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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 = 'BDBM425908'   
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))
BDBM425908
PNG
(US10512644, Compound alpha-6-mPEG5-O-Hydroxycodone)
Show SMILES COCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(CO)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/c1-30-8-7-28-25-21-3-4-22(20-31)26(25)39-27(28)23(5-6-29(28,32)24(30)19-21)38-18-17-37-16-15-36-14-13-35-12-11-34-10-9-33-2/h3-4,23-24,27,31-32H,5-20H2,1-2H3/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+3n/an/an/an/an/an/an/an/a



Inheris Pharmaceuticals, Inc.

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 US10512644 (2019)


BindingDB Entry DOI: 10.7270/Q2RN3B8V
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM425908
PNG
(US10512644, Compound alpha-6-mPEG5-O-Hydroxycodone)
Show SMILES COCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(CO)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/c1-30-8-7-28-25-21-3-4-22(20-31)26(25)39-27(28)23(5-6-29(28,32)24(30)19-21)38-18-17-37-16-15-36-14-13-35-12-11-34-10-9-33-2/h3-4,23-24,27,31-32H,5-20H2,1-2H3/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/an/a



Inheris Pharmaceuticals, Inc.

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 US10512644 (2019)


BindingDB Entry DOI: 10.7270/Q2RN3B8V
More data for this
Ligand-Target Pair