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Compile Data Set for Download or QSAR

Found 3 hits with Last Name = 'fitzmorris' and Initial = 'pe'   
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))
BDBM50297506
PNG
(CHEMBL551074 | l7-(cyclopropylmethyl)-3,l4-dihydro...)
Show SMILES CS(=O)(=O)O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Show InChI InChI=1S/C21H27NO6S/c1-29(25,26)28-15-6-7-21(24)16-10-13-4-5-14(23)18-17(13)20(21,19(15)27-18)8-9-22(16)11-12-2-3-12/h4-5,12,15-16,19,23-24H,2-3,6-11H2,1H3/t15-,16-,19+,20+,21-/m1/s1
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Article
PubMed
1.10n/an/an/an/an/an/an/an/a



University of New England

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor


Bioorg Med Chem Lett 22: 6801-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.056
BindingDB Entry DOI: 10.7270/Q28G8MSQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50297506
PNG
(CHEMBL551074 | l7-(cyclopropylmethyl)-3,l4-dihydro...)
Show SMILES CS(=O)(=O)O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Show InChI InChI=1S/C21H27NO6S/c1-29(25,26)28-15-6-7-21(24)16-10-13-4-5-14(23)18-17(13)20(21,19(15)27-18)8-9-22(16)11-12-2-3-12/h4-5,12,15-16,19,23-24H,2-3,6-11H2,1H3/t15-,16-,19+,20+,21-/m1/s1
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Article
PubMed
n/an/an/an/a 2.60n/an/an/an/a



University of New England

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant mu opioid receptor expressed in CHO cells after 3 hrs by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 6801-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.056
BindingDB Entry DOI: 10.7270/Q28G8MSQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50001709
PNG
(4-cyclopropylmethyl-(13R)-12-oxa-4-azapentacyclo[9...)
Show SMILES O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Show InChI InChI=1S/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15-,18+,19+,20-/m1/s1
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Similars

Article
PubMed
n/an/an/an/a 1.20n/an/an/an/a



University of New England

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant mu opioid receptor expressed in CHO cells after 3 hrs by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 6801-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.056
BindingDB Entry DOI: 10.7270/Q28G8MSQ
More data for this
Ligand-Target Pair