BDBM44245 2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(4-chloroanilino)ethylidene]-5-keto-2-pyrazolin-3-yl]acetic acid methyl ester::2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(4-chloroanilino)ethylidene]-5-oxo-3-pyrazolyl]acetic acid methyl ester::MLS000778920::SMR000415623::cid_6861088::methyl 2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(4-chloroanilino)ethylidene]-5-oxopyrazol-3-yl]acetate::methyl 2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-[(4-chlorophenyl)amino]ethylidene]-5-oxidanylidene-pyrazol-3-yl]ethanoate::{1-Benzothiazol-2-yl-4-[1-(4-chloro-phenylamino)-eth-(E)-ylidene]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}-ac etic acid methyl ester

SMILES COC(=O)Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(Cl)cc1

InChI Key InChIKey=TUFXMLNRKGQXIH-UHFFFAOYSA-N

Data  2 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 3 hits for monomerid = 44245   

TargetSolute carrier family 12 member 5(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandPNGBDBM44245(methyl 2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-[(4-...)
Affinity DataEC50:  7.73E+4nMAssay Description:Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM44245(methyl 2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-[(4-...)
Affinity DataIC50: 39.1nMAssay 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(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM44245(methyl 2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-[(4-...)
Affinity DataIC50: 36.9nMAssay 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