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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 = 'BDBM50123653'   
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))
BDBM50123653
PNG
(3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...)
Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2ccc(cc2)[N+]([O-])=O)[C@@H](C)CN1CC=C
Show InChI InChI=1S/C30H34N4O4/c1-5-16-32-19-22(3)33(20-21(32)2)29(24-9-7-11-28(35)18-24)23-8-6-10-25(17-23)30(36)31(4)26-12-14-27(15-13-26)34(37)38/h5-15,17-18,21-22,29,35H,1,16,19-20H2,2-4H3/t21-,22+,29-/m1/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
2.41n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity of compound evaluated for Opioid receptor delta 1 isolated from rat brain


J Med Chem 46: 623-33 (2003)


Article DOI: 10.1021/jm020395s
BindingDB Entry DOI: 10.7270/Q2DZ0915
More data for this
Ligand-Target Pair