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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 = 'BDBM50177894'   
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


(MOUSE)
BDBM50177894
PNG
(2-Fluoro-N-(1-phenethyl-piperidin-4-yl)-N-phenyl-p...)
Show SMILES CC(F)C(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C22H27FN2O/c1-18(23)22(26)25(20-10-6-3-7-11-20)21-13-16-24(17-14-21)15-12-19-8-4-2-5-9-19/h2-11,18,21H,12-17H2,1H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Binding constant for Opioid receptor mu 1 in mouse


Bioorg Med Chem Lett 15: 1773-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.049
BindingDB Entry DOI: 10.7270/Q28916M4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50177894
PNG
(2-Fluoro-N-(1-phenethyl-piperidin-4-yl)-N-phenyl-p...)
Show SMILES CC(F)C(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C22H27FN2O/c1-18(23)22(26)25(20-10-6-3-7-11-20)21-13-16-24(17-14-21)15-12-19-8-4-2-5-9-19/h2-11,18,21H,12-17H2,1H3
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from recombinant human mu opioid receptor


J Med Chem 48: 7720-32 (2005)


Article DOI: 10.1021/jm0507274
BindingDB Entry DOI: 10.7270/Q2G44PVB
More data for this
Ligand-Target Pair