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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 = 'BDBM50121645'   
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))
BDBM50121645
PNG
(2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)pr...)
Show SMILES C[C@H](NC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C30H33N5O3/c1-17-12-22(36)13-18(2)23(17)15-24(31)30(38)35-16-21-9-5-4-8-20(21)14-27(35)29(37)32-19(3)28-33-25-10-6-7-11-26(25)34-28/h4-13,19,24,27,36H,14-16,31H2,1-3H3,(H,32,37)(H,33,34)/t19-,24-,27?/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0470n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to Opioid receptor delta 1 of rat brain P2 synaptosomes


J Med Chem 45: 5556-63 (2002)


Article DOI: 10.1021/jm020336e
BindingDB Entry DOI: 10.7270/Q2BR8SWH
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50121645
PNG
(2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)pr...)
Show SMILES C[C@H](NC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C30H33N5O3/c1-17-12-22(36)13-18(2)23(17)15-24(31)30(38)35-16-21-9-5-4-8-20(21)14-27(35)29(37)32-19(3)28-33-25-10-6-7-11-26(25)34-28/h4-13,19,24,27,36H,14-16,31H2,1-3H3,(H,32,37)(H,33,34)/t19-,24-,27?/m0/s1
PDB

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KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0630n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to Opioid receptor delta 1 of rat brain P2 synaptosomes


J Med Chem 45: 5556-63 (2002)


Article DOI: 10.1021/jm020336e
BindingDB Entry DOI: 10.7270/Q2BR8SWH
More data for this
Ligand-Target Pair