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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50174945   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50174945
PNG
((R)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...)
Show SMILES CCCS(=O)(=O)NCc1ccc2O[C@H](Cc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1
Show InChI InChI=1S/C26H35N3O5S/c1-3-13-35(32,33)27-16-19-9-10-24-21(14-19)15-25(34-24)26(31)28(2)23(20-7-5-4-6-8-20)18-29-12-11-22(30)17-29/h4-10,14,22-23,25,27,30H,3,11-13,15-18H2,1-2H3/t22-,23+,25+/m0/s1
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Article
PubMed
3.60n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonistic activity at kappa opioid receptor


Bioorg Med Chem Lett 15: 5114-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.094
BindingDB Entry DOI: 10.7270/Q23F4P6H
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50174945
PNG
((R)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...)
Show SMILES CCCS(=O)(=O)NCc1ccc2O[C@H](Cc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1
Show InChI InChI=1S/C26H35N3O5S/c1-3-13-35(32,33)27-16-19-9-10-24-21(14-19)15-25(34-24)26(31)28(2)23(20-7-5-4-6-8-20)18-29-12-11-22(30)17-29/h4-10,14,22-23,25,27,30H,3,11-13,15-18H2,1-2H3/t22-,23+,25+/m0/s1
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonistic activity at mu opioid receptor


Bioorg Med Chem Lett 15: 5114-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.094
BindingDB Entry DOI: 10.7270/Q23F4P6H
More data for this
Ligand-Target Pair