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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 = 'BDBM50012148'   
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))
BDBM50012148
PNG
(CHEMBL3183148)
Show SMILES CCOC(=O)c1cc(C(=O)OC)c(C)nc1N1CCC(CC1)NC1CCCCC1O
Show InChI InChI=1S/C22H33N3O5/c1-4-30-22(28)17-13-16(21(27)29-3)14(2)23-20(17)25-11-9-15(10-12-25)24-18-7-5-6-8-19(18)26/h13,15,18-19,24,26H,4-12H2,1-3H3
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.59E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at GAL4-VP16-fused MOR (unknown origin) expressed in human U2OS cells assessed as inhibition of DAMGO-induced beta-arrestin migra...


J Med Chem 62: 1761-1780 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01679
BindingDB Entry DOI: 10.7270/Q2CV4N6Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50012148
PNG
(CHEMBL3183148)
Show SMILES CCOC(=O)c1cc(C(=O)OC)c(C)nc1N1CCC(CC1)NC1CCCCC1O
Show InChI InChI=1S/C22H33N3O5/c1-4-30-22(28)17-13-16(21(27)29-3)14(2)23-20(17)25-11-9-15(10-12-25)24-18-7-5-6-8-19(18)26/h13,15,18-19,24,26H,4-12H2,1-3H3
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-stimulated [35S]-GTP[gammaS] binding


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
BindingDB Entry DOI: 10.7270/Q2222WBX
More data for this
Ligand-Target Pair