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BDBM50135563 4-{2-[(4-Cyano-pyridine-2-carbonyl)-amino]-phenoxy}-phthalic acid::CHEMBL132201

SMILES: OC(=O)c1ccc(Oc2ccccc2NC(=O)c2cc(ccn2)C#N)cc1C(O)=O

InChI Key: InChIKey=KWAQGJBZAIHRQW-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 50135563   
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, liver form


(Homo sapiens (Human))
BDBM50135563
PNG
(4-{2-[(4-Cyano-pyridine-2-carbonyl)-amino]-phenoxy...)
Show SMILES OC(=O)c1ccc(Oc2ccccc2NC(=O)c2cc(ccn2)C#N)cc1C(O)=O
Show InChI InChI=1S/C21H13N3O6/c22-11-12-7-8-23-17(9-12)19(25)24-16-3-1-2-4-18(16)30-13-5-6-14(20(26)27)15(10-13)21(28)29/h1-10H,(H,24,25)(H,26,27)(H,28,29)
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PC sid
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PubMed
n/an/a 16n/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
Glycogen phosphorylase, muscle form


(Homo sapiens (Human))
BDBM50135563
PNG
(4-{2-[(4-Cyano-pyridine-2-carbonyl)-amino]-phenoxy...)
Show SMILES OC(=O)c1ccc(Oc2ccccc2NC(=O)c2cc(ccn2)C#N)cc1C(O)=O
Show InChI InChI=1S/C21H13N3O6/c22-11-12-7-8-23-17(9-12)19(25)24-16-3-1-2-4-18(16)30-13-5-6-14(20(26)27)15(10-13)21(28)29/h1-10H,(H,24,25)(H,26,27)(H,28,29)
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PC sid
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PubMed
n/an/a 167n/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
Glycogen phosphorylase, liver form


(Rattus norvegicus)
BDBM50135563
PNG
(4-{2-[(4-Cyano-pyridine-2-carbonyl)-amino]-phenoxy...)
Show SMILES OC(=O)c1ccc(Oc2ccccc2NC(=O)c2cc(ccn2)C#N)cc1C(O)=O
Show InChI InChI=1S/C21H13N3O6/c22-11-12-7-8-23-17(9-12)19(25)24-16-3-1-2-4-18(16)30-13-5-6-14(20(26)27)15(10-13)21(28)29/h1-10H,(H,24,25)(H,26,27)(H,28,29)
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n/an/a 19n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver glycogen phosphorylase


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


BindingDB Entry DOI: 10.7270/Q26M367F
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Mus musculus)
BDBM50135563
PNG
(4-{2-[(4-Cyano-pyridine-2-carbonyl)-amino]-phenoxy...)
Show SMILES OC(=O)c1ccc(Oc2ccccc2NC(=O)c2cc(ccn2)C#N)cc1C(O)=O
Show InChI InChI=1S/C21H13N3O6/c22-11-12-7-8-23-17(9-12)19(25)24-16-3-1-2-4-18(16)30-13-5-6-14(20(26)27)15(10-13)21(28)29/h1-10H,(H,24,25)(H,26,27)(H,28,29)
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

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PC sid
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PubMed
n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse liver glycogen phosphorylase


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


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