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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glycogen phosphorylase, liver form' and Ligand = 'BDBM50256072'   
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
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50256072
PNG
((S)-2-((1r,4S)-4-methylcyclohexyl)-2-(3-(3-(2,4,6-...)
Show SMILES C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C(O)=O |r,wU:7.8,4.4,wD:1.0,(-2.28,-28.91,;-2.28,-30.45,;-3.61,-31.23,;-3.61,-32.77,;-2.28,-33.53,;-.94,-32.75,;-.95,-31.22,;-2.27,-35.07,;-3.6,-35.84,;-3.59,-37.38,;-2.25,-38.15,;-4.92,-38.16,;-6.26,-37.4,;-7.58,-38.17,;-8.92,-37.41,;-10.25,-38.18,;-10.25,-39.73,;-8.91,-40.5,;-7.58,-39.72,;-6.25,-40.48,;-4.91,-39.71,;-3.57,-40.48,;-3.57,-42.02,;-4.9,-42.79,;-2.23,-42.78,;-2.23,-44.32,;-3.56,-45.09,;-4.89,-44.32,;-3.55,-46.63,;-2.21,-47.4,;-2.21,-48.94,;-.88,-46.61,;-.89,-45.08,;.44,-44.3,;-.93,-35.83,;-.92,-37.37,;.4,-35.05,)|
Show InChI InChI=1S/C27H26Cl3N3O4/c1-14-6-8-15(9-7-14)23(26(35)36)32-25(34)19-10-16-4-2-3-5-17(16)11-22(19)31-27(37)33-24-20(29)12-18(28)13-21(24)30/h2-5,10-15,23H,6-9H2,1H3,(H,32,34)(H,35,36)(H2,31,33,37)/t14-,15-,23-/m0/s1
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Article
PubMed
n/an/a 56n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50256072
PNG
((S)-2-((1r,4S)-4-methylcyclohexyl)-2-(3-(3-(2,4,6-...)
Show SMILES C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C(O)=O |r,wU:7.8,4.4,wD:1.0,(-2.28,-28.91,;-2.28,-30.45,;-3.61,-31.23,;-3.61,-32.77,;-2.28,-33.53,;-.94,-32.75,;-.95,-31.22,;-2.27,-35.07,;-3.6,-35.84,;-3.59,-37.38,;-2.25,-38.15,;-4.92,-38.16,;-6.26,-37.4,;-7.58,-38.17,;-8.92,-37.41,;-10.25,-38.18,;-10.25,-39.73,;-8.91,-40.5,;-7.58,-39.72,;-6.25,-40.48,;-4.91,-39.71,;-3.57,-40.48,;-3.57,-42.02,;-4.9,-42.79,;-2.23,-42.78,;-2.23,-44.32,;-3.56,-45.09,;-4.89,-44.32,;-3.55,-46.63,;-2.21,-47.4,;-2.21,-48.94,;-.88,-46.61,;-.89,-45.08,;.44,-44.3,;-.93,-35.83,;-.92,-37.37,;.4,-35.05,)|
Show InChI InChI=1S/C27H26Cl3N3O4/c1-14-6-8-15(9-7-14)23(26(35)36)32-25(34)19-10-16-4-2-3-5-17(16)11-22(19)31-27(37)33-24-20(29)12-18(28)13-21(24)30/h2-5,10-15,23H,6-9H2,1H3,(H,32,34)(H,35,36)(H2,31,33,37)/t14-,15-,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 845n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A in HepG2 cells assessed as forskolin-induced glycogenolysis


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair