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BDBM74455 MLS000046764::N-[3-(2-ethyl-1-piperidinyl)propyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]-2-furancarboxamide::N-[3-(2-ethylpiperidin-1-yl)propyl]-5-[(2-fluorophenyl)methylsulfonylmethyl]furan-2-carboxamide::N-[3-(2-ethylpiperidin-1-yl)propyl]-5-{[(2-fluorobenzyl)sulfonyl]methyl}-2-furamide::N-[3-(2-ethylpiperidino)propyl]-5-[(2-fluorobenzyl)sulfonylmethyl]-2-furamide::SMR000032775::cid_3240388

SMILES: CCC1CCCCN1CCCNC(=O)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1

InChI Key: InChIKey=OGZQVUMVHVCECN-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 = 74455   
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 cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM74455
PNG
(MLS000046764 | N-[3-(2-ethyl-1-piperidinyl)propyl]...)
Show SMILES CCC1CCCCN1CCCNC(=O)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1
Show InChI InChI=1S/C23H31FN2O4S/c1-2-19-9-5-6-14-26(19)15-7-13-25-23(27)22-12-11-20(30-22)17-31(28,29)16-18-8-3-4-10-21(18)24/h3-4,8,10-12,19H,2,5-7,9,13-17H2,1H3,(H,25,27)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars

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/Q24748BK
More data for this
Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM74455
PNG
(MLS000046764 | N-[3-(2-ethyl-1-piperidinyl)propyl]...)
Show SMILES CCC1CCCCN1CCCNC(=O)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1
Show InChI InChI=1S/C23H31FN2O4S/c1-2-19-9-5-6-14-26(19)15-7-13-25-23(27)22-12-11-20(30-22)17-31(28,29)16-18-8-3-4-10-21(18)24/h3-4,8,10-12,19H,2,5-7,9,13-17H2,1H3,(H,25,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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))
BDBM74455
PNG
(MLS000046764 | N-[3-(2-ethyl-1-piperidinyl)propyl]...)
Show SMILES CCC1CCCCN1CCCNC(=O)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1
Show InChI InChI=1S/C23H31FN2O4S/c1-2-19-9-5-6-14-26(19)15-7-13-25-23(27)22-12-11-20(30-22)17-31(28,29)16-18-8-3-4-10-21(18)24/h3-4,8,10-12,19H,2,5-7,9,13-17H2,1H3,(H,25,27)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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