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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50199953   
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))
BDBM50199953
PNG
(1-((7R,8R,9alphaR)-8-(3-hydroxyphenyl)-7,8-dimethy...)
Show SMILES C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)c1cccc(O)c1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C24H30N2O2/c1-18-16-25-11-12-26(23(28)13-19-7-4-3-5-8-19)17-21(25)15-24(18,2)20-9-6-10-22(27)14-20/h3-10,14,18,21,27H,11-13,15-17H2,1-2H3/t18-,21+,24+/m0/s1
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17n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
BindingDB Entry DOI: 10.7270/Q2CF9QW8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50199953
PNG
(1-((7R,8R,9alphaR)-8-(3-hydroxyphenyl)-7,8-dimethy...)
Show SMILES C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)c1cccc(O)c1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C24H30N2O2/c1-18-16-25-11-12-26(23(28)13-19-7-4-3-5-8-19)17-21(25)15-24(18,2)20-9-6-10-22(27)14-20/h3-10,14,18,21,27H,11-13,15-17H2,1-2H3/t18-,21+,24+/m0/s1
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71n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
BindingDB Entry DOI: 10.7270/Q2CF9QW8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50199953
PNG
(1-((7R,8R,9alphaR)-8-(3-hydroxyphenyl)-7,8-dimethy...)
Show SMILES C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)c1cccc(O)c1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C24H30N2O2/c1-18-16-25-11-12-26(23(28)13-19-7-4-3-5-8-19)17-21(25)15-24(18,2)20-9-6-10-22(27)14-20/h3-10,14,18,21,27H,11-13,15-17H2,1-2H3/t18-,21+,24+/m0/s1
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PubMed
540n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity assessed as inhibition of U50488-stimulated [35S]GTP-gamma-S binding to human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
BindingDB Entry DOI: 10.7270/Q2CF9QW8
More data for this
Ligand-Target Pair