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SMILES: [H][C@]12CN(CCc3ccccc3F)CC[C@@]1(CCCCCc1ccccc1)c1cc(O)ccc1O2

InChI Key: InChIKey=PDPBVYPSZLWGOI-KYJUHHDHSA-N

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 = 50072332   
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


(Homo sapiens (Human))
BDBM50072332
PNG
(CHEMBL3409120)
Show SMILES [H][C@]12CN(CCc3ccccc3F)CC[C@@]1(CCCCCc1ccccc1)c1cc(O)ccc1O2 |r|
Show InChI InChI=1S/C30H34FNO2/c31-27-13-7-6-12-24(27)16-19-32-20-18-30(17-8-2-5-11-23-9-3-1-4-10-23)26-21-25(33)14-15-28(26)34-29(30)22-32/h1,3-4,6-7,9-10,12-15,21,29,33H,2,5,8,11,16-20,22H2/t29-,30-/m0/s1
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Similars

Article
PubMed
5.80n/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))
BDBM50072332
PNG
(CHEMBL3409120)
Show SMILES [H][C@]12CN(CCc3ccccc3F)CC[C@@]1(CCCCCc1ccccc1)c1cc(O)ccc1O2 |r|
Show InChI InChI=1S/C30H34FNO2/c31-27-13-7-6-12-24(27)16-19-32-20-18-30(17-8-2-5-11-23-9-3-1-4-10-23)26-21-25(33)14-15-28(26)34-29(30)22-32/h1,3-4,6-7,9-10,12-15,21,29,33H,2,5,8,11,16-20,22H2/t29-,30-/m0/s1
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Article
PubMed
54n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50072332
PNG
(CHEMBL3409120)
Show SMILES [H][C@]12CN(CCc3ccccc3F)CC[C@@]1(CCCCCc1ccccc1)c1cc(O)ccc1O2 |r|
Show InChI InChI=1S/C30H34FNO2/c31-27-13-7-6-12-24(27)16-19-32-20-18-30(17-8-2-5-11-23-9-3-1-4-10-23)26-21-25(33)14-15-28(26)34-29(30)22-32/h1,3-4,6-7,9-10,12-15,21,29,33H,2,5,8,11,16-20,22H2/t29-,30-/m0/s1
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PC cid
PC sid
UniChem

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Article
PubMed
177n/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