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BDBM42072 (E)-N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-prop-2-enamide::(E)-N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylprop-2-enamide::(E)-N-(5-methyl-3-isoxazolyl)-3-thiophen-2-yl-2-propenamide::(E)-N-(5-methylisoxazol-3-yl)-3-(2-thienyl)acrylamide::MLS-0111920.0001::cid_845123

SMILES: Cc1cc(NC(=O)\C=C\c2cccs2)no1

InChI Key: InChIKey=SDVGJCDEGVELKR-SNAWJCMRSA-N

Data: 2 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 2 hits for monomerid = 42072   
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
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM42072
PNG
((E)-N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-p...)
Show SMILES Cc1cc(NC(=O)\C=C\c2cccs2)no1
Show InChI InChI=1S/C11H10N2O2S/c1-8-7-10(13-15-8)12-11(14)5-4-9-3-2-6-16-9/h2-7H,1H3,(H,12,13,14)/b5-4+
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>1.00E+5n/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 (2009)


BindingDB Entry DOI: 10.7270/Q2474894
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens (Human))
BDBM42072
PNG
((E)-N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-p...)
Show SMILES Cc1cc(NC(=O)\C=C\c2cccs2)no1
Show InChI InChI=1S/C11H10N2O2S/c1-8-7-10(13-15-8)12-11(14)5-4-9-3-2-6-16-9/h2-7H,1H3,(H,12,13,14)/b5-4+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 6.26E+4n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair