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SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccc(F)cc1)C(N)=O

InChI Key: InChIKey=JVEYTUJAZDWBGO-DHEUWDBWSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50339231   
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))
BDBM50339231
PNG
((1S,2R)-N-((2S)-1-(1-amino-3-(4-fluorophenyl)-1-ox...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccc(F)cc1)C(N)=O |r|
Show InChI InChI=1S/C36H41FN6O5/c37-24-13-9-22(10-14-24)18-31(33(39)45)42-36(48)32(19-23-20-40-29-7-3-1-5-26(23)29)43-34(46)27-6-2-4-8-30(27)41-35(47)28(38)17-21-11-15-25(44)16-12-21/h1,3,5,7,9-16,20,27-28,30-32,40,44H,2,4,6,8,17-19,38H2,(H2,39,45)(H,41,47)(H,42,48)(H,43,46)/t27-,28-,30+,31?,32-/m0/s1
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PC sid
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Similars

Article
PubMed
3.20n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane homogenate by liquid scintillation counting


J Med Chem 54: 1462-72 (2011)


Article DOI: 10.1021/jm101515v
BindingDB Entry DOI: 10.7270/Q26T0MX9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50339231
PNG
((1S,2R)-N-((2S)-1-(1-amino-3-(4-fluorophenyl)-1-ox...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccc(F)cc1)C(N)=O |r|
Show InChI InChI=1S/C36H41FN6O5/c37-24-13-9-22(10-14-24)18-31(33(39)45)42-36(48)32(19-23-20-40-29-7-3-1-5-26(23)29)43-34(46)27-6-2-4-8-30(27)41-35(47)28(38)17-21-11-15-25(44)16-12-21/h1,3,5,7,9-16,20,27-28,30-32,40,44H,2,4,6,8,17-19,38H2,(H2,39,45)(H,41,47)(H,42,48)(H,43,46)/t27-,28-,30+,31?,32-/m0/s1
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Article
PubMed
571n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin2 from delta opioid receptor in rat brain membrane homogenate by liquid scintillation counting


J Med Chem 54: 1462-72 (2011)


Article DOI: 10.1021/jm101515v
BindingDB Entry DOI: 10.7270/Q26T0MX9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50339231
PNG
((1S,2R)-N-((2S)-1-(1-amino-3-(4-fluorophenyl)-1-ox...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccc(F)cc1)C(N)=O |r|
Show InChI InChI=1S/C36H41FN6O5/c37-24-13-9-22(10-14-24)18-31(33(39)45)42-36(48)32(19-23-20-40-29-7-3-1-5-26(23)29)43-34(46)27-6-2-4-8-30(27)41-35(47)28(38)17-21-11-15-25(44)16-12-21/h1,3,5,7,9-16,20,27-28,30-32,40,44H,2,4,6,8,17-19,38H2,(H2,39,45)(H,41,47)(H,42,48)(H,43,46)/t27-,28-,30+,31?,32-/m0/s1
PDB

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Article
PubMed
n/an/an/an/a 380n/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in rat brain membrane by [35S]GTPgammaS binding assay


J Med Chem 54: 1462-72 (2011)


Article DOI: 10.1021/jm101515v
BindingDB Entry DOI: 10.7270/Q26T0MX9
More data for this
Ligand-Target Pair