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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 = 'BDBM50056627'   
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))
BDBM50056627
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-(2-napht...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccc2ccccc2c1 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C31H29NO4/c33-24-10-9-22-15-25-31(35)16-23(14-19-7-8-20-3-1-2-4-21(20)13-19)27(34)29-30(31,26(22)28(24)36-29)11-12-32(25)17-18-5-6-18/h1-4,7-10,13-14,18,25,29,33,35H,5-6,11-12,15-17H2/t25-,29+,30?,31-/m1/s1
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PC cid
PC sid
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Similars

PubMed
39n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity evaluated by inhibition of binding of [3H]DADLE to delta opioid receptor of rat brain


Bioorg Med Chem Lett 9: 357-62 (1999)


BindingDB Entry DOI: 10.7270/Q2794565
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50056627
PNG
(4-cyclopropylmethyl-10,17-dihydroxy-15-[1-(2-napht...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccc2ccccc2c1 |w:25.31,THB:8:7:23:18.4.5|
Show InChI InChI=1S/C31H29NO4/c33-24-10-9-22-15-25-31(35)16-23(14-19-7-8-20-3-1-2-4-21(20)13-19)27(34)29-30(31,26(22)28(24)36-29)11-12-32(25)17-18-5-6-18/h1-4,7-10,13-14,18,25,29,33,35H,5-6,11-12,15-17H2/t25-,29+,30?,31-/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
39n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DPDPE from Opioid receptor delta 1


J Med Chem 40: 749-53 (1997)


Article DOI: 10.1021/jm960573f
BindingDB Entry DOI: 10.7270/Q29887P2
More data for this
Ligand-Target Pair