BDBM51704 (2S)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetic acid [2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl] ester::(2S)-2-phenyl-2-(tosylamino)acetic acid [2-keto-4-(trifluoromethyl)chromen-7-yl] ester::2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl {[(4-methylphenyl)sulfonyl]amino}(phenyl)acetate::MLS000575791::SMR000196826::[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] (2S)-2-[(4-methylphenyl)sulfonylamino]-2-phenyl-ethanoate::[2-oxo-4-(trifluoromethyl)chromen-7-yl] (2S)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate::cid_1326324

SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H](C(=O)Oc1ccc2c(cc(=O)oc2c1)C(F)(F)F)c1ccccc1

InChI Key InChIKey=NNLCQIISQBEMGB-UHFFFAOYSA-N

Data  5 IC50

  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 5 hits for monomerid = 51704   

TargetdTDP-4-dehydrorhamnose 3,5-epimerase(Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM51704(cid_1326324 | MLS000575791 | (2S)-2-[(4-methylphen...)
Affinity DataIC50: 3.69E+3nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State Universi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2011
Entry Details
PCBioAssay
TargetProtein Rev(Human immunodeficiency virus type 1)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM51704(cid_1326324 | MLS000575791 | (2S)-2-[(4-methylphen...)
Affinity DataIC50: 2.69E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/30/2011
Entry Details
PCBioAssay
TargetFemale germline-specific tumor suppressor gld-1(Caenorhabditis elegans)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM51704(cid_1326324 | MLS000575791 | (2S)-2-[(4-methylphen...)
Affinity DataIC50: 3.89E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/12/2011
Entry Details
PCBioAssay
TargetToll-like receptor 9(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM51704(cid_1326324 | MLS000575791 | (2S)-2-[(4-methylphen...)
Affinity DataIC50: 6.75E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/4/2012
Entry Details
PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM51704(cid_1326324 | MLS000575791 | (2S)-2-[(4-methylphen...)
Affinity DataIC50: 3.73E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/4/2012
Entry Details
PCBioAssay