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SMILES: COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O

InChI Key: InChIKey=HKUIBYDTKWHKJU-JQXFEWAVSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50366623   
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
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50366623
PNG
(CHEMBL1744389)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r|
Show InChI InChI=1S/C27H28N2O3/c1-31-20-9-8-16-12-21-27(30)13-18-17-4-2-3-5-19(17)28-23(18)25-26(27,22(16)24(20)32-25)10-11-29(21)14-15-6-7-15/h2-5,8-9,15,21,25,28,30H,6-7,10-14H2,1H3/t21-,25?,26+,27-/m1/s1
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6.60n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Ability to displace [3H]DAMGO from mu opioid receptor


Bioorg Med Chem Lett 9: 3435-8 (2000)


BindingDB Entry DOI: 10.7270/Q2GT5NPZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50366623
PNG
(CHEMBL1744389)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r|
Show InChI InChI=1S/C27H28N2O3/c1-31-20-9-8-16-12-21-27(30)13-18-17-4-2-3-5-19(17)28-23(18)25-26(27,22(16)24(20)32-25)10-11-29(21)14-15-6-7-15/h2-5,8-9,15,21,25,28,30H,6-7,10-14H2,1H3/t21-,25?,26+,27-/m1/s1
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9n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Ability to inhibit binding of SNC80 to delta opioid receptor


Bioorg Med Chem Lett 9: 3435-8 (2000)


BindingDB Entry DOI: 10.7270/Q2GT5NPZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50366623
PNG
(CHEMBL1744389)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r|
Show InChI InChI=1S/C27H28N2O3/c1-31-20-9-8-16-12-21-27(30)13-18-17-4-2-3-5-19(17)28-23(18)25-26(27,22(16)24(20)32-25)10-11-29(21)14-15-6-7-15/h2-5,8-9,15,21,25,28,30H,6-7,10-14H2,1H3/t21-,25?,26+,27-/m1/s1
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411n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]DAMGO to mu opioid receptor


Bioorg Med Chem Lett 9: 3435-8 (2000)


BindingDB Entry DOI: 10.7270/Q2GT5NPZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50366623
PNG
(CHEMBL1744389)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r|
Show InChI InChI=1S/C27H28N2O3/c1-31-20-9-8-16-12-21-27(30)13-18-17-4-2-3-5-19(17)28-23(18)25-26(27,22(16)24(20)32-25)10-11-29(21)14-15-6-7-15/h2-5,8-9,15,21,25,28,30H,6-7,10-14H2,1H3/t21-,25?,26+,27-/m1/s1
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1.76E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Ability to inhibit binding of U-69,593 to kappa opioid receptor


Bioorg Med Chem Lett 9: 3435-8 (2000)


BindingDB Entry DOI: 10.7270/Q2GT5NPZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50366623
PNG
(CHEMBL1744389)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r|
Show InChI InChI=1S/C27H28N2O3/c1-31-20-9-8-16-12-21-27(30)13-18-17-4-2-3-5-19(17)28-23(18)25-26(27,22(16)24(20)32-25)10-11-29(21)14-15-6-7-15/h2-5,8-9,15,21,25,28,30H,6-7,10-14H2,1H3/t21-,25?,26+,27-/m1/s1
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2.51E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]DAMGO to mu opioid receptor


Bioorg Med Chem Lett 9: 3435-8 (2000)


BindingDB Entry DOI: 10.7270/Q2GT5NPZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50366623
PNG
(CHEMBL1744389)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r|
Show InChI InChI=1S/C27H28N2O3/c1-31-20-9-8-16-12-21-27(30)13-18-17-4-2-3-5-19(17)28-23(18)25-26(27,22(16)24(20)32-25)10-11-29(21)14-15-6-7-15/h2-5,8-9,15,21,25,28,30H,6-7,10-14H2,1H3/t21-,25?,26+,27-/m1/s1
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3.91E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from kappa opioid receptor


Bioorg Med Chem Lett 9: 3435-8 (2000)


BindingDB Entry DOI: 10.7270/Q2GT5NPZ
More data for this
Ligand-Target Pair