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BDBM50072328 CHEMBL3409100

SMILES: [H][C@]12CN(CCc3ccccc3)CC[C@@]1(CCCc1ccccc1)c1cc(O)ccc1O2

InChI Key: InChIKey=WIWQJHNKUKGALJ-LEFKRGDZNA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50072328   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50072328
PNG
(CHEMBL3409100)
Show SMILES [H][C@]12CN(CCc3ccccc3)CC[C@@]1(CCCc1ccccc1)c1cc(O)ccc1O2 |r|
Show InChI InChI=1/C28H31NO2/c30-24-13-14-26-25(20-24)28(16-7-12-22-8-3-1-4-9-22)17-19-29(21-27(28)31-26)18-15-23-10-5-2-6-11-23/h1-6,8-11,13-14,20,27,30H,7,12,15-19,21H2/t27-,28-/s2
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PC cid
PC sid
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6.90n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human recombinant opioid delta receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting m...


Eur J Med Chem 92: 531-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.025
BindingDB Entry DOI: 10.7270/Q2GF0W6W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50072328
PNG
(CHEMBL3409100)
Show SMILES [H][C@]12CN(CCc3ccccc3)CC[C@@]1(CCCc1ccccc1)c1cc(O)ccc1O2 |r|
Show InChI InChI=1/C28H31NO2/c30-24-13-14-26-25(20-24)28(16-7-12-22-8-3-1-4-9-22)17-19-29(21-27(28)31-26)18-15-23-10-5-2-6-11-23/h1-6,8-11,13-14,20,27,30H,7,12,15-19,21H2/t27-,28-/s2
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14n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant opioid mu receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting meth...


Eur J Med Chem 92: 531-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.025
BindingDB Entry DOI: 10.7270/Q2GF0W6W
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50072328
PNG
(CHEMBL3409100)
Show SMILES [H][C@]12CN(CCc3ccccc3)CC[C@@]1(CCCc1ccccc1)c1cc(O)ccc1O2 |r|
Show InChI InChI=1/C28H31NO2/c30-24-13-14-26-25(20-24)28(16-7-12-22-8-3-1-4-9-22)17-19-29(21-27(28)31-26)18-15-23-10-5-2-6-11-23/h1-6,8-11,13-14,20,27,30H,7,12,15-19,21H2/t27-,28-/s2
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PC cid
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Article
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110n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human recombinant opioid kappa receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting...


Eur J Med Chem 92: 531-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.025
BindingDB Entry DOI: 10.7270/Q2GF0W6W
More data for this
Ligand-Target Pair