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BDBM46210 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-sulfamoylphenyl)-1-piperazinecarbothioamide::4-(1,3-benzodioxol-5-ylmethyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide::4-piperonyl-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide::MLS-0271926.0001::cid_1213466

SMILES: NS(=O)(=O)c1ccc(NC(=S)N2CCN(Cc3ccc4OCOc4c3)CC2)cc1

InChI Key: InChIKey=AEKDHPBYUMXAPF-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 46210   
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 protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46210
PNG
(4-(1,3-benzodioxol-5-ylmethyl)-N-(4-sulfamoylpheny...)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N2CCN(Cc3ccc4OCOc4c3)CC2)cc1
Show InChI InChI=1S/C19H22N4O4S2/c20-29(24,25)16-4-2-15(3-5-16)21-19(28)23-9-7-22(8-10-23)12-14-1-6-17-18(11-14)27-13-26-17/h1-6,11H,7-10,12-13H2,(H,21,28)(H2,20,24,25)
PDB

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UniProtKB/SwissProt

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UniChem
PCBioAssay
n/an/a 8.46E+3n/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 (2009)

More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM46210
PNG
(4-(1,3-benzodioxol-5-ylmethyl)-N-(4-sulfamoylpheny...)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N2CCN(Cc3ccc4OCOc4c3)CC2)cc1
Show InChI InChI=1S/C19H22N4O4S2/c20-29(24,25)16-4-2-15(3-5-16)21-19(28)23-9-7-22(8-10-23)12-14-1-6-17-18(11-14)27-13-26-17/h1-6,11H,7-10,12-13H2,(H,21,28)(H2,20,24,25)
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n/an/a>9.90E+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 (2009)

More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46210
PNG
(4-(1,3-benzodioxol-5-ylmethyl)-N-(4-sulfamoylpheny...)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N2CCN(Cc3ccc4OCOc4c3)CC2)cc1
Show InChI InChI=1S/C19H22N4O4S2/c20-29(24,25)16-4-2-15(3-5-16)21-19(28)23-9-7-22(8-10-23)12-14-1-6-17-18(11-14)27-13-26-17/h1-6,11H,7-10,12-13H2,(H,21,28)(H2,20,24,25)
PDB

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PC cid
PC sid
UniChem
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n/an/a 1.00E+5n/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)

More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46210
PNG
(4-(1,3-benzodioxol-5-ylmethyl)-N-(4-sulfamoylpheny...)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N2CCN(Cc3ccc4OCOc4c3)CC2)cc1
Show InChI InChI=1S/C19H22N4O4S2/c20-29(24,25)16-4-2-15(3-5-16)21-19(28)23-9-7-22(8-10-23)12-14-1-6-17-18(11-14)27-13-26-17/h1-6,11H,7-10,12-13H2,(H,21,28)(H2,20,24,25)
PDB

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n/an/a 196n/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 (2009)

More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM46210
PNG
(4-(1,3-benzodioxol-5-ylmethyl)-N-(4-sulfamoylpheny...)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N2CCN(Cc3ccc4OCOc4c3)CC2)cc1
Show InChI InChI=1S/C19H22N4O4S2/c20-29(24,25)16-4-2-15(3-5-16)21-19(28)23-9-7-22(8-10-23)12-14-1-6-17-18(11-14)27-13-26-17/h1-6,11H,7-10,12-13H2,(H,21,28)(H2,20,24,25)
PDB
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PC sid
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM46210
PNG
(4-(1,3-benzodioxol-5-ylmethyl)-N-(4-sulfamoylpheny...)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)N2CCN(Cc3ccc4OCOc4c3)CC2)cc1
Show InChI InChI=1S/C19H22N4O4S2/c20-29(24,25)16-4-2-15(3-5-16)21-19(28)23-9-7-22(8-10-23)12-14-1-6-17-18(11-14)27-13-26-17/h1-6,11H,7-10,12-13H2,(H,21,28)(H2,20,24,25)
PDB
MMDB

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UniChem
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n/an/a 5.41E+3n/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 (2009)

More data for this
Ligand-Target Pair