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Compile Data Set for Download or QSAR

Found 3 hits of ec50 for monomerid = 50402778   
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


(Homo sapiens (Human))
BDBM50402778
PNG
(CHEMBL2208361)
Show SMILES CC(C)Oc1ccc(cc1)-c1ccc(CCNC(=O)c2ccc3CC4C(C)C(C)(CCN4CC4CC4)c3c2)cc1 |TLB:32:31:25:22.36.23,37:36:25:31.30.29|
Show InChI InChI=1S/C36H44N2O2/c1-24(2)40-32-15-13-29(14-16-32)28-9-7-26(8-10-28)17-19-37-35(39)31-12-11-30-22-34-25(3)36(4,33(30)21-31)18-20-38(34)23-27-5-6-27/h7-16,21,24-25,27,34H,5-6,17-20,22-23H2,1-4H3,(H,37,39)
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Article
PubMed
n/an/an/an/a 2.30n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Partial agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 60 mins by scintillation countin...


Bioorg Med Chem Lett 22: 7340-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.081
BindingDB Entry DOI: 10.7270/Q2N017Q6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50402778
PNG
(CHEMBL2208361)
Show SMILES CC(C)Oc1ccc(cc1)-c1ccc(CCNC(=O)c2ccc3CC4C(C)C(C)(CCN4CC4CC4)c3c2)cc1 |TLB:32:31:25:22.36.23,37:36:25:31.30.29|
Show InChI InChI=1S/C36H44N2O2/c1-24(2)40-32-15-13-29(14-16-32)28-9-7-26(8-10-28)17-19-37-35(39)31-12-11-30-22-34-25(3)36(4,33(30)21-31)18-20-38(34)23-27-5-6-27/h7-16,21,24-25,27,34H,5-6,17-20,22-23H2,1-4H3,(H,37,39)
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Article
PubMed
n/an/an/an/a 5.40n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 7340-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.081
BindingDB Entry DOI: 10.7270/Q2N017Q6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50402778
PNG
(CHEMBL2208361)
Show SMILES CC(C)Oc1ccc(cc1)-c1ccc(CCNC(=O)c2ccc3CC4C(C)C(C)(CCN4CC4CC4)c3c2)cc1 |TLB:32:31:25:22.36.23,37:36:25:31.30.29|
Show InChI InChI=1S/C36H44N2O2/c1-24(2)40-32-15-13-29(14-16-32)28-9-7-26(8-10-28)17-19-37-35(39)31-12-11-30-22-34-25(3)36(4,33(30)21-31)18-20-38(34)23-27-5-6-27/h7-16,21,24-25,27,34H,5-6,17-20,22-23H2,1-4H3,(H,37,39)
PDB

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KEGG

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 18n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 7340-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.081
BindingDB Entry DOI: 10.7270/Q2N017Q6
More data for this
Ligand-Target Pair