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BDBM50072345 CHEMBL3409110

SMILES: [H][C@]12CN(CCc3ccc(F)cc3)CC[C@@]1(CCCCc1ccccc1)c1cc(O)ccc1O2

InChI Key: InChIKey=AAGKZYYLJCIWKQ-IMDSDXEONA-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 = 50072345   
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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50072345
PNG
(CHEMBL3409110)
Show SMILES [H][C@]12CN(CCc3ccc(F)cc3)CC[C@@]1(CCCCc1ccccc1)c1cc(O)ccc1O2 |r|
Show InChI InChI=1/C29H32FNO2/c30-24-11-9-23(10-12-24)15-18-31-19-17-29(16-5-4-8-22-6-2-1-3-7-22)26-20-25(32)13-14-27(26)33-28(29)21-31/h1-3,6-7,9-14,20,28,32H,4-5,8,15-19,21H2/t28-,29-/s2
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12n/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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50072345
PNG
(CHEMBL3409110)
Show SMILES [H][C@]12CN(CCc3ccc(F)cc3)CC[C@@]1(CCCCc1ccccc1)c1cc(O)ccc1O2 |r|
Show InChI InChI=1/C29H32FNO2/c30-24-11-9-23(10-12-24)15-18-31-19-17-29(16-5-4-8-22-6-2-1-3-7-22)26-20-25(32)13-14-27(26)33-28(29)21-31/h1-3,6-7,9-14,20,28,32H,4-5,8,15-19,21H2/t28-,29-/s2
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21n/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
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50072345
PNG
(CHEMBL3409110)
Show SMILES [H][C@]12CN(CCc3ccc(F)cc3)CC[C@@]1(CCCCc1ccccc1)c1cc(O)ccc1O2 |r|
Show InChI InChI=1/C29H32FNO2/c30-24-11-9-23(10-12-24)15-18-31-19-17-29(16-5-4-8-22-6-2-1-3-7-22)26-20-25(32)13-14-27(26)33-28(29)21-31/h1-3,6-7,9-14,20,28,32H,4-5,8,15-19,21H2/t28-,29-/s2
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147n/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