Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50030714 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)) | BDBM50300442
((20R)-4,5-alpha-Epoxy-17-methyl-3-hydroxy-6-methox...)Show SMILES CO[C@]12C=C[C@@]3(C[C@@H]1[C@@](C)(O)CCc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,wU:19.36,8.10,wD:5.4,7.8,8.11,2.1,28.29,29.38,c:3,(.49,-5.98,;1.05,-4.54,;.09,-3.34,;-.99,-2.33,;-.42,-1.28,;-1.5,-.69,;.04,-.66,;.84,-1.99,;2.38,-1.96,;1.59,-.62,;3.17,-3.28,;3.12,-.61,;4.66,-.59,;5.41,.76,;6.94,.78,;7.69,2.12,;6.9,3.44,;5.35,3.41,;4.61,2.07,;-2.31,.63,;-3.86,.59,;-4.59,-.77,;-6.12,-.8,;-6.86,-2.16,;-6.06,-3.47,;-6.8,-4.82,;-4.52,-3.44,;-2.66,-4.42,;-1.46,-3.37,;-2.25,-2.05,;-3.44,-.93,;-3.43,1.87,;-2.03,1.87,;-.83,2.83,;-3.78,-2.08,)| Show InChI InChI=1S/C30H35NO4/c1-27(33,12-11-19-7-5-4-6-8-19)22-18-28-13-14-30(22,34-3)26-29(28)15-16-31(2)23(28)17-20-9-10-21(32)25(35-26)24(20)29/h4-10,13-14,22-23,26,32-33H,11-12,15-18H2,1-3H3/t22-,23-,26-,27+,28-,29+,30-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biomedizinische Forschungsreagenzien GmbH
Curated by ChEMBL
| Assay Description Displacement of [3H]diprenorphine from human cloned kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting |
J Med Chem 52: 5586-9 (2009)
Article DOI: 10.1021/jm900892x BindingDB Entry DOI: 10.7270/Q2SQ90F7 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50300442
((20R)-4,5-alpha-Epoxy-17-methyl-3-hydroxy-6-methox...)Show SMILES CO[C@]12C=C[C@@]3(C[C@@H]1[C@@](C)(O)CCc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,wU:19.36,8.10,wD:5.4,7.8,8.11,2.1,28.29,29.38,c:3,(.49,-5.98,;1.05,-4.54,;.09,-3.34,;-.99,-2.33,;-.42,-1.28,;-1.5,-.69,;.04,-.66,;.84,-1.99,;2.38,-1.96,;1.59,-.62,;3.17,-3.28,;3.12,-.61,;4.66,-.59,;5.41,.76,;6.94,.78,;7.69,2.12,;6.9,3.44,;5.35,3.41,;4.61,2.07,;-2.31,.63,;-3.86,.59,;-4.59,-.77,;-6.12,-.8,;-6.86,-2.16,;-6.06,-3.47,;-6.8,-4.82,;-4.52,-3.44,;-2.66,-4.42,;-1.46,-3.37,;-2.25,-2.05,;-3.44,-.93,;-3.43,1.87,;-2.03,1.87,;-.83,2.83,;-3.78,-2.08,)| Show InChI InChI=1S/C30H35NO4/c1-27(33,12-11-19-7-5-4-6-8-19)22-18-28-13-14-30(22,34-3)26-29(28)15-16-31(2)23(28)17-20-9-10-21(32)25(35-26)24(20)29/h4-10,13-14,22-23,26,32-33H,11-12,15-18H2,1-3H3/t22-,23-,26-,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
Similars
| Article PubMed
| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biomedizinische Forschungsreagenzien GmbH
Curated by ChEMBL
| Assay Description Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting |
J Med Chem 52: 5586-9 (2009)
Article DOI: 10.1021/jm900892x BindingDB Entry DOI: 10.7270/Q2SQ90F7 |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50300442
((20R)-4,5-alpha-Epoxy-17-methyl-3-hydroxy-6-methox...)Show SMILES CO[C@]12C=C[C@@]3(C[C@@H]1[C@@](C)(O)CCc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,wU:19.36,8.10,wD:5.4,7.8,8.11,2.1,28.29,29.38,c:3,(.49,-5.98,;1.05,-4.54,;.09,-3.34,;-.99,-2.33,;-.42,-1.28,;-1.5,-.69,;.04,-.66,;.84,-1.99,;2.38,-1.96,;1.59,-.62,;3.17,-3.28,;3.12,-.61,;4.66,-.59,;5.41,.76,;6.94,.78,;7.69,2.12,;6.9,3.44,;5.35,3.41,;4.61,2.07,;-2.31,.63,;-3.86,.59,;-4.59,-.77,;-6.12,-.8,;-6.86,-2.16,;-6.06,-3.47,;-6.8,-4.82,;-4.52,-3.44,;-2.66,-4.42,;-1.46,-3.37,;-2.25,-2.05,;-3.44,-.93,;-3.43,1.87,;-2.03,1.87,;-.83,2.83,;-3.78,-2.08,)| Show InChI InChI=1S/C30H35NO4/c1-27(33,12-11-19-7-5-4-6-8-19)22-18-28-13-14-30(22,34-3)26-29(28)15-16-31(2)23(28)17-20-9-10-21(32)25(35-26)24(20)29/h4-10,13-14,22-23,26,32-33H,11-12,15-18H2,1-3H3/t22-,23-,26-,27+,28-,29+,30-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biomedizinische Forschungsreagenzien GmbH
Curated by ChEMBL
| Assay Description Displacement of [3H]naltrindole from human cloned delta opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting |
J Med Chem 52: 5586-9 (2009)
Article DOI: 10.1021/jm900892x BindingDB Entry DOI: 10.7270/Q2SQ90F7 |
More data for this Ligand-Target Pair | |