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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50101619'   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50101619
PNG
(2-Amino-1-(3-azidomethyl-3,4-dihydro-1H-isoquinoli...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CN=[N+]=[N-]
Show InChI InChI=1S/C21H25N5O2/c1-13-7-18(27)8-14(2)19(13)10-20(22)21(28)26-12-16-6-4-3-5-15(16)9-17(26)11-24-25-23/h3-8,17,20,27H,9-12,22H2,1-2H3/t17-,20-/m0/s1
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PC cid
PC sid
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Similars

PubMed
n/an/a 1.10n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)


BindingDB Entry DOI: 10.7270/Q25B01RW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50101619
PNG
(2-Amino-1-(3-azidomethyl-3,4-dihydro-1H-isoquinoli...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CN=[N+]=[N-]
Show InChI InChI=1S/C21H25N5O2/c1-13-7-18(27)8-14(2)19(13)10-20(22)21(28)26-12-16-6-4-3-5-15(16)9-17(26)11-24-25-23/h3-8,17,20,27H,9-12,22H2,1-2H3/t17-,20-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 49n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for delta-opioid receptor


J Med Chem 44: 2387-90 (2001)


BindingDB Entry DOI: 10.7270/Q25B01RW
More data for this
Ligand-Target Pair