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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 = 'BDBM50450656'   
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))
BDBM50450656
PNG
(CHEMBL2114469)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@]1(CCC[C@@H]1O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C32H43N5O8/c1-19(2)15-25(30(43)44)36-29(42)24(17-20-7-4-3-5-8-20)35-27(40)18-34-31(45)32(14-6-9-26(32)39)37-28(41)23(33)16-21-10-12-22(38)13-11-21/h3-5,7-8,10-13,19,23-26,38-39H,6,9,14-18,33H2,1-2H3,(H,34,45)(H,35,40)(H,36,42)(H,37,41)(H,43,44)/t23-,24-,25-,26+,32-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.0100n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against forskolin-stimulated cAMP production in chinese hamster ovary cells expressing Opioid receptor delta 1


Bioorg Med Chem Lett 8: 2027-32 (1999)


BindingDB Entry DOI: 10.7270/Q25T3KZ5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50450656
PNG
(CHEMBL2114469)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@]1(CCC[C@@H]1O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C32H43N5O8/c1-19(2)15-25(30(43)44)36-29(42)24(17-20-7-4-3-5-8-20)35-27(40)18-34-31(45)32(14-6-9-26(32)39)37-28(41)23(33)16-21-10-12-22(38)13-11-21/h3-5,7-8,10-13,19,23-26,38-39H,6,9,14-18,33H2,1-2H3,(H,34,45)(H,35,40)(H,36,42)(H,37,41)(H,43,44)/t23-,24-,25-,26+,32-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.0400n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Binding affinity against rat Opioid receptor delta 1 expressed in CHO cells determined by competitive inhibition of 1 nM [3H]DPDPE.


Bioorg Med Chem Lett 8: 2027-32 (1999)


BindingDB Entry DOI: 10.7270/Q25T3KZ5
More data for this
Ligand-Target Pair