BDBM51629 1-(4-chlorophenyl)-6-cyano-7-ethyl-5-keto-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid ethyl ester::1-(4-chlorophenyl)-6-cyano-7-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid ethyl ester::MLS000548491::SMR000115525::cid_1234419::ethyl 1-(4-chlorophenyl)-6-cyano-7-ethyl-5-oxidanylidene-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate::ethyl 1-(4-chlorophenyl)-6-cyano-7-ethyl-5-oxo-1,5-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate::ethyl 1-(4-chlorophenyl)-6-cyano-7-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate

SMILES CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2nc(CC)c(C#N)c(=O)n12

InChI Key InChIKey=QUNXGIQIYMOODQ-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 51629   

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

Curated by PubChem BioAssay
LigandPNGBDBM51629(ethyl 1-(4-chlorophenyl)-6-cyano-7-ethyl-5-oxo-1,5...)
Affinity DataIC50: 1.18E+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