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BDBM89825 2-(4-Fluoro-phenyl)-chromen-4-one::2-(4-fluorophenyl)-1-benzopyran-4-one::2-(4-fluorophenyl)chromen-4-one::2-(4-fluorophenyl)chromone::MLS000526645::SMR000117119::cid_261391

SMILES: Fc1ccc(cc1)-c1cc(=O)c2ccccc2o1

InChI Key: InChIKey=ZHXIMGYEMBZGOI-UHFFFAOYSA-N

Data: 5 IC50  1 EC50

PDB links: 2 PDB IDs match 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 6 hits for monomerid = 89825   
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
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM89825
PNG
(2-(4-Fluoro-phenyl)-chromen-4-one | 2-(4-fluorophe...)
Show SMILES Fc1ccc(cc1)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H9FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H
KEGG

UniProtKB/SwissProt

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PCBioAssay
n/an/an/an/a>5.30E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2VX0F3D
More data for this
Ligand-Target Pair
SKiNhead family member (skn-1)


(Caenorhabditis elegans)
BDBM89825
PNG
(2-(4-Fluoro-phenyl)-chromen-4-one | 2-(4-fluorophe...)
Show SMILES Fc1ccc(cc1)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H9FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PDB
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PCBioAssay
n/an/a 1.92E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM89825
PNG
(2-(4-Fluoro-phenyl)-chromen-4-one | 2-(4-fluorophe...)
Show SMILES Fc1ccc(cc1)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H9FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H
PDB

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Article
PubMed
n/an/a 280n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human 6XHis-tagged TNKS1 SAM-ART domain (1030 to 1317 amino acid residues) by fluorescence assay


J Med Chem 56: 3507-17 (2013)


Article DOI: 10.1021/jm3018783
BindingDB Entry DOI: 10.7270/Q24M95W6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM89825
PNG
(2-(4-Fluoro-phenyl)-chromen-4-one | 2-(4-fluorophe...)
Show SMILES Fc1ccc(cc1)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H9FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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Article
PubMed
n/an/a 9.90E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ARTD1 by fluorescence assay


J Med Chem 56: 3507-17 (2013)


Article DOI: 10.1021/jm3018783
BindingDB Entry DOI: 10.7270/Q24M95W6
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM89825
PNG
(2-(4-Fluoro-phenyl)-chromen-4-one | 2-(4-fluorophe...)
Show SMILES Fc1ccc(cc1)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H9FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H
PDB

UniProtKB/SwissProt

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Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human 6XHis-tagged TNKS2 ART domain (946 to 1161 amino acid residues) expressed in Escherichia coli Rosetta2 (DE3) by fluorescence assa...


J Med Chem 56: 3507-17 (2013)


Article DOI: 10.1021/jm3018783
BindingDB Entry DOI: 10.7270/Q24M95W6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein HSP-16.2


(Caenorhabditis elegans)
BDBM89825
PNG
(2-(4-Fluoro-phenyl)-chromen-4-one | 2-(4-fluorophe...)
Show SMILES Fc1ccc(cc1)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H9FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H
KEGG

UniProtKB/SwissProt

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PC sid
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PCBioAssay
n/an/a>6.40E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q21J98BN
More data for this
Ligand-Target Pair