BDBM95679 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester::3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester::MLS000057192::SMR000064784::[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 1-benzyl-3,5-dimethylpyrazole-4-carboxylate::[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate::cid_2571013

SMILES Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)Nc1ccccc1SCC#N

InChI Key InChIKey=HTQPOVOYPJSQTA-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 95679   

TargetTegument protein VP16(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM95679(1-benzyl-3,5-dimethyl-pyrazole-4-carboxylic acid [...)
Affinity DataIC50: >3.59E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetNuclear receptor subfamily 5 group A member 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM95679(1-benzyl-3,5-dimethyl-pyrazole-4-carboxylic acid [...)
Affinity DataIC50: >1.33E+3nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay