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BDBM35354 4-N-(2-methylcyclohexyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-disulfonamide::Benzene-1,4-disulfonic acid 1-[(2-methyl-cyclohexyl)-amide] 4-[(pyridin-4-ylmethyl)-amide]::MLS000032786::N'-(2-methylcyclohexyl)-N-(4-pyridylmethyl)benzene-1,4-disulfonamide::N4-(2-methylcyclohexyl)-N1-(pyridin-4-ylmethyl)benzene-1,4-disulfonamide::SMR000007163::cid_645986

SMILES: CC1CCCCC1NS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCc1ccncc1

InChI Key: InChIKey=VPEXBQDMDLLQHD-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 35354   
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))
BDBM35354
PNG
(4-N-(2-methylcyclohexyl)-1-N-(pyridin-4-ylmethyl)b...)
Show SMILES CC1CCCCC1NS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCc1ccncc1
Show InChI InChI=1S/C19H25N3O4S2/c1-15-4-2-3-5-19(15)22-28(25,26)18-8-6-17(7-9-18)27(23,24)21-14-16-10-12-20-13-11-16/h6-13,15,19,21-22H,2-5,14H2,1H3
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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)
BDBM35354
PNG
(4-N-(2-methylcyclohexyl)-1-N-(pyridin-4-ylmethyl)b...)
Show SMILES CC1CCCCC1NS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCc1ccncc1
Show InChI InChI=1S/C19H25N3O4S2/c1-15-4-2-3-5-19(15)22-28(25,26)18-8-6-17(7-9-18)27(23,24)21-14-16-10-12-20-13-11-16/h6-13,15,19,21-22H,2-5,14H2,1H3
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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
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM35354
PNG
(4-N-(2-methylcyclohexyl)-1-N-(pyridin-4-ylmethyl)b...)
Show SMILES CC1CCCCC1NS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCc1ccncc1
Show InChI InChI=1S/C19H25N3O4S2/c1-15-4-2-3-5-19(15)22-28(25,26)18-8-6-17(7-9-18)27(23,24)21-14-16-10-12-20-13-11-16/h6-13,15,19,21-22H,2-5,14H2,1H3
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n/an/a 5.61E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2TH8K3N
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM35354
PNG
(4-N-(2-methylcyclohexyl)-1-N-(pyridin-4-ylmethyl)b...)
Show SMILES CC1CCCCC1NS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCc1ccncc1
Show InChI InChI=1S/C19H25N3O4S2/c1-15-4-2-3-5-19(15)22-28(25,26)18-8-6-17(7-9-18)27(23,24)21-14-16-10-12-20-13-11-16/h6-13,15,19,21-22H,2-5,14H2,1H3
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n/an/a 8.38E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2PR7TCX
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM35354
PNG
(4-N-(2-methylcyclohexyl)-1-N-(pyridin-4-ylmethyl)b...)
Show SMILES CC1CCCCC1NS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCc1ccncc1
Show InChI InChI=1S/C19H25N3O4S2/c1-15-4-2-3-5-19(15)22-28(25,26)18-8-6-17(7-9-18)27(23,24)21-14-16-10-12-20-13-11-16/h6-13,15,19,21-22H,2-5,14H2,1H3
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n/an/a 1.43E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q25B012X
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM35354
PNG
(4-N-(2-methylcyclohexyl)-1-N-(pyridin-4-ylmethyl)b...)
Show SMILES CC1CCCCC1NS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCc1ccncc1
Show InChI InChI=1S/C19H25N3O4S2/c1-15-4-2-3-5-19(15)22-28(25,26)18-8-6-17(7-9-18)27(23,24)21-14-16-10-12-20-13-11-16/h6-13,15,19,21-22H,2-5,14H2,1H3
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n/an/a>3.30E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2319T8T
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens (Human))
BDBM35354
PNG
(4-N-(2-methylcyclohexyl)-1-N-(pyridin-4-ylmethyl)b...)
Show SMILES CC1CCCCC1NS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCc1ccncc1
Show InChI InChI=1S/C19H25N3O4S2/c1-15-4-2-3-5-19(15)22-28(25,26)18-8-6-17(7-9-18)27(23,24)21-14-16-10-12-20-13-11-16/h6-13,15,19,21-22H,2-5,14H2,1H3
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n/an/a 3.28E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM35354
PNG
(4-N-(2-methylcyclohexyl)-1-N-(pyridin-4-ylmethyl)b...)
Show SMILES CC1CCCCC1NS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCc1ccncc1
Show InChI InChI=1S/C19H25N3O4S2/c1-15-4-2-3-5-19(15)22-28(25,26)18-8-6-17(7-9-18)27(23,24)21-14-16-10-12-20-13-11-16/h6-13,15,19,21-22H,2-5,14H2,1H3
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n/an/a>5.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935ZR
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM35354
PNG
(4-N-(2-methylcyclohexyl)-1-N-(pyridin-4-ylmethyl)b...)
Show SMILES CC1CCCCC1NS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCc1ccncc1
Show InChI InChI=1S/C19H25N3O4S2/c1-15-4-2-3-5-19(15)22-28(25,26)18-8-6-17(7-9-18)27(23,24)21-14-16-10-12-20-13-11-16/h6-13,15,19,21-22H,2-5,14H2,1H3
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n/an/a 5.58E+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/Q2862F26
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM35354
PNG
(4-N-(2-methylcyclohexyl)-1-N-(pyridin-4-ylmethyl)b...)
Show SMILES CC1CCCCC1NS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCc1ccncc1
Show InChI InChI=1S/C19H25N3O4S2/c1-15-4-2-3-5-19(15)22-28(25,26)18-8-6-17(7-9-18)27(23,24)21-14-16-10-12-20-13-11-16/h6-13,15,19,21-22H,2-5,14H2,1H3
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n/an/a>3.30E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair