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BDBM50072342 CHEMBL3409113

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

InChI Key: InChIKey=XRBIPJDATYXOKH-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 = 50072342   
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))
BDBM50072342
PNG
(CHEMBL3409113)
Show SMILES [H][C@]12CN(CCc3ccc(cc3)C(F)(F)F)CC[C@@]1(CCCCc1ccccc1)c1cc(O)ccc1O2 |r|
Show InChI InChI=1/C30H32F3NO2/c31-30(32,33)24-11-9-23(10-12-24)15-18-34-19-17-29(16-5-4-8-22-6-2-1-3-7-22)26-20-25(35)13-14-27(26)36-28(29)21-34/h1-3,6-7,9-14,20,28,35H,4-5,8,15-19,21H2/t28-,29-/s2
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PC cid
PC sid
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Article
PubMed
3.80n/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))
BDBM50072342
PNG
(CHEMBL3409113)
Show SMILES [H][C@]12CN(CCc3ccc(cc3)C(F)(F)F)CC[C@@]1(CCCCc1ccccc1)c1cc(O)ccc1O2 |r|
Show InChI InChI=1/C30H32F3NO2/c31-30(32,33)24-11-9-23(10-12-24)15-18-34-19-17-29(16-5-4-8-22-6-2-1-3-7-22)26-20-25(35)13-14-27(26)36-28(29)21-34/h1-3,6-7,9-14,20,28,35H,4-5,8,15-19,21H2/t28-,29-/s2
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Article
PubMed
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))
BDBM50072342
PNG
(CHEMBL3409113)
Show SMILES [H][C@]12CN(CCc3ccc(cc3)C(F)(F)F)CC[C@@]1(CCCCc1ccccc1)c1cc(O)ccc1O2 |r|
Show InChI InChI=1/C30H32F3NO2/c31-30(32,33)24-11-9-23(10-12-24)15-18-34-19-17-29(16-5-4-8-22-6-2-1-3-7-22)26-20-25(35)13-14-27(26)36-28(29)21-34/h1-3,6-7,9-14,20,28,35H,4-5,8,15-19,21H2/t28-,29-/s2
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PC cid
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UniChem
Article
PubMed
163n/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