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SMILES: [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)C(\C)=C\C)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC

InChI Key: InChIKey=NKNYLHLZYSEEDI-MBGZBIFISA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50025260   
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))
BDBM50025260
PNG
(CHEMBL3330668)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)C(\C)=C\C)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1S/C26H32O8/c1-6-14(2)22(28)33-18-11-17(23(29)31-5)25(3)9-7-16-24(30)34-19(15-8-10-32-13-15)12-26(16,4)21(25)20(18)27/h6,8,10,13,16-19,21H,7,9,11-12H2,1-5H3/b14-6+/t16-,17-,18-,19-,21-,25-,26-/m0/s1
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Article
PubMed
153n/an/an/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor (unknown origin) expressed in HEK293T cells after 1.5 hrs by radioligand binding assay


Eur J Med Chem 85: 818-29 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.077
BindingDB Entry DOI: 10.7270/Q2VH5QDH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50025260
PNG
(CHEMBL3330668)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)C(\C)=C\C)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1S/C26H32O8/c1-6-14(2)22(28)33-18-11-17(23(29)31-5)25(3)9-7-16-24(30)34-19(15-8-10-32-13-15)12-26(16,4)21(25)20(18)27/h6,8,10,13,16-19,21H,7,9,11-12H2,1-5H3/b14-6+/t16-,17-,18-,19-,21-,25-,26-/m0/s1
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from delta opioid receptor (unknown origin) expressed in HEK293T cells after 1.5 hrs by radioligand binding assay


Eur J Med Chem 85: 818-29 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.077
BindingDB Entry DOI: 10.7270/Q2VH5QDH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50025260
PNG
(CHEMBL3330668)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)C(\C)=C\C)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1S/C26H32O8/c1-6-14(2)22(28)33-18-11-17(23(29)31-5)25(3)9-7-16-24(30)34-19(15-8-10-32-13-15)12-26(16,4)21(25)20(18)27/h6,8,10,13,16-19,21H,7,9,11-12H2,1-5H3/b14-6+/t16-,17-,18-,19-,21-,25-,26-/m0/s1
PDB

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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in HEK293T cells after 1.5 hrs by radioligand binding assay


Eur J Med Chem 85: 818-29 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.077
BindingDB Entry DOI: 10.7270/Q2VH5QDH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50025260
PNG
(CHEMBL3330668)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)C(\C)=C\C)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1S/C26H32O8/c1-6-14(2)22(28)33-18-11-17(23(29)31-5)25(3)9-7-16-24(30)34-19(15-8-10-32-13-15)12-26(16,4)21(25)20(18)27/h6,8,10,13,16-19,21H,7,9,11-12H2,1-5H3/b14-6+/t16-,17-,18-,19-,21-,25-,26-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 477n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human kappa opioid receptor expressed in HEK293T cells assessed as inhibition of cAMP production after 30 mins


Eur J Med Chem 85: 818-29 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.077
BindingDB Entry DOI: 10.7270/Q2VH5QDH
More data for this
Ligand-Target Pair