BDBM54207 MLS000538647::N-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-4-nitro-pyrazole-3-carboxamide::N-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-4-nitropyrazole-3-carboxamide::N-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-4-nitro-1-methyl-1H-pyrazole-3-carboxamide::N-[4-(3,4-dimethylphenyl)-5-methyl-2-thiazolyl]-1-methyl-4-nitro-3-pyrazolecarboxamide::N-[4-(3,4-dimethylphenyl)-5-methyl-thiazol-2-yl]-1-methyl-4-nitro-pyrazole-3-carboxamide::SMR000160112::cid_998879

SMILES Cc1sc(NC(=O)c2nn(C)cc2[N+]([O-])=O)nc1-c1ccc(C)c(C)c1

InChI Key InChIKey=SSVYZBWWFLPCPS-UHFFFAOYSA-N

Data  2 IC50  4 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 54207   

TargetNucleotide-binding oligomerization domain-containing protein 2(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 54207BDBM54207(MLS000538647 | cid_998879 | N-[4-(3,4-dimethylphen...)
Affinity DataIC50: 3.82E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2011
Entry Details
PCBioAssay
TargetTumor necrosis factor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 54207BDBM54207(MLS000538647 | cid_998879 | N-[4-(3,4-dimethylphen...)
Affinity DataIC50: 6.72E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 54207BDBM54207(MLS000538647 | cid_998879 | N-[4-(3,4-dimethylphen...)
Affinity DataEC50:  9.93E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2011
Entry Details
PCBioAssay
TargetBeta-2 adrenergic receptor(Human)
Nmmlsc

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 54207BDBM54207(MLS000538647 | cid_998879 | N-[4-(3,4-dimethylphen...)
Affinity DataEC50:  6.41E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: R03 MH093192-01 Project Title: HTS for Non-Canonical Ligands for Beta 2 Adrenergic Receptor...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/6/2012
Entry Details
PCBioAssay