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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 = 'BDBM50168140'   
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))
BDBM50168140
PNG
(CHEMBL3797702)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3cnccc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1S/C26H29N3O2/c1-17-24-14-18-6-7-20(30)15-22(18)26(17,2)10-13-29(24)12-9-25(31)28-23-5-3-4-19-16-27-11-8-21(19)23/h3-8,11,15-17,24,30H,9-10,12-14H2,1-2H3,(H,28,31)/t17-,24+,26+/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
50n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPN from rat MOR expressed in EE-HEK293 cell membranes by liquid scintillation counting


Bioorg Med Chem 24: 2832-42 (2016)


Article DOI: 10.1016/j.bmc.2016.05.005
BindingDB Entry DOI: 10.7270/Q2VH5QR0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50168140
PNG
(CHEMBL3797702)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3cnccc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1S/C26H29N3O2/c1-17-24-14-18-6-7-20(30)15-22(18)26(17,2)10-13-29(24)12-9-25(31)28-23-5-3-4-19-16-27-11-8-21(19)23/h3-8,11,15-17,24,30H,9-10,12-14H2,1-2H3,(H,28,31)/t17-,24+,26+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.00E+4n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at MOR in Dunkin-Hartley guinea pig ileum assessed as inhibition of EFS-induced contractions incubated for 60 mins


Bioorg Med Chem 24: 2832-42 (2016)


Article DOI: 10.1016/j.bmc.2016.05.005
BindingDB Entry DOI: 10.7270/Q2VH5QR0
More data for this
Ligand-Target Pair