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Compile Data Set for Download or QSAR

Found 3 hits from Biomedizinische Forschungsreagenzien GmbH   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50300442
PNG
((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
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
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PC cid
PC sid
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Article
PubMed
0.120n/an/an/an/an/an/an/an/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
PNG
((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
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
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PC cid
PC sid
UniChem

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Article
PubMed
0.180n/an/an/an/an/an/an/an/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
PNG
((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
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

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.10n/an/an/an/an/an/an/an/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