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

InChI Key: InChIKey=CKJLFFBHZULOJJ-WRNGYDLHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50339238   
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))
BDBM50339238
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](Cc1ccccc1)C(=O)NC(Cc1ccc(F)cc1)C(N)=O |r|
Show InChI InChI=1S/C34H40FN5O5/c35-24-14-10-23(11-15-24)19-29(31(37)42)39-34(45)30(20-21-6-2-1-3-7-21)40-32(43)26-8-4-5-9-28(26)38-33(44)27(36)18-22-12-16-25(41)17-13-22/h1-3,6-7,10-17,26-30,41H,4-5,8-9,18-20,36H2,(H2,37,42)(H,38,44)(H,39,45)(H,40,43)/t26-,27-,28+,29?,30-/m0/s1
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Article
PubMed
1.5n/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))
BDBM50339238
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](Cc1ccccc1)C(=O)NC(Cc1ccc(F)cc1)C(N)=O |r|
Show InChI InChI=1S/C34H40FN5O5/c35-24-14-10-23(11-15-24)19-29(31(37)42)39-34(45)30(20-21-6-2-1-3-7-21)40-32(43)26-8-4-5-9-28(26)38-33(44)27(36)18-22-12-16-25(41)17-13-22/h1-3,6-7,10-17,26-30,41H,4-5,8-9,18-20,36H2,(H2,37,42)(H,38,44)(H,39,45)(H,40,43)/t26-,27-,28+,29?,30-/m0/s1
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Article
PubMed
366n/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))
BDBM50339238
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](Cc1ccccc1)C(=O)NC(Cc1ccc(F)cc1)C(N)=O |r|
Show InChI InChI=1S/C34H40FN5O5/c35-24-14-10-23(11-15-24)19-29(31(37)42)39-34(45)30(20-21-6-2-1-3-7-21)40-32(43)26-8-4-5-9-28(26)38-33(44)27(36)18-22-12-16-25(41)17-13-22/h1-3,6-7,10-17,26-30,41H,4-5,8-9,18-20,36H2,(H2,37,42)(H,38,44)(H,39,45)(H,40,43)/t26-,27-,28+,29?,30-/m0/s1
PDB

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UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/an/an/a 92n/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