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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 = 'BDBM50013939'   
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))
BDBM50013939
PNG
(CHEMBL95247 | Furan-2-carboxylic acid (3-methyl-1-...)
Show SMILES CC1CN(CCc2ccccc2)CCC1N(C(=O)c1ccco1)c1ccccc1
Show InChI InChI=1S/C25H28N2O2/c1-20-19-26(16-14-21-9-4-2-5-10-21)17-15-23(20)27(22-11-6-3-7-12-22)25(28)24-13-8-18-29-24/h2-13,18,20,23H,14-17,19H2,1H3
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.300n/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))
BDBM50013939
PNG
(CHEMBL95247 | Furan-2-carboxylic acid (3-methyl-1-...)
Show SMILES CC1CN(CCc2ccccc2)CCC1N(C(=O)c1ccco1)c1ccccc1
Show InChI InChI=1S/C25H28N2O2/c1-20-19-26(16-14-21-9-4-2-5-10-21)17-15-23(20)27(22-11-6-3-7-12-22)25(28)24-13-8-18-29-24/h2-13,18,20,23H,14-17,19H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.300n/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