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SMILES: Clc1ccc(NC(=O)c2ccc(OC3CSC3)cc2)cc1

InChI Key: InChIKey=GMAUHGNPQQAGCY-UHFFFAOYSA-N

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 = 74524   
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))
BDBM74524
PNG
(MLS000718007 | N-(4-chlorophenyl)-4-(3-thietanylox...)
Show SMILES Clc1ccc(NC(=O)c2ccc(OC3CSC3)cc2)cc1
Show InChI InChI=1S/C16H14ClNO2S/c17-12-3-5-13(6-4-12)18-16(19)11-1-7-14(8-2-11)20-15-9-21-10-15/h1-8,15H,9-10H2,(H,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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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/Q24748BK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM74524
PNG
(MLS000718007 | N-(4-chlorophenyl)-4-(3-thietanylox...)
Show SMILES Clc1ccc(NC(=O)c2ccc(OC3CSC3)cc2)cc1
Show InChI InChI=1S/C16H14ClNO2S/c17-12-3-5-13(6-4-12)18-16(19)11-1-7-14(8-2-11)20-15-9-21-10-15/h1-8,15H,9-10H2,(H,18,19)
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
Tyrosine-protein phosphatase non-receptor type 7


(Homo sapiens (Human))
BDBM74524
PNG
(MLS000718007 | N-(4-chlorophenyl)-4-(3-thietanylox...)
Show SMILES Clc1ccc(NC(=O)c2ccc(OC3CSC3)cc2)cc1
Show InChI InChI=1S/C16H14ClNO2S/c17-12-3-5-13(6-4-12)18-16(19)11-1-7-14(8-2-11)20-15-9-21-10-15/h1-8,15H,9-10H2,(H,18,19)
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