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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 = 'BDBM50521437'   
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


(Rattus norvegicus (rat))
BDBM50521437
PNG
(CHEMBL4437304)
Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cc(Cc2ccccc2)ccc1Cl |r|
Show InChI InChI=1S/C25H27ClN2O2.C2HF3O2/c1-16-10-21(29)11-17(2)22(16)14-24(27)25(30)28-15-20-13-19(8-9-23(20)26)12-18-6-4-3-5-7-18;3-2(4,5)1(6)7/h3-11,13,24,29H,12,14-15,27H2,1-2H3,(H,28,30);(H,6,7)/t24-;/m0./s1
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B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
5.60n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat mu-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scintil...


J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50521437
PNG
(CHEMBL4437304)
Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cc(Cc2ccccc2)ccc1Cl |r|
Show InChI InChI=1S/C25H27ClN2O2.C2HF3O2/c1-16-10-21(29)11-17(2)22(16)14-24(27)25(30)28-15-20-13-19(8-9-23(20)26)12-18-6-4-3-5-7-18;3-2(4,5)1(6)7/h3-11,13,24,29H,12,14-15,27H2,1-2H3,(H,28,30);(H,6,7)/t24-;/m0./s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 250n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at rat Mu-type opioid receptor expressed in rat C6 cell membranes assessed as stimulation of [35S]GTPgammaS binding incubated for 1 ...


J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair