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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM208991'   
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))
BDBM208991
PNG
(US9233167, a-6-mPEG2-O-Hydroxycodone)
Show SMILES COCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:21:29:11:27.25.26,16:15:11:27.25.26|
Show InChI InChI=1S/C23H33NO6/c1-24-9-8-22-19-15-4-5-16(27-3)20(19)30-21(22)17(29-13-12-28-11-10-26-2)6-7-23(22,25)18(24)14-15/h4-5,17-18,21,25H,6-14H2,1-3H3/t17-,18?,21-,22-,23+/m0/s1
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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
632 -35.4n/an/an/an/an/an/a25



Nektar Therapeutics

US Patent


Assay Description
Briefly, serial dilutions of the test compounds were placed in a 96-well plate to which were added SPA beads, membrane and radioligand. The assay con...


US Patent US9233167 (2016)


BindingDB Entry DOI: 10.7270/Q25T3J97
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM208991
PNG
(US9233167, a-6-mPEG2-O-Hydroxycodone)
Show SMILES COCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:21:29:11:27.25.26,16:15:11:27.25.26|
Show InChI InChI=1S/C23H33NO6/c1-24-9-8-22-19-15-4-5-16(27-3)20(19)30-21(22)17(29-13-12-28-11-10-26-2)6-7-23(22,25)18(24)14-15/h4-5,17-18,21,25H,6-14H2,1-3H3/t17-,18?,21-,22-,23+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.01E+3n/an/an/a25



Nektar Therapeutics

US Patent


Assay Description
Briefly, suspensions of cells expressing either the mu, kappa or delta opioid receptors were prepared in buffer containing 0.5 mM isobutyl-methyl xan...


US Patent US9233167 (2016)


BindingDB Entry DOI: 10.7270/Q25T3J97
More data for this
Ligand-Target Pair