-3.56,-16.94,;-4.9,-20.79,;-6.37,-21.24,;-6.72,-22.74,;-3.53,-20.81,;-3.54,-19.25,;-2.23,-19.26,;-2.23,-20.79,;-3.56,-21.57,;-3.56,-23.11,;-4.9,-23.87,;-4.89,-25.41,;-3.56,-26.18,;-2.22,-25.4,;-2.23,-23.86,;-.88,-26.16,;-.88,-27.7,;.45,-25.39,)| Show InChI InChI=1S/C27H28N2O5/c1-28-12-11-26-22-17-7-8-20(32-2)23(22)34-24(26)27(33-3)10-9-25(26,21(28)14-17)15-19(27)16-5-4-6-18(13-16)29(30)31/h4-10,13,19,21,24H,11-12,14-15H2,1-3H3/t19-,21-,24-,25-,26+,27+/m1/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 |
Fudan University
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human kappa receptor expressed in CHO cells by scintillation counting |
Bioorg Med Chem Lett 20: 418-21 (2010)
Article DOI: 10.1016/j.bmcl.2009.07.119
BindingDB Entry DOI: 10.7270/Q2BG2P4C |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50305088
(22-nitro-7apha-phenyl-6alpha,14alpha-endo-Ethenote...)Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(OC)C=C[C@@]35C[C@@H]1c1ccc(cc1)[N+]([O-])=O |r,wU:7.7,17.20,wD:12.18,22.24,24.30,13.13,c:23,(-7.57,-14.63,;-6.24,-13.86,;-4.89,-14.63,;-3.57,-13.86,;-2.23,-14.62,;-2.23,-16.17,;-.89,-16.94,;-.89,-18.49,;.44,-19.26,;1.59,-20.29,;-.7,-17.7,;-2.24,-17.7,;-3.56,-18.48,;-4.9,-19.25,;-5.68,-17.5,;-4.9,-16.17,;-3.56,-16.95,;-4.9,-20.79,;-6.38,-21.24,;-6.72,-22.74,;-3.48,-20.81,;-3.54,-19.25,;-2.23,-19.26,;-2.23,-20.8,;-3.56,-21.57,;-3.56,-23.11,;-4.9,-23.87,;-4.9,-25.41,;-3.56,-26.18,;-2.22,-25.4,;-2.23,-23.87,;-3.55,-27.73,;-4.88,-28.5,;-2.22,-28.49,)| Show InChI InChI=1S/C27H28N2O5/c1-28-13-12-26-22-17-6-9-20(32-2)23(22)34-24(26)27(33-3)11-10-25(26,21(28)14-17)15-19(27)16-4-7-18(8-5-16)29(30)31/h4-11,19,21,24H,12-15H2,1-3H3/t19-,21-,24-,25-,26+,27+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Fudan University
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat mu receptor expressed in CHO cells by scintillation counting |
Bioorg Med Chem Lett 20: 418-21 (2010)
Article DOI: 10.1016/j.bmcl.2009.07.119
BindingDB Entry DOI: 10.7270/Q2BG2P4C |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50305089
(22-nitro-8alpha-phenyl-6alpha,14alpha-endo-Ethenot...)Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(C[C@@H](c2ccc(cc2)[N+]([O-])=O)[C@]35C=C1)OC |r,wU:7.7,17.38,wD:12.18,29.35,19.22,13.13,c:36,(-7.11,.52,;-5.77,1.29,;-4.43,.52,;-3.1,1.29,;-1.76,.53,;-1.76,-1.02,;-.42,-1.79,;-.42,-3.34,;.91,-4.11,;2.06,-5.14,;-.23,-2.55,;-1.77,-2.55,;-3.1,-3.33,;-4.43,-4.1,;-5.21,-2.35,;-4.43,-1.02,;-3.1,-1.8,;-4.44,-5.64,;-3.09,-6.42,;-1.76,-5.65,;-.43,-6.42,;-.43,-7.96,;.9,-8.73,;2.23,-7.96,;2.23,-6.41,;.9,-5.65,;3.57,-8.73,;3.58,-10.27,;4.91,-7.96,;-1.76,-4.11,;-3.01,-4.1,;-3.01,-5.72,;-5.91,-6.09,;-6.26,-7.59,)| Show InChI InChI=1S/C27H28N2O5/c1-28-13-12-27-22-17-6-9-20(32-2)23(22)34-24(27)25(33-3)10-11-26(27,21(28)14-17)19(15-25)16-4-7-18(8-5-16)29(30)31/h4-11,19,21,24H,12-15H2,1-3H3/t19-,21+,24-,25-,26+,27-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Fudan University
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat delta receptor expressed in CHO cells by scintillation counting |
Bioorg Med Chem Lett 20: 418-21 (2010)
Article DOI: 10.1016/j.bmcl.2009.07.119
BindingDB Entry DOI: 10.7270/Q2BG2P4C |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50305088
(22-nitro-7apha-phenyl-6alpha,14alpha-endo-Ethenote...)Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(OC)C=C[C@@]35C[C@@H]1c1ccc(cc1)[N+]([O-])=O |r,wU:7.7,17.20,wD:12.18,22.24,24.30,13.13,c:23,(-7.57,-14.63,;-6.24,-13.86,;-4.89,-14.63,;-3.57,-13.86,;-2.23,-14.62,;-2.23,-16.17,;-.89,-16.94,;-.89,-18.49,;.44,-19.26,;1.59,-20.29,;-.7,-17.7,;-2.24,-17.7,;-3.56,-18.48,;-4.9,-19.25,;-5.68,-17.5,;-4.9,-16.17,;-3.56,-16.95,;-4.9,-20.79,;-6.38,-21.24,;-6.72,-22.74,;-3.48,-20.81,;-3.54,-19.25,;-2.23,-19.26,;-2.23,-20.8,;-3.56,-21.57,;-3.56,-23.11,;-4.9,-23.87,;-4.9,-25.41,;-3.56,-26.18,;-2.22,-25.4,;-2.23,-23.87,;-3.55,-27.73,;-4.88,-28.5,;-2.22,-28.49,)| Show InChI InChI=1S/C27H28N2O5/c1-28-13-12-26-22-17-6-9-20(32-2)23(22)34-24(26)27(33-3)11-10-25(26,21(28)14-17)15-19(27)16-4-7-18(8-5-16)29(30)31/h4-11,19,21,24H,12-15H2,1-3H3/t19-,21-,24-,25-,26+,27+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Fudan University
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat delta receptor expressed in CHO cells by scintillation counting |
Bioorg Med Chem Lett 20: 418-21 (2010)
Article DOI: 10.1016/j.bmcl.2009.07.119
BindingDB Entry DOI: 10.7270/Q2BG2P4C |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50305087
(21-nitro-8alpha-phenyl-6alpha,14alpha-endo-Ethenot...)Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(C[C@@H](c2cccc(c2)[N+]([O-])=O)[C@]35C=C1)OC |r,wU:7.7,17.38,wD:12.18,29.35,19.22,13.13,c:36,(-7.11,.52,;-5.77,1.29,;-4.43,.52,;-3.1,1.29,;-1.76,.53,;-1.76,-1.02,;-.42,-1.79,;-.42,-3.34,;.91,-4.11,;2.06,-5.14,;-.23,-2.55,;-1.77,-2.55,;-3.1,-3.33,;-4.43,-4.1,;-5.21,-2.35,;-4.43,-1.02,;-3.1,-1.8,;-4.44,-5.64,;-3.09,-6.42,;-1.76,-5.65,;-.43,-6.42,;-.43,-7.96,;.9,-8.73,;2.23,-7.96,;2.23,-6.41,;.9,-5.65,;3.56,-5.63,;4.9,-6.39,;3.56,-4.09,;-1.76,-4.11,;-3.07,-4.1,;-3.07,-5.66,;-5.91,-6.09,;-6.26,-7.59,)| Show InChI InChI=1S/C27H28N2O5/c1-28-12-11-27-22-17-7-8-20(32-2)23(22)34-24(27)25(33-3)9-10-26(27,21(28)14-17)19(15-25)16-5-4-6-18(13-16)29(30)31/h4-10,13,19,21,24H,11-12,14-15H2,1-3H3/t19-,21+,24-,25-,26+,27-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Fudan University
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat delta receptor expressed in CHO cells by scintillation counting |
Bioorg Med Chem Lett 20: 418-21 (2010)
Article DOI: 10.1016/j.bmcl.2009.07.119
BindingDB Entry DOI: 10.7270/Q2BG2P4C |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50305086
(21-nitro-7alpha-phenyl-6alpha,14alpha-endo-Ethenot...)Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(OC)C=C[C@@]35C[C@@H]1c1cccc(c1)[N+]([O-])=O |r,wU:7.7,17.20,wD:12.18,22.24,24.30,13.13,c:23,(-7.57,-14.62,;-6.24,-13.85,;-4.89,-14.63,;-3.57,-13.86,;-2.23,-14.62,;-2.23,-16.17,;-.89,-16.94,;-.89,-18.49,;.44,-19.26,;1.59,-20.28,;-.7,-17.7,;-2.24,-17.7,;-3.56,-18.48,;-4.9,-19.25,;-5.68,-17.5,;-4.9,-16.17,;-3.56,-16.94,;-4.9,-20.79,;-6.37,-21.24,;-6.72,-22.74,;-3.53,-20.81,;-3.54,-19.25,;-2.23,-19.26,;-2.23,-20.79,;-3.56,-21.57,;-3.56,-23.11,;-4.9,-23.87,;-4.89,-25.41,;-3.56,-26.18,;-2.22,-25.4,;-2.23,-23.86,;-.88,-26.16,;-.88,-27.7,;.45,-25.39,)| Show InChI InChI=1S/C27H28N2O5/c1-28-12-11-26-22-17-7-8-20(32-2)23(22)34-24(26)27(33-3)10-9-25(26,21(28)14-17)15-19(27)16-5-4-6-18(13-16)29(30)31/h4-10,13,19,21,24H,11-12,14-15H2,1-3H3/t19-,21-,24-,25-,26+,27+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Fudan University
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat delta receptor expressed in CHO cells by scintillation counting |
Bioorg Med Chem Lett 20: 418-21 (2010)
Article DOI: 10.1016/j.bmcl.2009.07.119
BindingDB Entry DOI: 10.7270/Q2BG2P4C |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50305084
(7alpha-phenyl-6alpha,14alpha-endo-Ethenotetrahydro...)Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(OC)C=C[C@@]35C[C@@H]1c1ccccc1 |r,wU:7.7,17.20,wD:13.13,12.18,22.24,24.30,c:23,(-7.92,.41,;-6.59,1.18,;-5.24,.4,;-3.92,1.18,;-2.58,.41,;-2.58,-1.14,;-1.24,-1.9,;-1.24,-3.45,;.09,-4.23,;1.24,-5.25,;-1.05,-2.67,;-2.59,-2.67,;-3.91,-3.45,;-5.25,-4.22,;-6.03,-2.47,;-5.25,-1.14,;-3.92,-1.91,;-5.25,-5.76,;-6.73,-6.21,;-7.08,-7.71,;-3.83,-5.78,;-3.95,-4.22,;-2.58,-4.23,;-2.58,-5.76,;-3.91,-6.54,;-3.91,-8.08,;-5.25,-8.84,;-5.25,-10.38,;-3.91,-11.15,;-2.57,-10.37,;-2.58,-8.83,)| Show InChI InChI=1S/C27H29NO3/c1-28-14-13-26-22-18-9-10-20(29-2)23(22)31-24(26)27(30-3)12-11-25(26,21(28)15-18)16-19(27)17-7-5-4-6-8-17/h4-12,19,21,24H,13-16H2,1-3H3/t19-,21-,24-,25-,26+,27+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Fudan University
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat delta receptor expressed in CHO cells by scintillation counting |
Bioorg Med Chem Lett 20: 418-21 (2010)
Article DOI: 10.1016/j.bmcl.2009.07.119
BindingDB Entry DOI: 10.7270/Q2BG2P4C |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50305085
(8alpha-phenyl-6alpha,14alpha-endo-Ethenotetrahydro...)Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(C[C@@H](c2ccccc2)[C@]35C=C1)OC |r,wU:7.7,17.35,wD:13.13,12.18,26.32,19.22,c:33,(-7.92,.41,;-6.59,1.18,;-5.24,.4,;-3.92,1.17,;-2.58,.41,;-2.58,-1.14,;-1.24,-1.9,;-1.24,-3.45,;.09,-4.22,;1.24,-5.25,;-1.05,-2.67,;-2.59,-2.67,;-3.91,-3.45,;-5.25,-4.22,;-6.03,-2.47,;-5.25,-1.14,;-3.91,-1.91,;-5.25,-5.76,;-3.91,-6.53,;-2.58,-5.76,;-1.25,-6.53,;-1.25,-8.07,;.08,-8.84,;1.42,-8.07,;1.41,-6.53,;.08,-5.76,;-2.58,-4.23,;-3.89,-4.21,;-3.89,-5.84,;-6.73,-6.21,;-7.07,-7.71,)| Show InChI InChI=1S/C27H29NO3/c1-28-14-13-27-22-18-9-10-20(29-2)23(22)31-24(27)25(30-3)11-12-26(27,21(28)15-18)19(16-25)17-7-5-4-6-8-17/h4-12,19,21,24H,13-16H2,1-3H3/t19-,21+,24-,25-,26+,27-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Fudan University
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat delta receptor expressed in CHO cells by scintillation counting |
Bioorg Med Chem Lett 20: 418-21 (2010)
Article DOI: 10.1016/j.bmcl.2009.07.119
BindingDB Entry DOI: 10.7270/Q2BG2P4C |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50305084
(7alpha-phenyl-6alpha,14alpha-endo-Ethenotetrahydro...)Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(OC)C=C[C@@]35C[C@@H]1c1ccccc1 |r,wU:7.7,17.20,wD:13.13,12.18,22.24,24.30,c:23,(-7.92,.41,;-6.59,1.18,;-5.24,.4,;-3.92,1.18,;-2.58,.41,;-2.58,-1.14,;-1.24,-1.9,;-1.24,-3.45,;.09,-4.23,;1.24,-5.25,;-1.05,-2.67,;-2.59,-2.67,;-3.91,-3.45,;-5.25,-4.22,;-6.03,-2.47,;-5.25,-1.14,;-3.92,-1.91,;-5.25,-5.76,;-6.73,-6.21,;-7.08,-7.71,;-3.83,-5.78,;-3.95,-4.22,;-2.58,-4.23,;-2.58,-5.76,;-3.91,-6.54,;-3.91,-8.08,;-5.25,-8.84,;-5.25,-10.38,;-3.91,-11.15,;-2.57,-10.37,;-2.58,-8.83,)| Show InChI InChI=1S/C27H29NO3/c1-28-14-13-26-22-18-9-10-20(29-2)23(22)31-24(26)27(30-3)12-11-25(26,21(28)15-18)16-19(27)17-7-5-4-6-8-17/h4-12,19,21,24H,13-16H2,1-3H3/t19-,21-,24-,25-,26+,27+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Agonist activity at rat mu opioid receptor assessed as stimulation of [35]SGTPgammaS binding |
Bioorg Med Chem Lett 20: 418-21 (2010)
Article DOI: 10.1016/j.bmcl.2009.07.119
BindingDB Entry DOI: 10.7270/Q2BG2P4C |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50000092
((-)-(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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 124 | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Agonist activity at rat mu opioid receptor assessed as stimulation of [35]SGTPgammaS binding |
Bioorg Med Chem Lett 20: 418-21 (2010)
Article DOI: 10.1016/j.bmcl.2009.07.119
BindingDB Entry DOI: 10.7270/Q2BG2P4C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50305087
(21-nitro-8alpha-phenyl-6alpha,14alpha-endo-Ethenot...)Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(C[C@@H](c2cccc(c2)[N+]([O-])=O)[C@]35C=C1)OC |r,wU:7.7,17.38,wD:12.18,29.35,19.22,13.13,c:36,(-7.11,.52,;-5.77,1.29,;-4.43,.52,;-3.1,1.29,;-1.76,.53,;-1.76,-1.02,;-.42,-1.79,;-.42,-3.34,;.91,-4.11,;2.06,-5.14,;-.23,-2.55,;-1.77,-2.55,;-3.1,-3.33,;-4.43,-4.1,;-5.21,-2.35,;-4.43,-1.02,;-3.1,-1.8,;-4.44,-5.64,;-3.09,-6.42,;-1.76,-5.65,;-.43,-6.42,;-.43,-7.96,;.9,-8.73,;2.23,-7.96,;2.23,-6.41,;.9,-5.65,;3.56,-5.63,;4.9,-6.39,;3.56,-4.09,;-1.76,-4.11,;-3.07,-4.1,;-3.07,-5.66,;-5.91,-6.09,;-6.26,-7.59,)| Show InChI InChI=1S/C27H28N2O5/c1-28-12-11-27-22-17-7-8-20(32-2)23(22)34-24(27)25(33-3)9-10-26(27,21(28)14-17)19(15-25)16-5-4-6-18(13-16)29(30)31/h4-10,13,19,21,24H,11-12,14-15H2,1-3H3/t19-,21+,24-,25-,26+,27-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 302 | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Agonist activity at rat mu opioid receptor assessed as stimulation of [35]SGTPgammaS binding |
Bioorg Med Chem Lett 20: 418-21 (2010)
Article DOI: 10.1016/j.bmcl.2009.07.119
BindingDB Entry DOI: 10.7270/Q2BG2P4C |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50305085
(8alpha-phenyl-6alpha,14alpha-endo-Ethenotetrahydro...)Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(C[C@@H](c2ccccc2)[C@]35C=C1)OC |r,wU:7.7,17.35,wD:13.13,12.18,26.32,19.22,c:33,(-7.92,.41,;-6.59,1.18,;-5.24,.4,;-3.92,1.17,;-2.58,.41,;-2.58,-1.14,;-1.24,-1.9,;-1.24,-3.45,;.09,-4.22,;1.24,-5.25,;-1.05,-2.67,;-2.59,-2.67,;-3.91,-3.45,;-5.25,-4.22,;-6.03,-2.47,;-5.25,-1.14,;-3.91,-1.91,;-5.25,-5.76,;-3.91,-6.53,;-2.58,-5.76,;-1.25,-6.53,;-1.25,-8.07,;.08,-8.84,;1.42,-8.07,;1.41,-6.53,;.08,-5.76,;-2.58,-4.23,;-3.89,-4.21,;-3.89,-5.84,;-6.73,-6.21,;-7.07,-7.71,)| Show InChI InChI=1S/C27H29NO3/c1-28-14-13-27-22-18-9-10-20(29-2)23(22)31-24(27)25(30-3)11-12-26(27,21(28)15-18)19(16-25)17-7-5-4-6-8-17/h4-12,19,21,24H,13-16H2,1-3H3/t19-,21+,24-,25-,26+,27-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Agonist activity at rat mu opioid receptor assessed as stimulation of [35]SGTPgammaS binding |
Bioorg Med Chem Lett 20: 418-21 (2010)
Article DOI: 10.1016/j.bmcl.2009.07.119
BindingDB Entry DOI: 10.7270/Q2BG2P4C |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50305089
(22-nitro-8alpha-phenyl-6alpha,14alpha-endo-Ethenot...)Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(C[C@@H](c2ccc(cc2)[N+]([O-])=O)[C@]35C=C1)OC |r,wU:7.7,17.38,wD:12.18,29.35,19.22,13.13,c:36,(-7.11,.52,;-5.77,1.29,;-4.43,.52,;-3.1,1.29,;-1.76,.53,;-1.76,-1.02,;-.42,-1.79,;-.42,-3.34,;.91,-4.11,;2.06,-5.14,;-.23,-2.55,;-1.77,-2.55,;-3.1,-3.33,;-4.43,-4.1,;-5.21,-2.35,;-4.43,-1.02,;-3.1,-1.8,;-4.44,-5.64,;-3.09,-6.42,;-1.76,-5.65,;-.43,-6.42,;-.43,-7.96,;.9,-8.73,;2.23,-7.96,;2.23,-6.41,;.9,-5.65,;3.57,-8.73,;3.58,-10.27,;4.91,-7.96,;-1.76,-4.11,;-3.01,-4.1,;-3.01,-5.72,;-5.91,-6.09,;-6.26,-7.59,)| Show InChI InChI=1S/C27H28N2O5/c1-28-13-12-27-22-17-6-9-20(32-2)23(22)34-24(27)25(33-3)10-11-26(27,21(28)14-17)19(15-25)16-4-7-18(8-5-16)29(30)31/h4-11,19,21,24H,12-15H2,1-3H3/t19-,21+,24-,25-,26+,27-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 751 | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Agonist activity at rat mu opioid receptor assessed as stimulation of [35]SGTPgammaS binding |
Bioorg Med Chem Lett 20: 418-21 (2010)
Article DOI: 10.1016/j.bmcl.2009.07.119
BindingDB Entry DOI: 10.7270/Q2BG2P4C |
More data for this
Ligand-Target Pair | |
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