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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 = 'BDBM50009264'   
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))
BDBM50009264
PNG
(CHEMBL3233193)
Show SMILES Cc1cc(C)c(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(N)=O)c(C)c1 |r|
Show InChI InChI=1S/C37H47N5O5/c1-21-14-22(2)29(23(3)15-21)20-31(34(39)44)40-35(45)32(18-26-10-7-6-8-11-26)41-36(46)33-12-9-13-42(33)37(47)30(38)19-28-24(4)16-27(43)17-25(28)5/h6-8,10-11,14-17,30-33,43H,9,12-13,18-20,38H2,1-5H3,(H2,39,44)(H,40,45)(H,41,46)/t30-,31-,32-,33-/m0/s1
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PC cid
PC sid
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Patents


Similars

Article
PubMed
0.370n/an/an/an/an/an/an/an/a



Nanjing Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membranes


Bioorg Med Chem 22: 2208-19 (2014)


Article DOI: 10.1016/j.bmc.2014.02.015
BindingDB Entry DOI: 10.7270/Q29Z96DB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50009264
PNG
(CHEMBL3233193)
Show SMILES Cc1cc(C)c(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(N)=O)c(C)c1 |r|
Show InChI InChI=1S/C37H47N5O5/c1-21-14-22(2)29(23(3)15-21)20-31(34(39)44)40-35(45)32(18-26-10-7-6-8-11-26)41-36(46)33-12-9-13-42(33)37(47)30(38)19-28-24(4)16-27(43)17-25(28)5/h6-8,10-11,14-17,30-33,43H,9,12-13,18-20,38H2,1-5H3,(H2,39,44)(H,40,45)(H,41,46)/t30-,31-,32-,33-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 67n/an/an/an/an/an/a



Nanjing Medical University

Curated by ChEMBL


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


Bioorg Med Chem 22: 2208-19 (2014)


Article DOI: 10.1016/j.bmc.2014.02.015
BindingDB Entry DOI: 10.7270/Q29Z96DB
More data for this
Ligand-Target Pair