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BDBM50246785 (2E,2'E)-N,N'-(Thiodiethane-2,1-diyl)bis[3-(3,4-dichlorophenyl) acrylamide]::CHEMBL488273

SMILES: Clc1ccc(\C=C\C(=O)NCCSCCNC(=O)\C=C\c2ccc(Cl)c(Cl)c2)cc1Cl

InChI Key: InChIKey=ZTQGUZMRJMYXNB-FCXRPNKRSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50246785   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50246785
PNG
((2E,2'E)-N,N'-(Thiodiethane-2,1-diyl)bis[3-(3,4-di...)
Show SMILES Clc1ccc(\C=C\C(=O)NCCSCCNC(=O)\C=C\c2ccc(Cl)c(Cl)c2)cc1Cl
Show InChI InChI=1S/C22H20Cl4N2O2S/c23-17-5-1-15(13-19(17)25)3-7-21(29)27-9-11-31-12-10-28-22(30)8-4-16-2-6-18(24)20(26)14-16/h1-8,13-14H,9-12H2,(H,27,29)(H,28,30)/b7-3+,8-4+
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase a in presence of glucose


Bioorg Med Chem 16: 8627-34 (2008)


Article DOI: 10.1016/j.bmc.2008.08.010
BindingDB Entry DOI: 10.7270/Q2T72H81
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50246785
PNG
((2E,2'E)-N,N'-(Thiodiethane-2,1-diyl)bis[3-(3,4-di...)
Show SMILES Clc1ccc(\C=C\C(=O)NCCSCCNC(=O)\C=C\c2ccc(Cl)c(Cl)c2)cc1Cl
Show InChI InChI=1S/C22H20Cl4N2O2S/c23-17-5-1-15(13-19(17)25)3-7-21(29)27-9-11-31-12-10-28-22(30)8-4-16-2-6-18(24)20(26)14-16/h1-8,13-14H,9-12H2,(H,27,29)(H,28,30)/b7-3+,8-4+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 450n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase a in absence of glucose


Bioorg Med Chem 16: 8627-34 (2008)


Article DOI: 10.1016/j.bmc.2008.08.010
BindingDB Entry DOI: 10.7270/Q2T72H81
More data for this
Ligand-Target Pair