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BDBM50135558 4-{3-Fluoro-2-[(4-nitro-pyridine-2-carbonyl)-amino]-phenoxy}-phthalic acid::CHEMBL133911

SMILES: OC(=O)c1ccc(Oc2cccc(F)c2NC(=O)c2cc(ccn2)[N+]([O-])=O)cc1C(O)=O

InChI Key: InChIKey=PDSGSWUNDWJOFE-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50135558   
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))
BDBM50135558
PNG
(4-{3-Fluoro-2-[(4-nitro-pyridine-2-carbonyl)-amino...)
Show SMILES OC(=O)c1ccc(Oc2cccc(F)c2NC(=O)c2cc(ccn2)[N+]([O-])=O)cc1C(O)=O
Show InChI InChI=1S/C20H12FN3O8/c21-14-2-1-3-16(32-11-4-5-12(19(26)27)13(9-11)20(28)29)17(14)23-18(25)15-8-10(24(30)31)6-7-22-15/h1-9H,(H,23,25)(H,26,27)(H,28,29)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HLGP(human liver glycogen phosphorylase)


Bioorg Med Chem Lett 13: 4125-8 (2003)


BindingDB Entry DOI: 10.7270/Q26M367F
More data for this
Ligand-Target Pair
Muscle glycogen phosphorylase


(Homo sapiens (Human))
BDBM50135558
PNG
(4-{3-Fluoro-2-[(4-nitro-pyridine-2-carbonyl)-amino...)
Show SMILES OC(=O)c1ccc(Oc2cccc(F)c2NC(=O)c2cc(ccn2)[N+]([O-])=O)cc1C(O)=O
Show InChI InChI=1S/C20H12FN3O8/c21-14-2-1-3-16(32-11-4-5-12(19(26)27)13(9-11)20(28)29)17(14)23-18(25)15-8-10(24(30)31)6-7-22-15/h1-9H,(H,23,25)(H,26,27)(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HMGP(human muscle glycogen phosphorylase)


Bioorg Med Chem Lett 13: 4125-8 (2003)


BindingDB Entry DOI: 10.7270/Q26M367F
More data for this
Ligand-Target Pair