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SMILES: Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CCc2ccccc2)c1

InChI Key: InChIKey=LSTHMGDZXZATNR-XAGPSQNTSA-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 = 50105496   
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


(GUINEA PIG)
BDBM50105496
PNG
(17-phenethyl-(1R,9R,10R)-17-azatetracyclo[7.5.3.01...)
Show SMILES Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CCc2ccccc2)c1 |THB:17:16:8:4.5.6|
Show InChI InChI=1S/C24H29NO/c26-20-9-10-21-19(16-20)17-23-22-8-4-5-12-24(21,22)13-15-25(23)14-11-18-6-2-1-3-7-18/h1-3,6-7,9-10,16,22-23,26H,4-5,8,11-15,17H2/t22-,23+,24?/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
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Similars

PubMed
0.120n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 in guinea pig brain membranes using [3H]DAMGO as radioligand


Bioorg Med Chem Lett 11: 2735-40 (2001)


BindingDB Entry DOI: 10.7270/Q25T3M01
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50105496
PNG
(17-phenethyl-(1R,9R,10R)-17-azatetracyclo[7.5.3.01...)
Show SMILES Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CCc2ccccc2)c1 |THB:17:16:8:4.5.6|
Show InChI InChI=1S/C24H29NO/c26-20-9-10-21-19(16-20)17-23-22-8-4-5-12-24(21,22)13-15-25(23)14-11-18-6-2-1-3-7-18/h1-3,6-7,9-10,16,22-23,26H,4-5,8,11-15,17H2/t22-,23+,24?/m0/s1
PDB

UniProtKB/SwissProt

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PC sid
UniChem

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PubMed
1.30n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards guinea pig Opioid receptor kappa 1 using radioligand [3H]U-69593


Bioorg Med Chem Lett 11: 2735-40 (2001)


BindingDB Entry DOI: 10.7270/Q25T3M01
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50105496
PNG
(17-phenethyl-(1R,9R,10R)-17-azatetracyclo[7.5.3.01...)
Show SMILES Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CCc2ccccc2)c1 |THB:17:16:8:4.5.6|
Show InChI InChI=1S/C24H29NO/c26-20-9-10-21-19(16-20)17-23-22-8-4-5-12-24(21,22)13-15-25(23)14-11-18-6-2-1-3-7-18/h1-3,6-7,9-10,16,22-23,26H,4-5,8,11-15,17H2/t22-,23+,24?/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
3.10n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 in guinea pig brain membranes using [3H]naltrindole as radioligand


Bioorg Med Chem Lett 11: 2735-40 (2001)


BindingDB Entry DOI: 10.7270/Q25T3M01
More data for this
Ligand-Target Pair