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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 = 'BDBM208988'   
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))
BDBM208988
PNG
(US9233167, a-6-mPEG7-O-Morphine)
Show SMILES COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:35:43:26:41.39.40,31:30:26:41.39.40|
Show InChI InChI=1S/C32H51NO11/c1-33-8-7-31-28-24-3-4-25(34)29(28)44-30(31)26(5-6-32(31,35)27(33)23-24)43-22-21-42-20-19-41-18-17-40-16-15-39-14-13-38-12-11-37-10-9-36-2/h3-4,26-27,30,34-35H,5-23H2,1-2H3/t26-,27?,30-,31-,32+/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
56.9 -41.4n/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))
BDBM208988
PNG
(US9233167, a-6-mPEG7-O-Morphine)
Show SMILES COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:35:43:26:41.39.40,31:30:26:41.39.40|
Show InChI InChI=1S/C32H51NO11/c1-33-8-7-31-28-24-3-4-25(34)29(28)44-30(31)26(5-6-32(31,35)27(33)23-24)43-22-21-42-20-19-41-18-17-40-16-15-39-14-13-38-12-11-37-10-9-36-2/h3-4,26-27,30,34-35H,5-23H2,1-2H3/t26-,27?,30-,31-,32+/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 508n/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