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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 = 'BDBM50521446'   
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))
BDBM50521446
PNG
(CHEMBL4473111)
Show SMILES OC(=O)C(F)(F)F.CC(=O)Nc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C27H31N3O3.C2HF3O2/c1-17-11-23(32)12-18(2)24(17)15-25(28)27(33)29-16-22-14-21(9-10-26(22)30-19(3)31)13-20-7-5-4-6-8-20;3-2(4,5)1(6)7/h4-12,14,25,32H,13,15-16,28H2,1-3H3,(H,29,33)(H,30,31);(H,6,7)/t25-;/m0./s1
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PC cid
PC sid
UniChem
Article
PubMed
7.90n/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))
BDBM50521446
PNG
(CHEMBL4473111)
Show SMILES OC(=O)C(F)(F)F.CC(=O)Nc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C27H31N3O3.C2HF3O2/c1-17-11-23(32)12-18(2)24(17)15-25(28)27(33)29-16-22-14-21(9-10-26(22)30-19(3)31)13-20-7-5-4-6-8-20;3-2(4,5)1(6)7/h4-12,14,25,32H,13,15-16,28H2,1-3H3,(H,29,33)(H,30,31);(H,6,7)/t25-;/m0./s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 117n/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