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PDB code 2ATI

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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 (PYGL)

  (846/846 = 100%)
(Homo sapiens (human))
BDBM50174389
PNG
(1-(2-Chloro-4-fluoro-benzoyl)-3-(5-hydroxy-2-metho...)
Show SMILES COc1ccc(O)cc1NC(=O)NC(=O)c1ccc(F)cc1Cl
Show InChI InChI=1S/C15H12ClFN2O4/c1-23-13-5-3-9(20)7-12(13)18-15(22)19-14(21)10-4-2-8(17)6-11(10)16/h2-7,20H,1H3,(H2,18,19,21,22)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
n/an/a 22.9n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Logarithmic inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate and incubated for 40 mi...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen Phosphorylase (PYGL)

  (846/846 = 100%)
(Homo sapiens (human))
BDBM50174389
PNG
(1-(2-Chloro-4-fluoro-benzoyl)-3-(5-hydroxy-2-metho...)
Show SMILES COc1ccc(O)cc1NC(=O)NC(=O)c1ccc(F)cc1Cl
Show InChI InChI=1S/C15H12ClFN2O4/c1-23-13-5-3-9(20)7-12(13)18-15(22)19-14(21)10-4-2-8(17)6-11(10)16/h2-7,20H,1H3,(H2,18,19,21,22)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
MMDB
PDB
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate upon incubating for 40 min at 25 de...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output