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BDBM50297589 2-chloro-3-(4-fluorophenethylamino)naphthalene-1,4-dione::CHEMBL558268

SMILES: Oc1c(Cl)c(N=CCc2ccc(F)cc2)c(O)c2ccccc12

InChI Key: InChIKey=TUEIWGYABXBABK-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50297589   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50297589
PNG
(2-chloro-3-(4-fluorophenethylamino)naphthalene-1,4...)
Show SMILES Oc1c(Cl)c(N=CCc2ccc(F)cc2)c(O)c2ccccc12
Show InChI InChI=1S/C18H13ClFNO2/c19-15-16(21-10-9-11-5-7-12(20)8-6-11)18(23)14-4-2-1-3-13(14)17(15)22/h1-8,10,22-23H,9H2
MMDB

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CHEMBL
PC cid
PC sid
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Similars

Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of Cdc25A


Bioorg Med Chem Lett 19: 4372-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.078
BindingDB Entry DOI: 10.7270/Q2D79BGK
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50297589
PNG
(2-chloro-3-(4-fluorophenethylamino)naphthalene-1,4...)
Show SMILES Oc1c(Cl)c(N=CCc2ccc(F)cc2)c(O)c2ccccc12
Show InChI InChI=1S/C18H13ClFNO2/c19-15-16(21-10-9-11-5-7-12(20)8-6-11)18(23)14-4-2-1-3-13(14)17(15)22/h1-8,10,22-23H,9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.50E+3n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of GST-fused Cdc25B


Bioorg Med Chem Lett 19: 4372-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.078
BindingDB Entry DOI: 10.7270/Q2D79BGK
More data for this
Ligand-Target Pair