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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 = 'BDBM50101628'   
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))
BDBM50101628
PNG
(2-Amino-1-[3-(benzylamino-methyl)-3,4-dihydro-1H-i...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNCc1ccccc1
Show InChI InChI=1S/C28H33N3O2/c1-19-12-25(32)13-20(2)26(19)15-27(29)28(33)31-18-23-11-7-6-10-22(23)14-24(31)17-30-16-21-8-4-3-5-9-21/h3-13,24,27,30,32H,14-18,29H2,1-2H3/t24-,27-/m0/s1
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.410n/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))
BDBM50101628
PNG
(2-Amino-1-[3-(benzylamino-methyl)-3,4-dihydro-1H-i...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNCc1ccccc1
Show InChI InChI=1S/C28H33N3O2/c1-19-12-25(32)13-20(2)26(19)15-27(29)28(33)31-18-23-11-7-6-10-22(23)14-24(31)17-30-16-21-8-4-3-5-9-21/h3-13,24,27,30,32H,14-18,29H2,1-2H3/t24-,27-/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 0.920n/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