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BDBM50149303 4-[2-(3-Nitro-benzoylamino)-phenoxy]-phthalic acid::4-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID::CHEMBL326611

SMILES: OC(=O)c1ccc(Oc2ccccc2NC(=O)c2cccc(c2)[N+]([O-])=O)cc1C(O)=O

InChI Key: InChIKey=NAQUAVBNIYTIIS-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50149303   
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
Muscle glycogen phosphorylase


(Homo sapiens (Human))
BDBM50149303
PNG
(4-[2-(3-Nitro-benzoylamino)-phenoxy]-phthalic acid...)
Show SMILES OC(=O)c1ccc(Oc2ccccc2NC(=O)c2cccc(c2)[N+]([O-])=O)cc1C(O)=O
Show InChI InChI=1S/C21H14N2O8/c24-19(12-4-3-5-13(10-12)23(29)30)22-17-6-1-2-7-18(17)31-14-8-9-15(20(25)26)16(11-14)21(27)28/h1-11H,(H,22,24)(H,25,26)(H,27,28)
PDB
MMDB

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UniProtKB/SwissProt

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GoogleScholar
CHEMBL
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PC cid
PC sid
PDB
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Similars

DrugBank
PDB
Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of Rabbit muscle glycogen phosphorylase B.


J Med Chem 47: 3537-45 (2004)


Article DOI: 10.1021/jm031121n
BindingDB Entry DOI: 10.7270/Q2HM5977
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50149303
PNG
(4-[2-(3-Nitro-benzoylamino)-phenoxy]-phthalic acid...)
Show SMILES OC(=O)c1ccc(Oc2ccccc2NC(=O)c2cccc(c2)[N+]([O-])=O)cc1C(O)=O
Show InChI InChI=1S/C21H14N2O8/c24-19(12-4-3-5-13(10-12)23(29)30)22-17-6-1-2-7-18(17)31-14-8-9-15(20(25)26)16(11-14)21(27)28/h1-11H,(H,22,24)(H,25,26)(H,27,28)
PDB
MMDB

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B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of pig liver Glycogen phosphorylase A.


J Med Chem 47: 3537-45 (2004)


Article DOI: 10.1021/jm031121n
BindingDB Entry DOI: 10.7270/Q2HM5977
More data for this
Ligand-Target Pair