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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 = 'BDBM50148073'   
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


(Rattus norvegicus (rat))
BDBM50148073
PNG
(17-cyclopropylmethyl-3-methoxy-10-(3-phenylpropoxy...)
Show SMILES COc1cccc2C[C@H]3N(CC4CC4)CCC4(CC(=O)CC[C@@]34OCCCc3ccccc3)c12 |TLB:10:9:22:33.6.7|
Show InChI InChI=1S/C30H37NO3/c1-33-26-11-5-10-24-19-27-30(34-18-6-9-22-7-3-2-4-8-22)15-14-25(32)20-29(30,28(24)26)16-17-31(27)21-23-12-13-23/h2-5,7-8,10-11,23,27H,6,9,12-21H2,1H3/t27-,29?,30-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
1.69E+4n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity determined by displacing [3H][Ile5,6]deltorphin II from opioid receptor delta 1 in rat brain membranes


J Med Chem 47: 3242-7 (2004)


Article DOI: 10.1021/jm031126k
BindingDB Entry DOI: 10.7270/Q2TD9WT4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50148073
PNG
(17-cyclopropylmethyl-3-methoxy-10-(3-phenylpropoxy...)
Show SMILES COc1cccc2C[C@H]3N(CC4CC4)CCC4(CC(=O)CC[C@@]34OCCCc3ccccc3)c12 |TLB:10:9:22:33.6.7|
Show InChI InChI=1S/C30H37NO3/c1-33-26-11-5-10-24-19-27-30(34-18-6-9-22-7-3-2-4-8-22)15-14-25(32)20-29(30,28(24)26)16-17-31(27)21-23-12-13-23/h2-5,7-8,10-11,23,27H,6,9,12-21H2,1H3/t27-,29?,30-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 21n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Concentration necessary to produce 50% of the Emax value, i.e. to stimulate [35S]GTP-gamma-S, binding to recombinant human opioid receptor delta 1 ex...


J Med Chem 47: 3242-7 (2004)


Article DOI: 10.1021/jm031126k
BindingDB Entry DOI: 10.7270/Q2TD9WT4
More data for this
Ligand-Target Pair