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BDBM50028084 CHEMBL3338870

SMILES: [H][C@]12O[C@@](C)(c3ccc(O)cc3)[C@]3([H])O[C@@](C)(c4ccc(O)cc4)[C@]([H])(O[C@@]1(C)c1ccc(O)cc1)N23

InChI Key: InChIKey=HATGEKWRCZEUHZ-QCOJBMJGSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50028084   
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


(MOUSE)
BDBM50028084
PNG
(CHEMBL3338870)
Show SMILES [H][C@]12O[C@@](C)(c3ccc(O)cc3)[C@]3([H])O[C@@](C)(c4ccc(O)cc4)[C@]([H])(O[C@@]1(C)c1ccc(O)cc1)N23 |r|
Show InChI InChI=1S/C27H27NO6/c1-25(16-4-10-19(29)11-5-16)22-28-23(32-25)26(2,17-6-12-20(30)13-7-17)34-24(28)27(3,33-22)18-8-14-21(31)15-9-18/h4-15,22-24,29-31H,1-3H3/t22-,23-,24-,25-,26-,27-/m0/s1
PDB

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UniProtKB/SwissProt

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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 mouse whole brain MOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
BindingDB Entry DOI: 10.7270/Q2C53NFK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50028084
PNG
(CHEMBL3338870)
Show SMILES [H][C@]12O[C@@](C)(c3ccc(O)cc3)[C@]3([H])O[C@@](C)(c4ccc(O)cc4)[C@]([H])(O[C@@]1(C)c1ccc(O)cc1)N23 |r|
Show InChI InChI=1S/C27H27NO6/c1-25(16-4-10-19(29)11-5-16)22-28-23(32-25)26(2,17-6-12-20(30)13-7-17)34-24(28)27(3,33-22)18-8-14-21(31)15-9-18/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]U-69593 from guinea pig cerebellum KOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
BindingDB Entry DOI: 10.7270/Q2C53NFK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50028084
PNG
(CHEMBL3338870)
Show SMILES [H][C@]12O[C@@](C)(c3ccc(O)cc3)[C@]3([H])O[C@@](C)(c4ccc(O)cc4)[C@]([H])(O[C@@]1(C)c1ccc(O)cc1)N23 |r|
Show InChI InChI=1S/C27H27NO6/c1-25(16-4-10-19(29)11-5-16)22-28-23(32-25)26(2,17-6-12-20(30)13-7-17)34-24(28)27(3,33-22)18-8-14-21(31)15-9-18/h4-15,22-24,29-31H,1-3H3/t22-,23-,24-,25-,26-,27-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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 mouse whole brain DOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
BindingDB Entry DOI: 10.7270/Q2C53NFK
More data for this
Ligand-Target Pair