BDBM19729 8-{[(2S)-2-(methoxymethyl)pyrrolidine-1-]sulfonyl}-3,3-dimethyl-2H,3H,4H,10H-pyrimido[1,2-a]indol-10-one::WAY-207890

SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N3CC(C)(C)CN=C3C(=O)c2c1

InChI Key InChIKey=ZOZALKWQMYXXPW-UHFFFAOYSA-N

Data  1 KI  2 ITC

  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 1 hit for monomerid = 19729   

TargetCaspase-3(Human)
Wyeth Research

LigandPNGBDBM19729(8-{[(2S)-2-(methoxymethyl)pyrrolidine-1-]sulfonyl}...)
Affinity DataKi:  265nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2007
Entry Details Article
PubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 19729   

CellCaspase-3(Human)
Wyeth Research

SyringePNGBDBM19729(8-{[(2S)-2-(methoxymethyl)pyrrolidine-1-]sulfonyl}...)
ITC DataΔG°: -11.0kcal/mole −TΔS°: -8.18kcal/mole ΔH°: -2.75kcal/mole logk: 1.25E+8
pH: 7.2 T: 25.00°C 
In DepthDetails Article
PubMed
CellCaspase-3|IST-1 Complex(Human)
Wyeth Research

SyringePNGBDBM19729(8-{[(2S)-2-(methoxymethyl)pyrrolidine-1-]sulfonyl}...)
ITC DataΔG°: -8.94kcal/mole −TΔS°: -4.27kcal/mole ΔH°: -4.66kcal/mole logk: 3.63E+6
pH: 7.2 T: 25.00°C 
In DepthDetails Article
PubMed