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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 = 'BDBM50375297'   
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))
BDBM50375297
PNG
(CHEMBL260127)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC1Cc2ccccc2C1
Show InChI InChI=1S/C31H35N3O3/c1-19-11-26(35)12-20(2)27(19)16-28(32)31(37)34-18-25-10-6-5-9-24(25)15-29(34)30(36)33-17-21-13-22-7-3-4-8-23(22)14-21/h3-12,21,28-29,35H,13-18,32H2,1-2H3,(H,33,36)/t28-,29-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.160n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor in Sprague-Dawley rat brain membrane


Bioorg Med Chem 16: 3032-8 (2008)


Article DOI: 10.1016/j.bmc.2007.12.032
BindingDB Entry DOI: 10.7270/Q2NZ88H7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50375297
PNG
(CHEMBL260127)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC1Cc2ccccc2C1
Show InChI InChI=1S/C31H35N3O3/c1-19-11-26(35)12-20(2)27(19)16-28(32)31(37)34-18-25-10-6-5-9-24(25)15-29(34)30(36)33-17-21-13-22-7-3-4-8-23(22)14-21/h3-12,21,28-29,35H,13-18,32H2,1-2H3,(H,33,36)/t28-,29-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 28.4n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor assessed as inhibition of electrically-stimulated Hartely guinea pig contraction


Bioorg Med Chem 16: 3032-8 (2008)


Article DOI: 10.1016/j.bmc.2007.12.032
BindingDB Entry DOI: 10.7270/Q2NZ88H7
More data for this
Ligand-Target Pair