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SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCCc2ccccc2)CC1

InChI Key: InChIKey=LJWJIAGUUHPNOE-DEOSSOPVSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50495232   
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


(Rattus norvegicus (rat))
BDBM50495232
PNG
(CHEMBL3104100)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCCc2ccccc2)CC1 |r|
Show InChI InChI=1S/C25H35N3O2/c1-19-16-22(29)17-20(2)23(19)18-24(26)25(30)28-14-12-27(13-15-28)11-7-6-10-21-8-4-3-5-9-21/h3-5,8-9,16-17,24,29H,6-7,10-15,18,26H2,1-2H3/t24-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
0.450n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membranes after 1 hr by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50495232
PNG
(CHEMBL3104100)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCCc2ccccc2)CC1 |r|
Show InChI InChI=1S/C25H35N3O2/c1-19-16-22(29)17-20(2)23(19)18-24(26)25(30)28-14-12-27(13-15-28)11-7-6-10-21-8-4-3-5-9-21/h3-5,8-9,16-17,24,29H,6-7,10-15,18,26H2,1-2H3/t24-/m0/s1
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UniChem
Article
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6.60n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta opioid receptor expressed in rat C6 cell membranes after 1 hr by liquid scintillation counting analy...


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50495232
PNG
(CHEMBL3104100)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCCc2ccccc2)CC1 |r|
Show InChI InChI=1S/C25H35N3O2/c1-19-16-22(29)17-20(2)23(19)18-24(26)25(30)28-14-12-27(13-15-28)11-7-6-10-21-8-4-3-5-9-21/h3-5,8-9,16-17,24,29H,6-7,10-15,18,26H2,1-2H3/t24-/m0/s1
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78n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes after 1 hr by liquid scintillation counting analys...


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50495232
PNG
(CHEMBL3104100)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCCc2ccccc2)CC1 |r|
Show InChI InChI=1S/C25H35N3O2/c1-19-16-22(29)17-20(2)23(19)18-24(26)25(30)28-14-12-27(13-15-28)11-7-6-10-21-8-4-3-5-9-21/h3-5,8-9,16-17,24,29H,6-7,10-15,18,26H2,1-2H3/t24-/m0/s1
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n/an/an/an/a 64n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at rat mu opioid receptor expressed in rat C6 cells assessed as stimulation of [35S]-GTPgammaS binding after 1 hr by liquid scintill...


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair