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SMILES: [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(O)=O)ccc3OC

InChI Key: InChIKey=ZIKBKYLXRPUWMR-YEYBPYOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50515059   
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
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50515059
PNG
(CHEMBL4528931)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(O)=O)ccc3OC |r,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C20H24N2O6/c1-22-8-7-19-16-11-3-4-13(26-2)17(16)28-18(19)12(21-27-10-15(23)24)5-6-20(19,25)14(22)9-11/h3-4,14,18,25H,5-10H2,1-2H3,(H,23,24)/b21-12-/t14-,18+,19+,20-/m1/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
24n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50515059
PNG
(CHEMBL4528931)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(O)=O)ccc3OC |r,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C20H24N2O6/c1-22-8-7-19-16-11-3-4-13(26-2)17(16)28-18(19)12(21-27-10-15(23)24)5-6-20(19,25)14(22)9-11/h3-4,14,18,25H,5-10H2,1-2H3,(H,23,24)/b21-12-/t14-,18+,19+,20-/m1/s1
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PC sid
UniChem
Article
PubMed
110n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]Ile5,6-deltorphin-2 from DOR in Wistar rat brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50515059
PNG
(CHEMBL4528931)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC\C2=N\OCC(O)=O)ccc3OC |r,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C20H24N2O6/c1-22-8-7-19-16-11-3-4-13(26-2)17(16)28-18(19)12(21-27-10-15(23)24)5-6-20(19,25)14(22)9-11/h3-4,14,18,25H,5-10H2,1-2H3,(H,23,24)/b21-12-/t14-,18+,19+,20-/m1/s1
PDB

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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]HS-665 from KOR in guinea pig brain membranes after 60 mins by liquid scintillation analysis


Eur J Med Chem 178: 571-588 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.037
More data for this
Ligand-Target Pair