BDBM46544 4-[[2-methyl-4-phenyl-5-(trifluoromethyl)-3-pyrazolyl]amino]-4-oxobutanoic acid::4-[[2-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]amino]-4-oxidanylidene-butanoic acid::4-[[2-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]amino]-4-oxobutanoic acid::4-keto-4-[[2-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]amino]butyric acid::4-{[1-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]amino}-4-oxobutanoic acid::MLS000850946::SMR000456963::cid_2741013

SMILES Cn1nc(c(c1NC(=O)CCC(O)=O)-c1ccccc1)C(F)(F)F

InChI Key InChIKey=ZTSFBQQFICEKLR-UHFFFAOYSA-N

Data  1 IC50  2 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 = 46544   

TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM46544(SMR000456963 | cid_2741013 | 4-{[1-methyl-4-phenyl...)
Affinity DataIC50: 5.00E+4nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/8/2011
Entry Details
PCBioAssay
TargetEukaryotic translation initiation factor 2-alpha kinase 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM46544(SMR000456963 | cid_2741013 | 4-{[1-methyl-4-phenyl...)
Affinity DataEC50: >5.57E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetEukaryotic translation initiation factor 2-alpha kinase 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM46544(SMR000456963 | cid_2741013 | 4-{[1-methyl-4-phenyl...)
Affinity DataEC50: >5.57E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay