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SMILES: FC(F)(F)c1ccc(Nc2nnnc3ccccc23)cc1

InChI Key: InChIKey=BTQQRTVTLFERGV-UHFFFAOYSA-N

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 3 hits for monomerid = 82824   
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
Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1


(Homo sapiens (Human))
BDBM82824
PNG
(1,2,3-benzotriazin-4-yl-[4-(trifluoromethyl)phenyl...)
Show SMILES FC(F)(F)c1ccc(Nc2nnnc3ccccc23)cc1
Show InChI InChI=1S/C14H9F3N4/c15-14(16,17)9-5-7-10(8-6-9)18-13-11-3-1-2-4-12(11)19-21-20-13/h1-8H,(H,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 8.61E+3n/an/an/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 (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM82824
PNG
(1,2,3-benzotriazin-4-yl-[4-(trifluoromethyl)phenyl...)
Show SMILES FC(F)(F)c1ccc(Nc2nnnc3ccccc23)cc1
Show InChI InChI=1S/C14H9F3N4/c15-14(16,17)9-5-7-10(8-6-9)18-13-11-3-1-2-4-12(11)19-21-20-13/h1-8H,(H,18,19,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>8.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM82824
PNG
(1,2,3-benzotriazin-4-yl-[4-(trifluoromethyl)phenyl...)
Show SMILES FC(F)(F)c1ccc(Nc2nnnc3ccccc23)cc1
Show InChI InChI=1S/C14H9F3N4/c15-14(16,17)9-5-7-10(8-6-9)18-13-11-3-1-2-4-12(11)19-21-20-13/h1-8H,(H,18,19,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 6.59E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair