BDBM19730 3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2H,3H,4H,10H-pyrimido[1,2-a]indol-10-one::BMC177755 Compound 3::WAY-208698

SMILES CC1(C)CN=C2N(C1)c1ccc(cc1C2=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1

InChI Key InChIKey=CLFQAGXAQMUIHM-KRWDZBQOSA-N

Data  1 KI  1 IC50  1 ITC

  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 2 hits for monomerid = 19730   

TargetCaspase-3(Homo sapiens (Human))
Wyeth Research

LigandPNGBDBM19730(3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidine...)
Affinity DataKi:  478nMAssay Description:Enzyme activities with or without inhibitors were measured using a fluorescence assay. The formation of the cleavage product AFC was monitored for 90...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Homo sapiens (Human))
Wyeth Research

LigandPNGBDBM19730(3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidine...)
Affinity DataIC50:  7nMpH: 7.2 T: 2°CAssay Description:Caspase-3 was assayed at 23 deg C (room temp) in 96-well plates using the internally quenched tetrapeptide substrate. Enzymatic cleavage between the ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 19730   

CellCaspase-3(Homo sapiens (Human))
Wyeth Research

SyringePNGBDBM19730(3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidine...)
ITC DataΔG°: -10.1kcal/mole −TΔS°: -9.34kcal/mole ΔH°: -0.719kcal/mole logk: 2.50E+8
pH: 7.2 T: 25.00°C 
In DepthDetails ArticlePubMed