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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 = 'BDBM208994'   
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))
BDBM208994
PNG
(US9233167, a-6-mPEG5-O-Hydroxycodone)
Show SMILES COCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:30:38:20:36.34.35,25:24:20:36.34.35|
Show InChI InChI=1S/C29H45NO9/c1-30-9-8-28-25-21-4-5-22(33-3)26(25)39-27(28)23(6-7-29(28,31)24(30)20-21)38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-32-2/h4-5,23-24,27,31H,6-20H2,1-3H3/t23-,24?,27-,28-,29+/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.86E+3 -32.7n/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))
BDBM208994
PNG
(US9233167, a-6-mPEG5-O-Hydroxycodone)
Show SMILES COCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:30:38:20:36.34.35,25:24:20:36.34.35|
Show InChI InChI=1S/C29H45NO9/c1-30-9-8-28-25-21-4-5-22(33-3)26(25)39-27(28)23(6-7-29(28,31)24(30)20-21)38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-32-2/h4-5,23-24,27,31H,6-20H2,1-3H3/t23-,24?,27-,28-,29+/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 5.04E+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