BDBM74445 2-[2-(4-chloroanilino)-2-keto-ethyl]sulfinyl-N-(isochroman-1-ylmethyl)acetamide::2-[2-(4-chloroanilino)-2-oxoethyl]sulfinyl-N-(3,4-dihydro-1H-2-benzopyran-1-ylmethyl)acetamide::2-[2-(4-chloroanilino)-2-oxoethyl]sulfinyl-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)acetamide::2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfinyl-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)ethanamide::MLS000033071::N-(4-Chloro-phenyl)-2-{[(isochroman-1-ylmethyl)-carbamoyl]-methanesulfinyl}-acetamide::SMR000006648::cid_648769

SMILES Clc1ccc(NC(=O)CS(=O)CC(=O)NCC2OCCc3ccccc23)cc1

InChI Key InChIKey=QVTDHYIEVLGFTQ-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 74445   

TargetTyrosine-protein phosphatase non-receptor type 22(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM74445(2-[2-(4-chloroanilino)-2-keto-ethyl]sulfinyl-N-(is...)
Affinity DataIC50: >7.94E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 22(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM74445(2-[2-(4-chloroanilino)-2-keto-ethyl]sulfinyl-N-(is...)
Affinity DataIC50: >7.94E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 7(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM74445(2-[2-(4-chloroanilino)-2-keto-ethyl]sulfinyl-N-(is...)
Affinity DataIC50: >7.94E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay