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BDBM68151 4-amino-2-[(E)-3-(3-fluorophenyl)-1-oxoprop-2-enyl]isoindole-1,3-dione::4-amino-2-[(E)-3-(3-fluorophenyl)acryloyl]isoindoline-1,3-quinone::4-amino-2-[(E)-3-(3-fluorophenyl)prop-2-enoyl]isoindole-1,3-dione::4-azanyl-2-[(E)-3-(3-fluorophenyl)prop-2-enoyl]isoindole-1,3-dione::MLS000516706::SMR000342857::cid_5990949

SMILES: Nc1cccc2C(=O)N(C(=O)\C=C\c3cccc(F)c3)C(=O)c12

InChI Key: InChIKey=MVRDLZWEDOVUGH-BQYQJAHWSA-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 = 68151   
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)
BDBM68151
PNG
(4-amino-2-[(E)-3-(3-fluorophenyl)-1-oxoprop-2-enyl...)
Show SMILES Nc1cccc2C(=O)N(C(=O)\C=C\c3cccc(F)c3)C(=O)c12
Show InChI InChI=1S/C17H11FN2O3/c18-11-4-1-3-10(9-11)7-8-14(21)20-16(22)12-5-2-6-13(19)15(12)17(20)23/h1-9H,19H2/b8-7+
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a<160n/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
XBP1


(Homo sapiens (Human))
BDBM68151
PNG
(4-amino-2-[(E)-3-(3-fluorophenyl)-1-oxoprop-2-enyl...)
Show SMILES Nc1cccc2C(=O)N(C(=O)\C=C\c3cccc(F)c3)C(=O)c12
Show InChI InChI=1S/C17H11FN2O3/c18-11-4-1-3-10(9-11)7-8-14(21)20-16(22)12-5-2-6-13(19)15(12)17(20)23/h1-9H,19H2/b8-7+
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.73E+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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM68151
PNG
(4-amino-2-[(E)-3-(3-fluorophenyl)-1-oxoprop-2-enyl...)
Show SMILES Nc1cccc2C(=O)N(C(=O)\C=C\c3cccc(F)c3)C(=O)c12
Show InChI InChI=1S/C17H11FN2O3/c18-11-4-1-3-10(9-11)7-8-14(21)20-16(22)12-5-2-6-13(19)15(12)17(20)23/h1-9H,19H2/b8-7+
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a<160n/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