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SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1Cc2c(CN(CC(=O)NCc3ccccc3)C1=O)[nH]c1ccccc21

InChI Key: InChIKey=DGSVUCDQWMCAPS-XTEPFMGCSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50266060   
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)
BDBM50266060
PNG
((S)-2-amino-N-((R)-2-(2-(benzylamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1Cc2c(CN(CC(=O)NCc3ccccc3)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C32H35N5O4/c1-19-12-22(38)13-20(2)24(19)14-26(33)31(40)36-28-15-25-23-10-6-7-11-27(23)35-29(25)17-37(32(28)41)18-30(39)34-16-21-8-4-3-5-9-21/h3-13,26,28,35,38H,14-18,33H2,1-2H3,(H,34,39)(H,36,40)/t26-,28+/m0/s1
UniProtKB/SwissProt

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Article
PubMed
n/an/a 14.9n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig assessed as inhibition of electrically evoked ileum contraction by GPI test


Bioorg Med Chem Lett 19: 433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.051
BindingDB Entry DOI: 10.7270/Q2K64HZ7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50266060
PNG
((S)-2-amino-N-((R)-2-(2-(benzylamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1Cc2c(CN(CC(=O)NCc3ccccc3)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C32H35N5O4/c1-19-12-22(38)13-20(2)24(19)14-26(33)31(40)36-28-15-25-23-10-6-7-11-27(23)35-29(25)17-37(32(28)41)18-30(39)34-16-21-8-4-3-5-9-21/h3-13,26,28,35,38H,14-18,33H2,1-2H3,(H,34,39)(H,36,40)/t26-,28+/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse assessed as inhibition of electrically evoked vas-deferens contraction by MVD test


Bioorg Med Chem Lett 19: 433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.051
BindingDB Entry DOI: 10.7270/Q2K64HZ7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50266060
PNG
((S)-2-amino-N-((R)-2-(2-(benzylamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1Cc2c(CN(CC(=O)NCc3ccccc3)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C32H35N5O4/c1-19-12-22(38)13-20(2)24(19)14-26(33)31(40)36-28-15-25-23-10-6-7-11-27(23)35-29(25)17-37(32(28)41)18-30(39)34-16-21-8-4-3-5-9-21/h3-13,26,28,35,38H,14-18,33H2,1-2H3,(H,34,39)(H,36,40)/t26-,28+/m0/s1
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161n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in Sprague-Dawley rat brain synaptosomal membranes


Bioorg Med Chem Lett 19: 433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.051
BindingDB Entry DOI: 10.7270/Q2K64HZ7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50266060
PNG
((S)-2-amino-N-((R)-2-(2-(benzylamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1Cc2c(CN(CC(=O)NCc3ccccc3)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C32H35N5O4/c1-19-12-22(38)13-20(2)24(19)14-26(33)31(40)36-28-15-25-23-10-6-7-11-27(23)35-29(25)17-37(32(28)41)18-30(39)34-16-21-8-4-3-5-9-21/h3-13,26,28,35,38H,14-18,33H2,1-2H3,(H,34,39)(H,36,40)/t26-,28+/m0/s1
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UniChem

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Article
PubMed
3.35n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain synaptosomal membranes


Bioorg Med Chem Lett 19: 433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.051
BindingDB Entry DOI: 10.7270/Q2K64HZ7
More data for this
Ligand-Target Pair