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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 = 'BDBM71619'   
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))
BDBM71619
PNG
(KSC-1-278 | KUC104646N | cid_45100475)
Show SMILES COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncc(Br)cc3n3cccc3c2=O)CC1
Show InChI InChI=1S/C26H29BrN6O3/c1-36-21-7-5-20(6-8-21)31-14-12-30(13-15-31)10-3-9-28-24(34)18-33-25-23(16-19(27)17-29-25)32-11-2-4-22(32)26(33)35/h2,4-8,11,16-17H,3,9-10,12-15,18H2,1H3,(H,28,34)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a>3.20E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of delta opioid receptor (unknown origin) using SNC-80 by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
BindingDB Entry DOI: 10.7270/Q2222WBX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM71619
PNG
(KSC-1-278 | KUC104646N | cid_45100475)
Show SMILES COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncc(Br)cc3n3cccc3c2=O)CC1
Show InChI InChI=1S/C26H29BrN6O3/c1-36-21-7-5-20(6-8-21)31-14-12-30(13-15-31)10-3-9-28-24(34)18-33-25-23(16-19(27)17-29-25)32-11-2-4-22(32)26(33)35/h2,4-8,11,16-17H,3,9-10,12-15,18H2,1H3,(H,28,34)
PDB

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KEGG

UniProtKB/SwissProt

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

Similars

PCBioAssay
n/an/a>3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2G73C59
More data for this
Ligand-Target Pair