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BDBM50251709 CHEMBL4094844

SMILES: Fc1ccc2[nH]c(=O)c3c4C(=O)C=CC(=O)c4ccc3c2c1

InChI Key: InChIKey=VGGFGFHORMAQLE-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50251709   
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
Dual specificity phosphatase Cdc25C


(Homo sapiens (Human))
BDBM50251709
PNG
(CHEMBL4094844)
Show SMILES Fc1ccc2[nH]c(=O)c3c4C(=O)C=CC(=O)c4ccc3c2c1
Show InChI InChI=1S/C17H8FNO3/c18-8-1-4-12-11(7-8)9-2-3-10-13(20)5-6-14(21)15(10)16(9)17(22)19-12/h1-7H,(H,19,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 4.67E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...


Eur J Med Chem 134: 316-333 (2017)


BindingDB Entry DOI: 10.7270/Q2WD4311
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25A


(Homo sapiens (Human))
BDBM50251709
PNG
(CHEMBL4094844)
Show SMILES Fc1ccc2[nH]c(=O)c3c4C(=O)C=CC(=O)c4ccc3c2c1
Show InChI InChI=1S/C17H8FNO3/c18-8-1-4-12-11(7-8)9-2-3-10-13(20)5-6-14(21)15(10)16(9)17(22)19-12/h1-7H,(H,19,22)
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 3.37E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]-cytisine binding from high-affinity Nicotinic acetylcholine receptor in rat brain (principall...


Eur J Med Chem 134: 316-333 (2017)


BindingDB Entry DOI: 10.7270/Q2WD4311
More data for this
Ligand-Target Pair