BDBM12854 Pyrazolo[4,3-d]pyrimidinone 12::ethyl 1-(3-amino-1,2-benzoxazol-5-yl)-7-oxo-6-{4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl}-1H,6H,7H-pyrazolo[4,3-d]pyrimidine-3-carboxylate

SMILES CCOC(=O)c1nn(-c2ccc3onc(N)c3c2)c2c1ncn(-c1ccc(cc1)-c1ccccc1CN1CCCC1)c2=O

InChI Key InChIKey=CRWZCCGACHVJJJ-UHFFFAOYSA-N

Data  1 KI

  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 = 12854   

TargetCoagulation factor X(Human)
Bristol-Myers Squibb Pharmaceutical Research Institute

LigandPNGBDBM12854(ethyl 1-(3-amino-1,2-benzoxazol-5-yl)-7-oxo-6-{4-[...)
Affinity DataKi:  1.60nM ΔG°:  -11.9kcal/molepH: 7.0 T: 2°CAssay Description:Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/2/2007
Entry Details Article
PubMed