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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 = 'BDBM50049383'   
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))
BDBM50049383
PNG
((S)-3-{[1-({1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-pr...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(CCCCC1)NC(=O)C1(CCCCC1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C39H60N8O10/c1-22(2)30(34(54)42-21-28(41)49)45-35(55)31(23(3)4)44-33(53)27(20-29(50)51)43-36(56)38(15-7-5-8-16-38)47-37(57)39(17-9-6-10-18-39)46-32(52)26(40)19-24-11-13-25(48)14-12-24/h11-14,22-23,26-27,30-31,48H,5-10,15-21,40H2,1-4H3,(H2,41,49)(H,42,54)(H,43,56)(H,44,53)(H,45,55)(H,46,52)(H,47,57)(H,50,51)/t26-,27-,30-,31-/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
1.48E+4n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAGO (1.28 nM) from Opioid receptor mu 1


J Med Chem 39: 773-80 (1996)


Article DOI: 10.1021/jm950490j
BindingDB Entry DOI: 10.7270/Q2QV3KKJ
More data for this
Ligand-Target Pair