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SMILES: CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1

InChI Key: InChIKey=KRABRQBOUFODOG-KRCBVYEFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50271440   
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))
BDBM50271440
PNG
(CHEMBL505975 | Tyr-Pro-Phe-Phe-N(CH3)2)
Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C34H41N5O5/c1-38(2)34(44)29(22-24-12-7-4-8-13-24)37-31(41)28(21-23-10-5-3-6-11-23)36-32(42)30-14-9-19-39(30)33(43)27(35)20-25-15-17-26(40)18-16-25/h3-8,10-13,15-18,27-30,40H,9,14,19-22,35H2,1-2H3,(H,36,42)(H,37,41)/t27-,28-,29-,30-/m0/s1
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Article
PubMed
273n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


Bioorg Med Chem 16: 6415-22 (2008)


Article DOI: 10.1016/j.bmc.2008.05.001
BindingDB Entry DOI: 10.7270/Q2RR1Z1F
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50271440
PNG
(CHEMBL505975 | Tyr-Pro-Phe-Phe-N(CH3)2)
Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C34H41N5O5/c1-38(2)34(44)29(22-24-12-7-4-8-13-24)37-31(41)28(21-23-10-5-3-6-11-23)36-32(42)30-14-9-19-39(30)33(43)27(35)20-25-15-17-26(40)18-16-25/h3-8,10-13,15-18,27-30,40H,9,14,19-22,35H2,1-2H3,(H,36,42)(H,37,41)/t27-,28-,29-,30-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain membrane


Bioorg Med Chem 16: 6415-22 (2008)


Article DOI: 10.1016/j.bmc.2008.05.001
BindingDB Entry DOI: 10.7270/Q2RR1Z1F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Cavia porcellus)
BDBM50271440
PNG
(CHEMBL505975 | Tyr-Pro-Phe-Phe-N(CH3)2)
Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C34H41N5O5/c1-38(2)34(44)29(22-24-12-7-4-8-13-24)37-31(41)28(21-23-10-5-3-6-11-23)36-32(42)30-14-9-19-39(30)33(43)27(35)20-25-15-17-26(40)18-16-25/h3-8,10-13,15-18,27-30,40H,9,14,19-22,35H2,1-2H3,(H,36,42)(H,37,41)/t27-,28-,29-,30-/m0/s1
PDB

UniProtKB/TrEMBL

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Article
PubMed
n/an/a 1.81E+3n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


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


Bioorg Med Chem 16: 6415-22 (2008)


Article DOI: 10.1016/j.bmc.2008.05.001
BindingDB Entry DOI: 10.7270/Q2RR1Z1F
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50271440
PNG
(CHEMBL505975 | Tyr-Pro-Phe-Phe-N(CH3)2)
Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C34H41N5O5/c1-38(2)34(44)29(22-24-12-7-4-8-13-24)37-31(41)28(21-23-10-5-3-6-11-23)36-32(42)30-14-9-19-39(30)33(43)27(35)20-25-15-17-26(40)18-16-25/h3-8,10-13,15-18,27-30,40H,9,14,19-22,35H2,1-2H3,(H,36,42)(H,37,41)/t27-,28-,29-,30-/m0/s1
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Article
PubMed
n/an/a 2.72E+3n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


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


Bioorg Med Chem 16: 6415-22 (2008)


Article DOI: 10.1016/j.bmc.2008.05.001
BindingDB Entry DOI: 10.7270/Q2RR1Z1F
More data for this
Ligand-Target Pair