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BDBM42071 MLS-0111919.0001::N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-ethanamide::N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide::N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-2-(2-thienyl)acetamide::cid_976017

SMILES: CCC(CC)c1nnc(NC(=O)Cc2cccs2)s1

InChI Key: InChIKey=MGNLRFMKYVMKJF-UHFFFAOYSA-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 = 42071   
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))
BDBM42071
PNG
(MLS-0111919.0001 | N-(5-pentan-3-yl-1,3,4-thiadiaz...)
Show SMILES CCC(CC)c1nnc(NC(=O)Cc2cccs2)s1
Show InChI InChI=1S/C13H17N3OS2/c1-3-9(4-2)12-15-16-13(19-12)14-11(17)8-10-6-5-7-18-10/h5-7,9H,3-4,8H2,1-2H3,(H,14,16,17)
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))
BDBM42071
PNG
(MLS-0111919.0001 | N-(5-pentan-3-yl-1,3,4-thiadiaz...)
Show SMILES CCC(CC)c1nnc(NC(=O)Cc2cccs2)s1
Show InChI InChI=1S/C13H17N3OS2/c1-3-9(4-2)12-15-16-13(19-12)14-11(17)8-10-6-5-7-18-10/h5-7,9H,3-4,8H2,1-2H3,(H,14,16,17)
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 9.97E+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