BDBM11989 2-chloro-5-[(4Z)-3-methyl-5-oxo-4-{[4-(propan-2-yl)phenyl]methylidene}-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid::chemical diversity library compound 14

SMILES CC(C)c1ccc(C=c2c(=C)[nH]n(-c3ccc(Cl)c(c3)C(O)=O)c2=O)cc1

InChI Key InChIKey=VYPKNNKZPPPJNQ-UHFFFAOYSA-N

Data  1 KI  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 = 11989   

TargetLethal factor(Bacillus anthracis)
Montana State University

LigandPNGBDBM11989(2-chloro-5-[(4Z)-3-methyl-5-oxo-4-{[4-(propan-2-yl...)
Affinity DataKi:  900nM ΔG°:  -8.30kcal/mole IC50:  8.20E+3nMpH: 7.2 T: 2°CAssay Description:For selected lead compounds from fluorescence-based high-throughput screening, Km and Vmax were calculated using the double-reciprocal Lineweaver-Bur...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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