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SMILES: CC[C@@]12CCN(Cc3ccc(F)cc3)C[C@@H]1Oc1c2cccc1O

InChI Key: InChIKey=SHZRGJVVFYZPIA-ICSRJNTNSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50308921   
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))
BDBM50308921
PNG
(CHEMBL592301 | cis-(+/-)-4a-Ethyl-2-(4-fluorobenzy...)
Show SMILES CC[C@@]12CCN(Cc3ccc(F)cc3)C[C@@H]1Oc1c2cccc1O |r|
Show InChI InChI=1S/C20H22FNO2/c1-2-20-10-11-22(12-14-6-8-15(21)9-7-14)13-18(20)24-19-16(20)4-3-5-17(19)23/h3-9,18,23H,2,10-13H2,1H3/t18-,20-/m0/s1
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PC cid
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Article
PubMed
>2.70E+3n/an/an/an/an/an/an/an/a



NIDA

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells


Bioorg Med Chem 18: 91-9 (2010)


Article DOI: 10.1016/j.bmc.2009.11.022
BindingDB Entry DOI: 10.7270/Q21836KX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50308921
PNG
(CHEMBL592301 | cis-(+/-)-4a-Ethyl-2-(4-fluorobenzy...)
Show SMILES CC[C@@]12CCN(Cc3ccc(F)cc3)C[C@@H]1Oc1c2cccc1O |r|
Show InChI InChI=1S/C20H22FNO2/c1-2-20-10-11-22(12-14-6-8-15(21)9-7-14)13-18(20)24-19-16(20)4-3-5-17(19)23/h3-9,18,23H,2,10-13H2,1H3/t18-,20-/m0/s1
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Article
PubMed
3.38E+3n/an/an/an/an/an/an/an/a



NIDA

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 18: 91-9 (2010)


Article DOI: 10.1016/j.bmc.2009.11.022
BindingDB Entry DOI: 10.7270/Q21836KX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50308921
PNG
(CHEMBL592301 | cis-(+/-)-4a-Ethyl-2-(4-fluorobenzy...)
Show SMILES CC[C@@]12CCN(Cc3ccc(F)cc3)C[C@@H]1Oc1c2cccc1O |r|
Show InChI InChI=1S/C20H22FNO2/c1-2-20-10-11-22(12-14-6-8-15(21)9-7-14)13-18(20)24-19-16(20)4-3-5-17(19)23/h3-9,18,23H,2,10-13H2,1H3/t18-,20-/m0/s1
PDB

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Article
PubMed
>4.50E+3n/an/an/an/an/an/an/an/a



NIDA

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from delta opioid receptor expressed in CHO cells


Bioorg Med Chem 18: 91-9 (2010)


Article DOI: 10.1016/j.bmc.2009.11.022
BindingDB Entry DOI: 10.7270/Q21836KX
More data for this
Ligand-Target Pair