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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50264567'   
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))
BDBM50264567
PNG
(CHEMBL4063074)
Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1
Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)
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Article
PubMed
91n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from recombinant human mu-opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting me...


Eur J Med Chem 130: 15-25 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50264567
PNG
(CHEMBL4063074)
Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1
Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)
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Article
PubMed
94n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opiod receptor expressed in CHO cells incubated for 60 mins by liquid scintillation counting method


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127236
BindingDB Entry DOI: 10.7270/Q2C82DVQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50264567
PNG
(CHEMBL4063074)
Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1
Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)
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Article
PubMed
n/an/a 23n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human mu-opioid receptor expressed in CHO cell membranes assessed as inhibition of DAMGO-induced [35S]GTPgammaS bi...


Eur J Med Chem 130: 15-25 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50264567
PNG
(CHEMBL4063074)
Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1
Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)
PDB

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Article
PubMed
n/an/a 29n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opiod receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding incubated for 4 ...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127236
BindingDB Entry DOI: 10.7270/Q2C82DVQ
More data for this
Ligand-Target Pair