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SMILES: [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(CC[C@@]23O)=C/c1ccccc1

InChI Key: InChIKey=KPNWEHZMMBQVLY-LEAAFYOASA-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 6 hits for monomerid = 50161770   
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


(Homo sapiens (Human))
BDBM50161770
PNG
(CHEMBL3786083)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(CC[C@@]23O)=C/c1ccccc1 |r,TLB:14:13:3.9.2:24|
Show InChI InChI=1S/C28H31NO3/c30-23-9-8-21-15-26-28(32)11-10-22(14-19-4-2-1-3-5-19)25(31)17-27(28,24(21)16-23)12-13-29(26)18-20-6-7-20/h1-5,8-9,14,16,20,26,30,32H,6-7,10-13,15,17-18H2/b22-14-/t26?,27-,28-/m1/s1
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9.80n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7KKZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50161770
PNG
(CHEMBL3786083)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(CC[C@@]23O)=C/c1ccccc1 |r,TLB:14:13:3.9.2:24|
Show InChI InChI=1S/C28H31NO3/c30-23-9-8-21-15-26-28(32)11-10-22(14-19-4-2-1-3-5-19)25(31)17-27(28,24(21)16-23)12-13-29(26)18-20-6-7-20/h1-5,8-9,14,16,20,26,30,32H,6-7,10-13,15,17-18H2/b22-14-/t26?,27-,28-/m1/s1
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18n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from human kappa opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 2199-205 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7KKZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50161770
PNG
(CHEMBL3786083)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(CC[C@@]23O)=C/c1ccccc1 |r,TLB:14:13:3.9.2:24|
Show InChI InChI=1S/C28H31NO3/c30-23-9-8-21-15-26-28(32)11-10-22(14-19-4-2-1-3-5-19)25(31)17-27(28,24(21)16-23)12-13-29(26)18-20-6-7-20/h1-5,8-9,14,16,20,26,30,32H,6-7,10-13,15,17-18H2/b22-14-/t26?,27-,28-/m1/s1
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52n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem 24: 2199-205 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7KKZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50161770
PNG
(CHEMBL3786083)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(CC[C@@]23O)=C/c1ccccc1 |r,TLB:14:13:3.9.2:24|
Show InChI InChI=1S/C28H31NO3/c30-23-9-8-21-15-26-28(32)11-10-22(14-19-4-2-1-3-5-19)25(31)17-27(28,24(21)16-23)12-13-29(26)18-20-6-7-20/h1-5,8-9,14,16,20,26,30,32H,6-7,10-13,15,17-18H2/b22-14-/t26?,27-,28-/m1/s1
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n/an/an/an/a 1.80n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 24: 2199-205 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7KKZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50161770
PNG
(CHEMBL3786083)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(CC[C@@]23O)=C/c1ccccc1 |r,TLB:14:13:3.9.2:24|
Show InChI InChI=1S/C28H31NO3/c30-23-9-8-21-15-26-28(32)11-10-22(14-19-4-2-1-3-5-19)25(31)17-27(28,24(21)16-23)12-13-29(26)18-20-6-7-20/h1-5,8-9,14,16,20,26,30,32H,6-7,10-13,15,17-18H2/b22-14-/t26?,27-,28-/m1/s1
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n/an/an/an/a 19n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 24: 2199-205 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7KKZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50161770
PNG
(CHEMBL3786083)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)CC(=O)\C(CC[C@@]23O)=C/c1ccccc1 |r,TLB:14:13:3.9.2:24|
Show InChI InChI=1S/C28H31NO3/c30-23-9-8-21-15-26-28(32)11-10-22(14-19-4-2-1-3-5-19)25(31)17-27(28,24(21)16-23)12-13-29(26)18-20-6-7-20/h1-5,8-9,14,16,20,26,30,32H,6-7,10-13,15,17-18H2/b22-14-/t26?,27-,28-/m1/s1
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UniProtKB/SwissProt

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UniChem
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n/an/an/an/a 21n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 24: 2199-205 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7KKZ
More data for this
Ligand-Target Pair