BindingDB logo
myBDB logout

null

SMILES: CS(=O)(=O)N1CCc2ccc(NC(=O)C3CCCO3)cc2C1

InChI Key: InChIKey=SNWHJLHRQAHINM-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 = 74540   
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))
BDBM74540
PNG
(MLS001101264 | N-(2-mesyl-3,4-dihydro-1H-isoquinol...)
Show SMILES CS(=O)(=O)N1CCc2ccc(NC(=O)C3CCCO3)cc2C1
Show InChI InChI=1S/C15H20N2O4S/c1-22(19,20)17-7-6-11-4-5-13(9-12(11)10-17)16-15(18)14-3-2-8-21-14/h4-5,9,14H,2-3,6-8,10H2,1H3,(H,16,18)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM74540
PNG
(MLS001101264 | N-(2-mesyl-3,4-dihydro-1H-isoquinol...)
Show SMILES CS(=O)(=O)N1CCc2ccc(NC(=O)C3CCCO3)cc2C1
Show InChI InChI=1S/C15H20N2O4S/c1-22(19,20)17-7-6-11-4-5-13(9-12(11)10-17)16-15(18)14-3-2-8-21-14/h4-5,9,14H,2-3,6-8,10H2,1H3,(H,16,18)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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
Tyrosine-protein phosphatase non-receptor type 7


(Homo sapiens (Human))
BDBM74540
PNG
(MLS001101264 | N-(2-mesyl-3,4-dihydro-1H-isoquinol...)
Show SMILES CS(=O)(=O)N1CCc2ccc(NC(=O)C3CCCO3)cc2C1
Show InChI InChI=1S/C15H20N2O4S/c1-22(19,20)17-7-6-11-4-5-13(9-12(11)10-17)16-15(18)14-3-2-8-21-14/h4-5,9,14H,2-3,6-8,10H2,1H3,(H,16,18)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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