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BDBM74450 3-[2-(2,3,5,6-tetrafluoro-4-methylol-anilino)ethylamino]cyclohex-2-en-1-one::3-[2-[2,3,5,6-tetrafluoro-4-(hydroxymethyl)anilino]ethylamino]-1-cyclohex-2-enone::3-[2-[2,3,5,6-tetrafluoro-4-(hydroxymethyl)anilino]ethylamino]cyclohex-2-en-1-one::3-[2-[[2,3,5,6-tetrakis(fluoranyl)-4-(hydroxymethyl)phenyl]amino]ethylamino]cyclohex-2-en-1-one::MLS000039349::SMR000041400::cid_660485

SMILES: OCc1c(F)c(F)c(NCCNC2=CC(=O)CCC2)c(F)c1F

InChI Key: InChIKey=NGFGLYDPEQFTEG-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 74450   
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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM74450
PNG
(3-[2-(2,3,5,6-tetrafluoro-4-methylol-anilino)ethyl...)
Show SMILES OCc1c(F)c(F)c(NCCNC2=CC(=O)CCC2)c(F)c1F |t:12|
Show InChI InChI=1S/C15H16F4N2O2/c16-11-10(7-22)12(17)14(19)15(13(11)18)21-5-4-20-8-2-1-3-9(23)6-8/h6,20-22H,1-5,7H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a>7.94E+4n/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, ...


PubChem Bioassay (2010)


Article DOI: 10.1038/nchembio.1629
BindingDB Entry DOI: 10.7270/Q24748BK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM74450
PNG
(3-[2-(2,3,5,6-tetrafluoro-4-methylol-anilino)ethyl...)
Show SMILES OCc1c(F)c(F)c(NCCNC2=CC(=O)CCC2)c(F)c1F |t:12|
Show InChI InChI=1S/C15H16F4N2O2/c16-11-10(7-22)12(17)14(19)15(13(11)18)21-5-4-20-8-2-1-3-9(23)6-8/h6,20-22H,1-5,7H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>7.94E+4n/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, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RTC
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM74450
PNG
(3-[2-(2,3,5,6-tetrafluoro-4-methylol-anilino)ethyl...)
Show SMILES OCc1c(F)c(F)c(NCCNC2=CC(=O)CCC2)c(F)c1F |t:12|
Show InChI InChI=1S/C15H16F4N2O2/c16-11-10(7-22)12(17)14(19)15(13(11)18)21-5-4-20-8-2-1-3-9(23)6-8/h6,20-22H,1-5,7H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>7.94E+4n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2VQ314Z
More data for this
Ligand-Target Pair