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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 = 'BDBM50125999'   
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))
BDBM50125999
PNG
((R)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O
Show InChI InChI=1S/C29H42N8O5/c1-17-13-20(38)14-18(2)21(17)16-22(30)26(40)36-23(9-6-11-35-29(32)33)28(42)37-24(15-19-7-4-3-5-8-19)27(41)34-12-10-25(31)39/h3-5,7-8,13-14,22-24,38H,6,9-12,15-16,30H2,1-2H3,(H2,31,39)(H,34,41)(H,36,40)(H,37,42)(H4,32,33,35)/t22-,23+,24-/m0/s1
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Similars

Article
PubMed
0.00205n/an/an/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-DAMGO from mu opioid receptor


Bioorg Med Chem Lett 13: 1269-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00110-0
BindingDB Entry DOI: 10.7270/Q2XS5TQ5
More data for this
Ligand-Target Pair