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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50168141   
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))
BDBM50168141
PNG
(CHEMBL3797228)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3ccccc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1S/C27H30N2O2/c1-18-25-16-20-10-11-21(30)17-23(20)27(18,2)13-15-29(25)14-12-26(31)28-24-9-5-7-19-6-3-4-8-22(19)24/h3-11,17-18,25,30H,12-16H2,1-2H3,(H,28,31)/t18-,25+,27+/m0/s1
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Article
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38n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPN from rat MOR expressed in EE-HEK293 cell membranes by liquid scintillation counting


Bioorg Med Chem 24: 2832-42 (2016)


Article DOI: 10.1016/j.bmc.2016.05.005
BindingDB Entry DOI: 10.7270/Q2VH5QR0
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50168141
PNG
(CHEMBL3797228)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3ccccc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1S/C27H30N2O2/c1-18-25-16-20-10-11-21(30)17-23(20)27(18,2)13-15-29(25)14-12-26(31)28-24-9-5-7-19-6-3-4-8-22(19)24/h3-11,17-18,25,30H,12-16H2,1-2H3,(H,28,31)/t18-,25+,27+/m0/s1
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210n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPN from rat DOR expressed in EE-HEK293 cell membranes by liquid scintillation counting


Bioorg Med Chem 24: 2832-42 (2016)


Article DOI: 10.1016/j.bmc.2016.05.005
BindingDB Entry DOI: 10.7270/Q2VH5QR0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50168141
PNG
(CHEMBL3797228)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3ccccc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1S/C27H30N2O2/c1-18-25-16-20-10-11-21(30)17-23(20)27(18,2)13-15-29(25)14-12-26(31)28-24-9-5-7-19-6-3-4-8-22(19)24/h3-11,17-18,25,30H,12-16H2,1-2H3,(H,28,31)/t18-,25+,27+/m0/s1
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Article
PubMed
800n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPN from human KOR expressed in EE-HEK293 cell membranes by liquid scintillation counting


Bioorg Med Chem 24: 2832-42 (2016)


Article DOI: 10.1016/j.bmc.2016.05.005
BindingDB Entry DOI: 10.7270/Q2VH5QR0
More data for this
Ligand-Target Pair