BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50514262'   
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))
BDBM50514262
PNG
(CHEMBL4576031)
Show SMILES C[C@H]1OC2(CCN(CCc3ccccc3F)CC2)CN(C1=O)c1cnccc1C(F)(F)F |r|
Show InChI InChI=1S/C23H25F4N3O2/c1-16-21(31)30(20-14-28-10-6-18(20)23(25,26)27)15-22(32-16)8-12-29(13-9-22)11-7-17-4-2-3-5-19(17)24/h2-6,10,14,16H,7-9,11-13,15H2,1H3/t16-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
11n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method


J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50514262
PNG
(CHEMBL4576031)
Show SMILES C[C@H]1OC2(CCN(CCc3ccccc3F)CC2)CN(C1=O)c1cnccc1C(F)(F)F |r|
Show InChI InChI=1S/C23H25F4N3O2/c1-16-21(31)30(20-14-28-10-6-18(20)23(25,26)27)15-22(32-16)8-12-29(13-9-22)11-7-17-4-2-3-5-19(17)24/h2-6,10,14,16H,7-9,11-13,15H2,1H3/t16-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 26n/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Agonist activity at human MOR expressed in CHOK1 cells assessed as stimulation of cAMP accumulation incubated for 45 mins by HTRF assay


J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair