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SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC(Cc2ccccc2)CC1

InChI Key: InChIKey=CTWBAHNLIQXLPU-QFIPXVFZSA-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 = 50495234   
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))
BDBM50495234
PNG
(CHEMBL3104106)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC(Cc2ccccc2)CC1 |r|
Show InChI InChI=1S/C23H30N2O2/c1-16-12-20(26)13-17(2)21(16)15-22(24)23(27)25-10-8-19(9-11-25)14-18-6-4-3-5-7-18/h3-7,12-13,19,22,26H,8-11,14-15,24H2,1-2H3/t22-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
1.40n/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))
BDBM50495234
PNG
(CHEMBL3104106)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC(Cc2ccccc2)CC1 |r|
Show InChI InChI=1S/C23H30N2O2/c1-16-12-20(26)13-17(2)21(16)15-22(24)23(27)25-10-8-19(9-11-25)14-18-6-4-3-5-7-18/h3-7,12-13,19,22,26H,8-11,14-15,24H2,1-2H3/t22-/m0/s1
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PC sid
UniChem
Article
PubMed
7.80n/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))
BDBM50495234
PNG
(CHEMBL3104106)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC(Cc2ccccc2)CC1 |r|
Show InChI InChI=1S/C23H30N2O2/c1-16-12-20(26)13-17(2)21(16)15-22(24)23(27)25-10-8-19(9-11-25)14-18-6-4-3-5-7-18/h3-7,12-13,19,22,26H,8-11,14-15,24H2,1-2H3/t22-/m0/s1
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PC sid
UniChem
Article
PubMed
140n/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