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BDBM37440 MLS000065807::N-(1,2-oxazol-3-yl)-2-thiophen-2-yl-ethanamide::N-(1,2-oxazol-3-yl)-2-thiophen-2-ylacetamide::N-(3-isoxazolyl)-2-thiophen-2-ylacetamide::N-3-isoxazolyl-2-(2-thienyl)acetamide::N-isoxazol-3-yl-2-(2-thienyl)acetamide::SMR000080496::cid_1246102

SMILES: O=C(Cc1cccs1)Nc1ccon1

InChI Key: InChIKey=YNDSYYONYZAFMS-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 = 37440   
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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM37440
PNG
(MLS000065807 | N-(1,2-oxazol-3-yl)-2-thiophen-2-yl...)
Show SMILES O=C(Cc1cccs1)Nc1ccon1
Show InChI InChI=1S/C9H8N2O2S/c12-9(6-7-2-1-5-14-7)10-8-3-4-13-11-8/h1-5H,6H2,(H,10,11,12)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>4.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM37440
PNG
(MLS000065807 | N-(1,2-oxazol-3-yl)-2-thiophen-2-yl...)
Show SMILES O=C(Cc1cccs1)Nc1ccon1
Show InChI InChI=1S/C9H8N2O2S/c12-9(6-7-2-1-5-14-7)10-8-3-4-13-11-8/h1-5H,6H2,(H,10,11,12)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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))
BDBM37440
PNG
(MLS000065807 | N-(1,2-oxazol-3-yl)-2-thiophen-2-yl...)
Show SMILES O=C(Cc1cccs1)Nc1ccon1
Show InChI InChI=1S/C9H8N2O2S/c12-9(6-7-2-1-5-14-7)10-8-3-4-13-11-8/h1-5H,6H2,(H,10,11,12)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.74E+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