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SMILES: [H][C@]12O[C@@](C)(c3cccc(O)c3)[C@]3([H])O[C@@](C)(c4cccc(O)c4)[C@]([H])(O[C@@]1(C)c1cccc(O)c1)N23

InChI Key: InChIKey=OBYGGEKTKXMQNA-QCOJBMJGSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50101327   
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


(Cavia porcellus (domestic guinea pig))
BDBM50101327
PNG
(CHEMBL3326349)
Show SMILES [H][C@]12O[C@@](C)(c3cccc(O)c3)[C@]3([H])O[C@@](C)(c4cccc(O)c4)[C@]([H])(O[C@@]1(C)c1cccc(O)c1)N23 |r|
Show InChI InChI=1S/C27H27NO6/c1-25(16-7-4-10-19(29)13-16)22-28-23(32-25)26(2,17-8-5-11-20(30)14-17)34-24(28)27(3,33-22)18-9-6-12-21(31)15-18/h4-15,22-24,29-31H,1-3H3/t22-,23-,24-,25-,26-,27-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum


ACS Med Chem Lett 5: 868-72 (2014)


Article DOI: 10.1021/ml5000542
BindingDB Entry DOI: 10.7270/Q218388Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50101327
PNG
(CHEMBL3326349)
Show SMILES [H][C@]12O[C@@](C)(c3cccc(O)c3)[C@]3([H])O[C@@](C)(c4cccc(O)c4)[C@]([H])(O[C@@]1(C)c1cccc(O)c1)N23 |r|
Show InChI InChI=1S/C27H27NO6/c1-25(16-7-4-10-19(29)13-16)22-28-23(32-25)26(2,17-8-5-11-20(30)14-17)34-24(28)27(3,33-22)18-9-6-12-21(31)15-18/h4-15,22-24,29-31H,1-3H3/t22-,23-,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+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum


ACS Med Chem Lett 5: 868-72 (2014)


Article DOI: 10.1021/ml5000542
BindingDB Entry DOI: 10.7270/Q218388Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50101327
PNG
(CHEMBL3326349)
Show SMILES [H][C@]12O[C@@](C)(c3cccc(O)c3)[C@]3([H])O[C@@](C)(c4cccc(O)c4)[C@]([H])(O[C@@]1(C)c1cccc(O)c1)N23 |r|
Show InChI InChI=1S/C27H27NO6/c1-25(16-7-4-10-19(29)13-16)22-28-23(32-25)26(2,17-8-5-11-20(30)14-17)34-24(28)27(3,33-22)18-9-6-12-21(31)15-18/h4-15,22-24,29-31H,1-3H3/t22-,23-,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+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain without cerebellum


ACS Med Chem Lett 5: 868-72 (2014)


Article DOI: 10.1021/ml5000542
BindingDB Entry DOI: 10.7270/Q218388Q
More data for this
Ligand-Target Pair