BindingDB logo
myBDB logout

BDBM88754 MLS000401595::N-[3-[(2-methoxyphenyl)sulfamoyl]-4-(1-pyrrolidinyl)phenyl]-3-methyl-2-thiophenecarboxamide::N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-yl-phenyl]-3-methyl-thiophene-2-carboxamide::N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-methylthiophene-2-carboxamide::N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidino-phenyl]-3-methyl-thiophene-2-carboxamide::SMR000243527::cid_3457783

SMILES: COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2sccc2C)ccc1N1CCCC1

InChI Key: InChIKey=QNGWMWHECGNBSS-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 88754   
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 5 isoform a


(Homo sapiens (Human))
BDBM88754
PNG
(MLS000401595 | N-[3-[(2-methoxyphenyl)sulfamoyl]-4...)
Show SMILES COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2sccc2C)ccc1N1CCCC1
Show InChI InChI=1S/C23H25N3O4S2/c1-16-11-14-31-22(16)23(27)24-17-9-10-19(26-12-5-6-13-26)21(15-17)32(28,29)25-18-7-3-4-8-20(18)30-2/h3-4,7-11,14-15,25H,5-6,12-13H2,1-2H3,(H,24,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.73E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM88754
PNG
(MLS000401595 | N-[3-[(2-methoxyphenyl)sulfamoyl]-4...)
Show SMILES COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2sccc2C)ccc1N1CCCC1
Show InChI InChI=1S/C23H25N3O4S2/c1-16-11-14-31-22(16)23(27)24-17-9-10-19(26-12-5-6-13-26)21(15-17)32(28,29)25-18-7-3-4-8-20(18)30-2/h3-4,7-11,14-15,25H,5-6,12-13H2,1-2H3,(H,24,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 163n/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 (2012)


BindingDB Entry DOI: 10.7270/Q2959G44
More data for this
Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM88754
PNG
(MLS000401595 | N-[3-[(2-methoxyphenyl)sulfamoyl]-4...)
Show SMILES COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2sccc2C)ccc1N1CCCC1
Show InChI InChI=1S/C23H25N3O4S2/c1-16-11-14-31-22(16)23(27)24-17-9-10-19(26-12-5-6-13-26)21(15-17)32(28,29)25-18-7-3-4-8-20(18)30-2/h3-4,7-11,14-15,25H,5-6,12-13H2,1-2H3,(H,24,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.59E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2FQ9V6B
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM88754
PNG
(MLS000401595 | N-[3-[(2-methoxyphenyl)sulfamoyl]-4...)
Show SMILES COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2sccc2C)ccc1N1CCCC1
Show InChI InChI=1S/C23H25N3O4S2/c1-16-11-14-31-22(16)23(27)24-17-9-10-19(26-12-5-6-13-26)21(15-17)32(28,29)25-18-7-3-4-8-20(18)30-2/h3-4,7-11,14-15,25H,5-6,12-13H2,1-2H3,(H,24,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.95E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2KH0KWR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM88754
PNG
(MLS000401595 | N-[3-[(2-methoxyphenyl)sulfamoyl]-4...)
Show SMILES COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2sccc2C)ccc1N1CCCC1
Show InChI InChI=1S/C23H25N3O4S2/c1-16-11-14-31-22(16)23(27)24-17-9-10-19(26-12-5-6-13-26)21(15-17)32(28,29)25-18-7-3-4-8-20(18)30-2/h3-4,7-11,14-15,25H,5-6,12-13H2,1-2H3,(H,24,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 665n/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 (2012)


BindingDB Entry DOI: 10.7270/Q2T43RPN
More data for this
Ligand-Target Pair