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SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(Cc2ccccc2)[nH]c1=O

InChI Key: InChIKey=PGAGKGJAPYCCML-QHCPKHFHSA-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 = 50221419   
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


(Homo sapiens (Human))
BDBM50221419
PNG
((S)-2-amino-N-(4-(5-benzyl-6-methyl-3-oxo-3,4-dihy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(Cc2ccccc2)[nH]c1=O
Show InChI InChI=1S/C27H34N4O3/c1-17-13-21(32)14-18(2)22(17)16-23(28)26(33)29-12-8-7-11-24-27(34)31-25(19(3)30-24)15-20-9-5-4-6-10-20/h4-6,9-10,13-14,23,32H,7-8,11-12,15-16,28H2,1-3H3,(H,29,33)(H,31,34)/t23-/m0/s1
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Article
PubMed
0.420n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor


Bioorg Med Chem Lett 17: 5768-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.058
BindingDB Entry DOI: 10.7270/Q2N29WPB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50221419
PNG
((S)-2-amino-N-(4-(5-benzyl-6-methyl-3-oxo-3,4-dihy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(Cc2ccccc2)[nH]c1=O
Show InChI InChI=1S/C27H34N4O3/c1-17-13-21(32)14-18(2)22(17)16-23(28)26(33)29-12-8-7-11-24-27(34)31-25(19(3)30-24)15-20-9-5-4-6-10-20/h4-6,9-10,13-14,23,32H,7-8,11-12,15-16,28H2,1-3H3,(H,29,33)(H,31,34)/t23-/m0/s1
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Article
PubMed
8.60n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor


Bioorg Med Chem Lett 17: 5768-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.058
BindingDB Entry DOI: 10.7270/Q2N29WPB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50221419
PNG
((S)-2-amino-N-(4-(5-benzyl-6-methyl-3-oxo-3,4-dihy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(Cc2ccccc2)[nH]c1=O
Show InChI InChI=1S/C27H34N4O3/c1-17-13-21(32)14-18(2)22(17)16-23(28)26(33)29-12-8-7-11-24-27(34)31-25(19(3)30-24)15-20-9-5-4-6-10-20/h4-6,9-10,13-14,23,32H,7-8,11-12,15-16,28H2,1-3H3,(H,29,33)(H,31,34)/t23-/m0/s1
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


Bioorg Med Chem Lett 17: 5768-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.058
BindingDB Entry DOI: 10.7270/Q2N29WPB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50221419
PNG
((S)-2-amino-N-(4-(5-benzyl-6-methyl-3-oxo-3,4-dihy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(Cc2ccccc2)[nH]c1=O
Show InChI InChI=1S/C27H34N4O3/c1-17-13-21(32)14-18(2)22(17)16-23(28)26(33)29-12-8-7-11-24-27(34)31-25(19(3)30-24)15-20-9-5-4-6-10-20/h4-6,9-10,13-14,23,32H,7-8,11-12,15-16,28H2,1-3H3,(H,29,33)(H,31,34)/t23-/m0/s1
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction


Bioorg Med Chem Lett 17: 5768-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.058
BindingDB Entry DOI: 10.7270/Q2N29WPB
More data for this
Ligand-Target Pair