BDBM50125 MLS000526265::N-[4'-Methyl-2-(3-nitro-phenylamino)-[4,5']bithiazolyl-2'-yl]-acetamide::N-[4-methyl-5-[2-(3-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide::N-[4-methyl-5-[2-(3-nitroanilino)-4-thiazolyl]-2-thiazolyl]acetamide::N-[4-methyl-5-[2-(3-nitroanilino)thiazol-4-yl]thiazol-2-yl]acetamide::N-[4-methyl-5-[2-[(3-nitrophenyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanamide::SMR000116739::cid_2902308

SMILES CC(=O)Nc1nc(C)c(s1)-c1csc(Nc2cccc(c2)[N+]([O-])=O)n1

InChI Key InChIKey=VCGYNRNTEBKAIL-UHFFFAOYSA-N

Data  5 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50125   

TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM50125(MLS000526265 | N-[4'-Methyl-2-(3-nitro-phenyla...)
Affinity DataIC50:  902nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetGlycoprotein 42(Human herpesvirus 4 type 2)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM50125(MLS000526265 | N-[4'-Methyl-2-(3-nitro-phenyla...)
Affinity DataIC50:  3.23E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSerine/threonine-protein kinase TAO2(Rattus norvegicus)
University Of Texas Southwestern Medical Center

Curated by ChEMBL
LigandPNGBDBM50125(MLS000526265 | N-[4'-Methyl-2-(3-nitro-phenyla...)
Affinity DataIC50:  1.01E+4nMAssay Description:Inhibition of rat TAOK2 (1 to 320 residues) expressed in Baculovirus/insect cell expression system assessed as remaining activity using MBP as substr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNucleotide-binding oligomerization domain-containing protein 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50125(MLS000526265 | N-[4'-Methyl-2-(3-nitro-phenyla...)
Affinity DataEC50:  9.40E+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 DepthDetails PCBioAssay
TargetTumor necrosis factor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50125(MLS000526265 | N-[4'-Methyl-2-(3-nitro-phenyla...)
Affinity DataIC50:  1.11E+4nMAssay 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 DepthDetails PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 2(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50125(MLS000526265 | N-[4'-Methyl-2-(3-nitro-phenyla...)
Affinity DataIC50:  8.61E+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 DepthDetails PCBioAssay