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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 = 'BDBM425900'   
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))
BDBM425900
PNG
(US10512644, Compound alpha-6-mPEG6-O-Morphine)
Show SMILES COCCOCCOCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:21,TLB:31:39:23:37.35.36,27:26:23:37.35.36|
Show InChI InChI=1S/C30H45NO9/c1-31-8-7-30-23-4-6-26(29(30)40-28-25(32)5-3-22(27(28)30)21-24(23)31)39-20-19-38-18-17-37-16-15-36-14-13-35-12-11-34-10-9-33-2/h3-6,23-24,26,29,32H,7-21H2,1-2H3/t23?,24?,26-,29-,30-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
73n/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))
BDBM425900
PNG
(US10512644, Compound alpha-6-mPEG6-O-Morphine)
Show SMILES COCCOCCOCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:21,TLB:31:39:23:37.35.36,27:26:23:37.35.36|
Show InChI InChI=1S/C30H45NO9/c1-31-8-7-30-23-4-6-26(29(30)40-28-25(32)5-3-22(27(28)30)21-24(23)31)39-20-19-38-18-17-37-16-15-36-14-13-35-12-11-34-10-9-33-2/h3-6,23-24,26,29,32H,7-21H2,1-2H3/t23?,24?,26-,29-,30-/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 415n/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