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BDBM50174389 1-(2-Chloro-4-fluoro-benzoyl)-3-(5-hydroxy-2-methoxy-phenyl)-urea::CHEMBL198408::N-(2-CHLORO-4-FLUOROBENZOYL)-N'-(5-HYDROXY-2-METHOXYPHENYL)UREA

SMILES: COc1ccc(O)cc1NC(=O)NC(=O)c1ccc(F)cc1Cl

InChI Key: InChIKey=RFOBTYLRURSVJE-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 = 50174389   
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))
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)
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PC cid
PC sid
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Similars

MMDB
PDB
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...


J Med Chem 48: 6178-93 (2005)

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


(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
KEGG

UniProtKB/SwissProt

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

Similars

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...


J Med Chem 48: 6178-93 (2005)

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