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BDBM35358 1-[1-(4-Methoxy-benzenesulfonyl)-piperidin-4-yl]-3-p-tolyl-urea::1-[1-(4-methoxyphenyl)sulfonyl-4-piperidinyl]-3-(4-methylphenyl)urea::1-[1-(4-methoxyphenyl)sulfonyl-4-piperidyl]-3-(p-tolyl)urea::1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(4-methylphenyl)urea::MLS000073588::SMR000006788::cid_650341

SMILES: COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(C)cc1

InChI Key: InChIKey=CBGQJPNBESKLTF-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 35358   
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
Dual Specificity Protein Phosphatase 1


(Homo sapiens (Human))
BDBM35358
PNG
(1-[1-(4-Methoxy-benzenesulfonyl)-piperidin-4-yl]-3...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C20H25N3O4S/c1-15-3-5-16(6-4-15)21-20(24)22-17-11-13-23(14-12-17)28(25,26)19-9-7-18(27-2)8-10-19/h3-10,17H,11-14H2,1-2H3,(H2,21,22,24)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM35358
PNG
(1-[1-(4-Methoxy-benzenesulfonyl)-piperidin-4-yl]-3...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C20H25N3O4S/c1-15-3-5-16(6-4-15)21-20(24)22-17-11-13-23(14-12-17)28(25,26)19-9-7-18(27-2)8-10-19/h3-10,17H,11-14H2,1-2H3,(H2,21,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-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)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM35358
PNG
(1-[1-(4-Methoxy-benzenesulfonyl)-piperidin-4-yl]-3...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C20H25N3O4S/c1-15-3-5-16(6-4-15)21-20(24)22-17-11-13-23(14-12-17)28(25,26)19-9-7-18(27-2)8-10-19/h3-10,17H,11-14H2,1-2H3,(H2,21,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair