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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 = 'BDBM50000516'   
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))
BDBM50000516
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C45H64N10O10S/c1-5-6-12-32(50-40(60)31(46)20-28-13-15-30(56)16-14-28)41(61)54-36(21-27-10-8-7-9-11-27)44(64)55-37(22-29-24-48-25-49-29)45(65)53-35(19-26(2)3)43(63)51-33(17-18-66-4)42(62)52-34(39(47)59)23-38(57)58/h7-11,13-16,24-26,31-37,56H,5-6,12,17-23,46H2,1-4H3,(H2,47,59)(H,48,49)(H,50,60)(H,51,63)(H,52,62)(H,53,65)(H,54,61)(H,55,64)(H,57,58)/t31-,32-,33-,34-,35-,36-,37-/m0/s1
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Similars

Article
PubMed
33n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against opioid receptor mu using [3H]-DAGO as radioligand.


J Med Chem 35: 1222-7 (1992)


Article DOI: 10.1021/jm00085a009
BindingDB Entry DOI: 10.7270/Q29P30K2
More data for this
Ligand-Target Pair