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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 = 'BDBM50096787'   
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))
BDBM50096787
PNG
(CHEMBL3580749)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C39H47F2N7O7/c1-21-14-26(49)15-22(2)27(21)19-29(42)36(52)45-30-10-6-7-13-44-34(50)20-31(35(43)51)46-39(55)33(17-24-11-12-25(40)18-28(24)41)48-38(54)32(47-37(30)53)16-23-8-4-3-5-9-23/h3-5,8-9,11-12,14-15,18,29-33,49H,6-7,10,13,16-17,19-20,42H2,1-2H3,(H2,43,51)(H,44,50)(H,45,52)(H,46,55)(H,47,53)(H,48,54)/t29-,30+,31-,32-,33-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin-2 from delta opioid receptor in Wistar rat brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
BindingDB Entry DOI: 10.7270/Q2FF3V3Z
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50096787
PNG
(CHEMBL3580749)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C39H47F2N7O7/c1-21-14-26(49)15-22(2)27(21)19-29(42)36(52)45-30-10-6-7-13-44-34(50)20-31(35(43)51)46-39(55)33(17-24-11-12-25(40)18-28(24)41)48-38(54)32(47-37(30)53)16-23-8-4-3-5-9-23/h3-5,8-9,11-12,14-15,18,29-33,49H,6-7,10,13,16-17,19-20,42H2,1-2H3,(H2,43,51)(H,44,50)(H,45,52)(H,46,55)(H,47,53)(H,48,54)/t29-,30+,31-,32-,33-/m0/s1
PDB

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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 8.70n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in CHO cells co-expressing Galphaq66Di5 assessed as stimulation of calcium rele...


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
BindingDB Entry DOI: 10.7270/Q2FF3V3Z
More data for this
Ligand-Target Pair