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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nociceptin/mu opioid receptor' and Ligand = 'BDBM50399635'   
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50399635
PNG
(CHEMBL2181192)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H]1Cc2ccccc2CN([C@@H](CCCCN)C(N)=O)C1=O |r|
Show InChI InChI=1S/C33H48N8O6/c1-19-14-23(42)15-20(2)24(19)17-25(35)30(44)39-26(10-7-13-38-33(37)47)31(45)40-27-16-21-8-3-4-9-22(21)18-41(32(27)46)28(29(36)43)11-5-6-12-34/h3-4,8-9,14-15,25-28,42H,5-7,10-13,16-18,34-35H2,1-2H3,(H2,36,43)(H,39,44)(H,40,45)(H3,37,38,47)/t25-,26+,27-,28-/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
2.62n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes after 2 hrs


J Med Chem 55: 9549-61 (2012)


Article DOI: 10.1021/jm3008079
BindingDB Entry DOI: 10.7270/Q2TM7C82
More data for this
Ligand-Target Pair