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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 = 'BDBM50009187'   
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))
BDBM50009187
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=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/C40H58N8O10S2/c1-23(2)18-31(40(58)46-29(15-17-60-4)38(56)47-30(35(42)53)21-34(51)52)44-33(50)22-43-37(55)32(20-24-8-6-5-7-9-24)48-39(57)28(14-16-59-3)45-36(54)27(41)19-25-10-12-26(49)13-11-25/h5-13,23,27-32,49H,14-22,41H2,1-4H3,(H2,42,53)(H,43,55)(H,44,50)(H,45,54)(H,46,58)(H,47,56)(H,48,57)(H,51,52)/t27-,28-,29-,30-,31-,32-/m0/s1
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Similars

Article
PubMed
n/an/a 161n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 binding affinity in rat brain membrane preparations by the displacement of [3H]- DAGO


J Med Chem 34: 1656-61 (1991)


Article DOI: 10.1021/jm00109a019
BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair