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BDBM67404 1-[4-(trifluoromethoxy)phenyl]sulfonyl-2-benzimidazolamine::1-[4-(trifluoromethoxy)phenyl]sulfonylbenzimidazol-2-amine::1-[4-(trifluoromethyloxy)phenyl]sulfonylbenzimidazol-2-amine::MLS-0435748.0001::[1-[4-(trifluoromethoxy)phenyl]sulfonylbenzimidazol-2-yl]amine::cid_45253887

SMILES: Nc1nc2ccccc2n1S(=O)(=O)c1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=GAWCQNPYZRKFGL-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 = 67404   
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 1


(Homo sapiens (Human))
BDBM67404
PNG
(1-[4-(trifluoromethoxy)phenyl]sulfonyl-2-benzimida...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C14H10F3N3O3S/c15-14(16,17)23-9-5-7-10(8-6-9)24(21,22)20-12-4-2-1-3-11(12)19-13(20)18/h1-8H,(H2,18,19)
PDB
MMDB

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PC cid
PC sid
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Similars

PCBioAssay
n/an/a 8.94E+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 (2010)


BindingDB Entry DOI: 10.7270/Q23J3BDQ
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM67404
PNG
(1-[4-(trifluoromethoxy)phenyl]sulfonyl-2-benzimida...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C14H10F3N3O3S/c15-14(16,17)23-9-5-7-10(8-6-9)24(21,22)20-12-4-2-1-3-11(12)19-13(20)18/h1-8H,(H2,18,19)
PDB
MMDB

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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

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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/Q2V1237V
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM67404
PNG
(1-[4-(trifluoromethoxy)phenyl]sulfonyl-2-benzimida...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C14H10F3N3O3S/c15-14(16,17)23-9-5-7-10(8-6-9)24(21,22)20-12-4-2-1-3-11(12)19-13(20)18/h1-8H,(H2,18,19)
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