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BDBM67413 2-(4-fluoranyl-3-methyl-phenyl)sulfonyl-5-(4-methoxyphenyl)pyrazol-3-amine::2-(4-fluoro-3-methylphenyl)sulfonyl-5-(4-methoxyphenyl)-3-pyrazolamine::2-(4-fluoro-3-methylphenyl)sulfonyl-5-(4-methoxyphenyl)pyrazol-3-amine::MLS-0435774.0001::[2-(4-fluoro-3-methyl-phenyl)sulfonyl-5-(4-methoxyphenyl)pyrazol-3-yl]amine::cid_20873617

SMILES: COc1ccc(cc1)-c1cc(N)n(n1)S(=O)(=O)c1ccc(F)c(C)c1

InChI Key: InChIKey=MFWYYWOINJHALU-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 67413   
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
Nucleotide-binding oligomerization domain-containing protein 1


(Homo sapiens (Human))
BDBM67413
PNG
(2-(4-fluoranyl-3-methyl-phenyl)sulfonyl-5-(4-metho...)
Show SMILES COc1ccc(cc1)-c1cc(N)n(n1)S(=O)(=O)c1ccc(F)c(C)c1
Show InChI InChI=1S/C17H16FN3O3S/c1-11-9-14(7-8-15(11)18)25(22,23)21-17(19)10-16(20-21)12-3-5-13(24-2)6-4-12/h3-10H,19H2,1-2H3
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>2.00E+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/Q23J3BDQ
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM67413
PNG
(2-(4-fluoranyl-3-methyl-phenyl)sulfonyl-5-(4-metho...)
Show SMILES COc1ccc(cc1)-c1cc(N)n(n1)S(=O)(=O)c1ccc(F)c(C)c1
Show InChI InChI=1S/C17H16FN3O3S/c1-11-9-14(7-8-15(11)18)25(22,23)21-17(19)10-16(20-21)12-3-5-13(24-2)6-4-12/h3-10H,19H2,1-2H3
PDB
MMDB

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UniChem

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PCBioAssay
n/an/a 1.99E+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/Q2V1237V
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM67413
PNG
(2-(4-fluoranyl-3-methyl-phenyl)sulfonyl-5-(4-metho...)
Show SMILES COc1ccc(cc1)-c1cc(N)n(n1)S(=O)(=O)c1ccc(F)c(C)c1
Show InChI InChI=1S/C17H16FN3O3S/c1-11-9-14(7-8-15(11)18)25(22,23)21-17(19)10-16(20-21)12-3-5-13(24-2)6-4-12/h3-10H,19H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>2.00E+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/Q2ZS2TX1
More data for this
Ligand-Target Pair