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BDBM67819 2-methyl-2-propenoic acid [7-methyl-3-oxo-2-(trifluoromethyl)-4H-1,4-benzoxazin-2-yl] ester::2-methylacrylic acid [3-keto-7-methyl-2-(trifluoromethyl)-4H-1,4-benzoxazin-2-yl] ester::MLS000519645::SMR000130063::[7-methyl-3-oxidanylidene-2-(trifluoromethyl)-4H-1,4-benzoxazin-2-yl] 2-methylprop-2-enoate::[7-methyl-3-oxo-2-(trifluoromethyl)-4H-1,4-benzoxazin-2-yl] 2-methylprop-2-enoate::cid_4030924

SMILES: CC(=C)C(=O)OC1(Oc2cc(C)ccc2NC1=O)C(F)(F)F

InChI Key: InChIKey=PSEOZXIJUNTMJP-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 = 67819   
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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM67819
PNG
(2-methyl-2-propenoic acid [7-methyl-3-oxo-2-(trifl...)
Show SMILES CC(=C)C(=O)OC1(Oc2cc(C)ccc2NC1=O)C(F)(F)F
Show InChI InChI=1S/C14H12F3NO4/c1-7(2)11(19)22-13(14(15,16)17)12(20)18-9-5-4-8(3)6-10(9)21-13/h4-6H,1H2,2-3H3,(H,18,20)
KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


Article DOI: 10.1021/bi400740x
BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM67819
PNG
(2-methyl-2-propenoic acid [7-methyl-3-oxo-2-(trifl...)
Show SMILES CC(=C)C(=O)OC1(Oc2cc(C)ccc2NC1=O)C(F)(F)F
Show InChI InChI=1S/C14H12F3NO4/c1-7(2)11(19)22-13(14(15,16)17)12(20)18-9-5-4-8(3)6-10(9)21-13/h4-6H,1H2,2-3H3,(H,18,20)
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
XBP1


(Homo sapiens (Human))
BDBM67819
PNG
(2-methyl-2-propenoic acid [7-methyl-3-oxo-2-(trifl...)
Show SMILES CC(=C)C(=O)OC1(Oc2cc(C)ccc2NC1=O)C(F)(F)F
Show InChI InChI=1S/C14H12F3NO4/c1-7(2)11(19)22-13(14(15,16)17)12(20)18-9-5-4-8(3)6-10(9)21-13/h4-6H,1H2,2-3H3,(H,18,20)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.86E+3n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair