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SMILES: C[C@H]([C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1

InChI Key: InChIKey=BHRXNCNPQWWEGY-ZNUKHNLPSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50339235   
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))
BDBM50339235
PNG
((1S,2R)-N-((S)-1-((2S,3S)-1-amino-1-oxo-3-phenylbu...)
Show SMILES C[C@H]([C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C37H44N6O5/c1-22(24-9-3-2-4-10-24)33(34(39)45)43-37(48)32(20-25-21-40-30-13-7-5-11-27(25)30)42-35(46)28-12-6-8-14-31(28)41-36(47)29(38)19-23-15-17-26(44)18-16-23/h2-5,7,9-11,13,15-18,21-22,28-29,31-33,40,44H,6,8,12,14,19-20,38H2,1H3,(H2,39,45)(H,41,47)(H,42,46)(H,43,48)/t22-,28-,29-,31+,32-,33-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
4.20n/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))
BDBM50339235
PNG
((1S,2R)-N-((S)-1-((2S,3S)-1-amino-1-oxo-3-phenylbu...)
Show SMILES C[C@H]([C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C37H44N6O5/c1-22(24-9-3-2-4-10-24)33(34(39)45)43-37(48)32(20-25-21-40-30-13-7-5-11-27(25)30)42-35(46)28-12-6-8-14-31(28)41-36(47)29(38)19-23-15-17-26(44)18-16-23/h2-5,7,9-11,13,15-18,21-22,28-29,31-33,40,44H,6,8,12,14,19-20,38H2,1H3,(H2,39,45)(H,41,47)(H,42,46)(H,43,48)/t22-,28-,29-,31+,32-,33-/m0/s1
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Article
PubMed
1.44E+3n/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))
BDBM50339235
PNG
((1S,2R)-N-((S)-1-((2S,3S)-1-amino-1-oxo-3-phenylbu...)
Show SMILES C[C@H]([C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C37H44N6O5/c1-22(24-9-3-2-4-10-24)33(34(39)45)43-37(48)32(20-25-21-40-30-13-7-5-11-27(25)30)42-35(46)28-12-6-8-14-31(28)41-36(47)29(38)19-23-15-17-26(44)18-16-23/h2-5,7,9-11,13,15-18,21-22,28-29,31-33,40,44H,6,8,12,14,19-20,38H2,1H3,(H2,39,45)(H,41,47)(H,42,46)(H,43,48)/t22-,28-,29-,31+,32-,33-/m0/s1
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Article
PubMed
n/an/an/an/a 264n/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