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Compile Data Set for Download or QSAR

Found 4 hits of ec50 for monomerid = 50191056   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50191056
PNG
((S)-2-amino-3-(4-hydroxy-phenyl)-N-((R)-1-{[((S)-1...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C45H55N7O6/c1-32(49-44(57)39(46)29-35-17-19-38(53)20-18-35)43(56)48-31-41(54)50-40(30-34-13-7-3-8-14-34)45(58)47-25-21-42(55)52(36-15-9-4-10-16-36)37-23-27-51(28-24-37)26-22-33-11-5-2-6-12-33/h2-20,32,37,39-40,53H,21-31,46H2,1H3,(H,47,58)(H,48,56)(H,49,57)(H,50,54)/t32-,39+,40+/m1/s1
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Article
PubMed
n/an/an/an/a 60n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at rat mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50191056
PNG
((S)-2-amino-3-(4-hydroxy-phenyl)-N-((R)-1-{[((S)-1...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C45H55N7O6/c1-32(49-44(57)39(46)29-35-17-19-38(53)20-18-35)43(56)48-31-41(54)50-40(30-34-13-7-3-8-14-34)45(58)47-25-21-42(55)52(36-15-9-4-10-16-36)37-23-27-51(28-24-37)26-22-33-11-5-2-6-12-33/h2-20,32,37,39-40,53H,21-31,46H2,1H3,(H,47,58)(H,48,56)(H,49,57)(H,50,54)/t32-,39+,40+/m1/s1
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Article
PubMed
n/an/an/an/a 60n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50191056
PNG
((S)-2-amino-3-(4-hydroxy-phenyl)-N-((R)-1-{[((S)-1...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C45H55N7O6/c1-32(49-44(57)39(46)29-35-17-19-38(53)20-18-35)43(56)48-31-41(54)50-40(30-34-13-7-3-8-14-34)45(58)47-25-21-42(55)52(36-15-9-4-10-16-36)37-23-27-51(28-24-37)26-22-33-11-5-2-6-12-33/h2-20,32,37,39-40,53H,21-31,46H2,1H3,(H,47,58)(H,48,56)(H,49,57)(H,50,54)/t32-,39+,40+/m1/s1
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n/an/an/an/a 60n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50191056
PNG
((S)-2-amino-3-(4-hydroxy-phenyl)-N-((R)-1-{[((S)-1...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C45H55N7O6/c1-32(49-44(57)39(46)29-35-17-19-38(53)20-18-35)43(56)48-31-41(54)50-40(30-34-13-7-3-8-14-34)45(58)47-25-21-42(55)52(36-15-9-4-10-16-36)37-23-27-51(28-24-37)26-22-33-11-5-2-6-12-33/h2-20,32,37,39-40,53H,21-31,46H2,1H3,(H,47,58)(H,48,56)(H,49,57)(H,50,54)/t32-,39+,40+/m1/s1
PDB

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UniChem

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Article
PubMed
n/an/an/an/a 69n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at rat mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair