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BDBM68034 (E)-N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-(2-thienyl)acrylamide::(E)-N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-thiophen-2-yl-2-propenamide::(E)-N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-thiophen-2-yl-prop-2-enamide::(E)-N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-thiophen-2-ylprop-2-enamide::MLS000723268::SMR000236604::cid_7125404

SMILES: COCCn1c2ccc(NC(C)=O)cc2s\c1=N/C(=O)/C=C/c1cccs1

InChI Key: InChIKey=VSVFIVJFLZPKAI-QJGFGJJLSA-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 = 68034   
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)
BDBM68034
PNG
((E)-N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothi...)
Show SMILES COCCn1c2ccc(NC(C)=O)cc2s\c1=N/C(=O)/C=C/c1cccs1
Show InChI InChI=1S/C19H19N3O3S2/c1-13(23)20-14-5-7-16-17(12-14)27-19(22(16)9-10-25-2)21-18(24)8-6-15-4-3-11-26-15/h3-8,11-12H,9-10H2,1-2H3,(H,20,23)/b8-6+,21-19-
KEGG

UniProtKB/SwissProt

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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 Molecular Libraries Screening Center

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)
BDBM68034
PNG
((E)-N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothi...)
Show SMILES COCCn1c2ccc(NC(C)=O)cc2s\c1=N/C(=O)/C=C/c1cccs1
Show InChI InChI=1S/C19H19N3O3S2/c1-13(23)20-14-5-7-16-17(12-14)27-19(22(16)9-10-25-2)21-18(24)8-6-15-4-3-11-26-15/h3-8,11-12H,9-10H2,1-2H3,(H,20,23)/b8-6+,21-19-
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 Molecular Libraries Screening Center

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))
BDBM68034
PNG
((E)-N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothi...)
Show SMILES COCCn1c2ccc(NC(C)=O)cc2s\c1=N/C(=O)/C=C/c1cccs1
Show InChI InChI=1S/C19H19N3O3S2/c1-13(23)20-14-5-7-16-17(12-14)27-19(22(16)9-10-25-2)21-18(24)8-6-15-4-3-11-26-15/h3-8,11-12H,9-10H2,1-2H3,(H,20,23)/b8-6+,21-19-
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 430n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

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