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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50009271'   
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))
BDBM50009271
PNG
(CHEMBL3233014)
Show SMILES Cc1cc(C)c(C[C@H](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/C28H38N4O4/c1-15-9-16(2)22(17(3)10-15)14-24(26(30)34)31-27(35)25-7-6-8-32(25)28(36)23(29)13-21-18(4)11-20(33)12-19(21)5/h9-12,23-25,33H,6-8,13-14,29H2,1-5H3,(H2,30,34)(H,31,35)/t23-,24-,25-/m0/s1
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Article
PubMed
0.130n/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)
BDBM50009271
PNG
(CHEMBL3233014)
Show SMILES Cc1cc(C)c(C[C@H](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/C28H38N4O4/c1-15-9-16(2)22(17(3)10-15)14-24(26(30)34)31-27(35)25-7-6-8-32(25)28(36)23(29)13-21-18(4)11-20(33)12-19(21)5/h9-12,23-25,33H,6-8,13-14,29H2,1-5H3,(H2,30,34)(H,31,35)/t23-,24-,25-/m0/s1
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PubMed
n/an/a 2.70n/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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50009271
PNG
(CHEMBL3233014)
Show SMILES Cc1cc(C)c(C[C@H](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/C28H38N4O4/c1-15-9-16(2)22(17(3)10-15)14-24(26(30)34)31-27(35)25-7-6-8-32(25)28(36)23(29)13-21-18(4)11-20(33)12-19(21)5/h9-12,23-25,33H,6-8,13-14,29H2,1-5H3,(H2,30,34)(H,31,35)/t23-,24-,25-/m0/s1
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Article
PubMed
n/an/an/an/a 19n/an/an/an/a



Nanjing Medical University

Curated by ChEMBL


Assay Description
Agonist activity at GFP-fused mu opioid receptor (unknown origin) expressed in HEK293 cells assessed as recruitment of beta-arrestin-2 after 10 mins ...


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