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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 = 'BDBM50399637'   
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))
BDBM50399637
PNG
(CHEMBL2181195)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O |r|
Show InChI InChI=1S/C33H49N7O6/c1-5-6-14-28(29(35)42)40(4)32(45)27(18-22-11-8-7-9-12-22)39-31(44)26(13-10-15-37-33(36)46)38-30(43)25(34)19-24-20(2)16-23(41)17-21(24)3/h7-9,11-12,16-17,25-28,41H,5-6,10,13-15,18-19,34H2,1-4H3,(H2,35,42)(H,38,43)(H,39,44)(H3,36,37,46)/t25-,26+,27-,28-/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
2.92n/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