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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 = 'BDBM50013938'   
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))
BDBM50013938
PNG
(2-Methoxy-N-(3-methyl-1-phenethyl-piperidin-4-yl)-...)
Show SMILES COCC(=O)N(C1CCN(CCc2ccccc2)CC1C)c1ccccc1
Show InChI InChI=1S/C23H30N2O2/c1-19-17-24(15-13-20-9-5-3-6-10-20)16-14-22(19)25(23(26)18-27-2)21-11-7-4-8-12-21/h3-12,19,22H,13-18H2,1-2H3
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UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.330n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.


J Med Chem 33: 2876-82 (1990)


BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50013938
PNG
(2-Methoxy-N-(3-methyl-1-phenethyl-piperidin-4-yl)-...)
Show SMILES COCC(=O)N(C1CCN(CCc2ccccc2)CC1C)c1ccccc1
Show InChI InChI=1S/C23H30N2O2/c1-19-17-24(15-13-20-9-5-3-6-10-20)16-14-22(19)25(23(26)18-27-2)21-11-7-4-8-12-21/h3-12,19,22H,13-18H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.330n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.


J Med Chem 33: 2876-82 (1990)


BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair