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BDBM74456 5-methyl-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]thiophene-3-carboxamide::5-methyl-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-3-thiophenecarboxamide::5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-3-carboxamide::MLS000065817::N-[3-(2-ketopyrrolidino)propyl]-5-methyl-thiophene-3-carboxamide::SMR000080506::cid_2225281

SMILES: Cc1cc(cs1)C(=O)NCCCN1CCCC1=O

InChI Key: InChIKey=YCDHJPQUZUOSSX-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 = 74456   
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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM74456
PNG
(5-methyl-N-[3-(2-oxidanylidenepyrrolidin-1-yl)prop...)
Show SMILES Cc1cc(cs1)C(=O)NCCCN1CCCC1=O
Show InChI InChI=1S/C13H18N2O2S/c1-10-8-11(9-18-10)13(17)14-5-3-7-15-6-2-4-12(15)16/h8-9H,2-7H2,1H3,(H,14,17)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a>7.94E+4n/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, ...


PubChem Bioassay (2010)


Article DOI: 10.1038/nchembio.1629
BindingDB Entry DOI: 10.7270/Q24748BK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM74456
PNG
(5-methyl-N-[3-(2-oxidanylidenepyrrolidin-1-yl)prop...)
Show SMILES Cc1cc(cs1)C(=O)NCCCN1CCCC1=O
Show InChI InChI=1S/C13H18N2O2S/c1-10-8-11(9-18-10)13(17)14-5-3-7-15-6-2-4-12(15)16/h8-9H,2-7H2,1H3,(H,14,17)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>7.94E+4n/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, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RTC
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM74456
PNG
(5-methyl-N-[3-(2-oxidanylidenepyrrolidin-1-yl)prop...)
Show SMILES Cc1cc(cs1)C(=O)NCCCN1CCCC1=O
Show InChI InChI=1S/C13H18N2O2S/c1-10-8-11(9-18-10)13(17)14-5-3-7-15-6-2-4-12(15)16/h8-9H,2-7H2,1H3,(H,14,17)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>7.94E+4n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2VQ314Z
More data for this
Ligand-Target Pair