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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Opioid receptors; mu & delta' and Ligand = 'BDBM50009150'   
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009150
PNG
(3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
Show InChI InChI=1S/C42H56N10O12S2/c1-65-14-12-28(47-37(59)27(43)16-24-8-10-26(53)11-9-24)39(61)50-31(17-23-6-4-3-5-7-23)40(62)51-33(20-35(56)57)42(64)52-32(19-34(54)55)41(63)48-29(13-15-66-2)38(60)49-30(36(44)58)18-25-21-45-22-46-25/h3-11,21-22,27-33,53H,12-20,43H2,1-2H3,(H2,44,58)(H,45,46)(H,47,59)(H,48,63)(H,49,60)(H,50,61)(H,51,62)(H,52,64)(H,54,55)(H,56,57)/t27-,28+,29-,30-,31-,32-,33-/m0/s1
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Similars

Article
PubMed
1.90E+3n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 in P2 membrane preparation of rat brain by [3H]DADLE displacement.


J Med Chem 34: 1350-5 (1991)


Article DOI: 10.1021/jm00108a017
BindingDB Entry DOI: 10.7270/Q2ZW1MHT
More data for this
Ligand-Target Pair