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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 = 'BDBM50142690'   
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))
BDBM50142690
PNG
(CHEMBL3759489)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)c6[nH]c7ccccc7c6C[C@]1(CCCc1ccccc1)[C@@]5(CCN2C)c34 |r,TLB:36:35:3.37.2:22|
Show InChI InChI=1/C33H34N2O2/c1-31-30-24(23-12-6-7-13-25(23)34-30)20-32(16-8-11-21-9-4-3-5-10-21)27-19-22-14-15-26(36)29(37-31)28(22)33(31,32)17-18-35(27)2/h3-7,9-10,12-15,27,34,36H,8,11,16-20H2,1-2H3/t27-,31+,32+,33+/s2
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UniProtKB/SwissProt

B.MOAD
DrugBank
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
10n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor (unknown origin)


Eur J Med Chem 108: 211-28 (2016)


BindingDB Entry DOI: 10.7270/Q2R2137W
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50142690
PNG
(CHEMBL3759489)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)c6[nH]c7ccccc7c6C[C@]1(CCCc1ccccc1)[C@@]5(CCN2C)c34 |r,TLB:36:35:3.37.2:22|
Show InChI InChI=1/C33H34N2O2/c1-31-30-24(23-12-6-7-13-25(23)34-30)20-32(16-8-11-21-9-4-3-5-10-21)27-19-22-14-15-26(36)29(37-31)28(22)33(31,32)17-18-35(27)2/h3-7,9-10,12-15,27,34,36H,8,11,16-20H2,1-2H3/t27-,31+,32+,33+/s2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 45n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor (unknown origin) assessed as [35S]GTPgammaS binding by cell based assay


Eur J Med Chem 108: 211-28 (2016)


BindingDB Entry DOI: 10.7270/Q2R2137W
More data for this
Ligand-Target Pair