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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 = 'BDBM50173993'   
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))
BDBM50173993
PNG
(CHEMBL3809017)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1Cl |r|
Show InChI InChI=1S/C25H26ClNO2/c1-27(2)16-20-12-10-18-14-17(22-8-3-4-9-24(22)26)11-13-23(18)25(20,29)19-6-5-7-21(28)15-19/h3-9,11,13-15,20,28-29H,10,12,16H2,1-2H3/t20-,25+/m1/s1
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DrugBank
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PC cid
PC sid
UniChem

Similars

Article
PubMed
160n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00423
BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50173993
PNG
(CHEMBL3809017)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1Cl |r|
Show InChI InChI=1S/C25H26ClNO2/c1-27(2)16-20-12-10-18-14-17(22-8-3-4-9-24(22)26)11-13-23(18)25(20,29)19-6-5-7-21(28)15-19/h3-9,11,13-15,20,28-29H,10,12,16H2,1-2H3/t20-,25+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 950n/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Agonist activity at human DOR expressed in CHO cell membranes after 60 mins by [35S]GTP-gamma-S binding assay


ACS Med Chem Lett 7: 391-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00423
BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair