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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Opioid receptors; mu & delta' and Ligand = 'BDBM50154040'   
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))
BDBM50154040
PNG
(2-Amino-1-[3-(1H-benzoimidazol-2-yl)-3,4-dihydro-1...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H24N4O2/c26-20(13-16-9-11-19(30)12-10-16)25(31)29-15-18-6-2-1-5-17(18)14-23(29)24-27-21-7-3-4-8-22(21)28-24/h1-12,20,23,30H,13-15,26H2,(H,27,28)/t20-,23-/m0/s1
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50n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50154040
PNG
(2-Amino-1-[3-(1H-benzoimidazol-2-yl)-3,4-dihydro-1...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H24N4O2/c26-20(13-16-9-11-19(30)12-10-16)25(31)29-15-18-6-2-1-5-17(18)14-23(29)24-27-21-7-3-4-8-22(21)28-24/h1-12,20,23,30H,13-15,26H2,(H,27,28)/t20-,23-/m0/s1
PDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
50n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair