BDBM12861 1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phenyl)phenyl]-3,5-dimethyl-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one::Pyrazolo[4,3-d]pyrimidinone 19g

SMILES Cc1nn(-c2ccc3onc(N)c3c2)c2c1nc(C)n(-c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)c2=O

InChI Key InChIKey=POCPCDOLJIBGGA-UHFFFAOYSA-N

Data  3 KI

  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 3 hits for monomerid = 12861   

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

LigandPNGBDBM12861(1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3R)-3-h...)
Affinity DataKi:  0.370nM ΔG°:  -12.7kcal/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
TargetProthrombin(Human)
Bristol-Myers Squibb Pharmaceutical Research Institute

LigandPNGBDBM12861(1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3R)-3-h...)
Affinity DataKi:  245nM ΔG°:  -8.92kcal/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
TargetCoagulation factor IX(Human)
Bristol-Myers Squibb Pharmaceutical Research Institute

LigandPNGBDBM12861(1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3R)-3-h...)
Affinity DataKi: >4.10E+4nM ΔG°: >-5.98kcal/molepH: 7.4 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