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BDBM50194367 4-(5-(3-(3,4-dichlorophenyl)acrylamido)pentyl)-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide::CHEMBL220178

SMILES: COc1cccc(NC(=O)N2CCCN(CCCCCNC(=O)\C=C\c3ccc(Cl)c(Cl)c3)CC2)c1

InChI Key: InChIKey=GRSYDSUIMCPQLM-ZRDIBKRKSA-N

Data: 1 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 1 hit for monomerid = 50194367   
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))
BDBM50194367
PNG
(4-(5-(3-(3,4-dichlorophenyl)acrylamido)pentyl)-N-(...)
Show SMILES COc1cccc(NC(=O)N2CCCN(CCCCCNC(=O)\C=C\c3ccc(Cl)c(Cl)c3)CC2)c1
Show InChI InChI=1S/C27H34Cl2N4O3/c1-36-23-8-5-7-22(20-23)31-27(35)33-16-6-15-32(17-18-33)14-4-2-3-13-30-26(34)12-10-21-9-11-24(28)25(29)19-21/h5,7-12,19-20H,2-4,6,13-18H2,1H3,(H,30,34)(H,31,35)/b12-10+
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Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human liver GPa in presence of glucose


Bioorg Med Chem Lett 16: 5892-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.055
BindingDB Entry DOI: 10.7270/Q2VD6Z28
More data for this
Ligand-Target Pair