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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 = 'BDBM50123654'   
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))
BDBM50123654
PNG
(CHEMBL157660 | {3-[(R)-((2S,5R)-4-Allyl-2,5-dimeth...)
Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N2CCCc3ccccc23)[C@@H](C)CN1CC=C
Show InChI InChI=1S/C32H37N3O2/c1-4-17-33-21-24(3)35(22-23(33)2)31(27-12-8-15-29(36)20-27)26-11-7-13-28(19-26)32(37)34-18-9-14-25-10-5-6-16-30(25)34/h4-8,10-13,15-16,19-20,23-24,31,36H,1,9,14,17-18,21-22H2,2-3H3/t23-,24+,31-/m1/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
1.18n/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