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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 = 'BDBM425901'   
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))
BDBM425901
PNG
(US10512644, Compound alpha-6-mPEG7-O-Morphine)
Show SMILES COCCOCCOCCOCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:24,TLB:34:42:26:40.38.39,30:29:26:40.38.39|
Show InChI InChI=1S/C32H49NO10/c1-33-8-7-32-25-4-6-28(31(32)43-30-27(34)5-3-24(29(30)32)23-26(25)33)42-22-21-41-20-19-40-18-17-39-16-15-38-14-13-37-12-11-36-10-9-35-2/h3-6,25-26,28,31,34H,7-23H2,1-2H3/t25?,26?,28-,31-,32-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
56.9n/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))
BDBM425901
PNG
(US10512644, Compound alpha-6-mPEG7-O-Morphine)
Show SMILES COCCOCCOCCOCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:24,TLB:34:42:26:40.38.39,30:29:26:40.38.39|
Show InChI InChI=1S/C32H49NO10/c1-33-8-7-32-25-4-6-28(31(32)43-30-27(34)5-3-24(29(30)32)23-26(25)33)42-22-21-41-20-19-40-18-17-39-16-15-38-14-13-37-12-11-36-10-9-35-2/h3-6,25-26,28,31,34H,7-23H2,1-2H3/t25?,26?,28-,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/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