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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

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 12854   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor X


(Homo sapiens (Human))
BDBM12854
PNG
(Pyrazolo[4,3-d]pyrimidinone 12 | ethyl 1-(3-amino-...)
Show SMILES CCOC(=O)c1nn(-c2ccc3onc(N)c3c2)c2c1ncn(-c1ccc(cc1)-c1ccccc1CN1CCCC1)c2=O
Show InChI InChI=1S/C32H29N7O4/c1-2-42-32(41)28-27-29(39(35-28)23-13-14-26-25(17-23)30(33)36-43-26)31(40)38(19-34-27)22-11-9-20(10-12-22)24-8-4-3-7-21(24)18-37-15-5-6-16-37/h3-4,7-14,17,19H,2,5-6,15-16,18H2,1H3,(H2,33,36)
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Article
PubMed
1.60 -11.9n/an/an/an/an/a7.022



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay 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...


Bioorg Med Chem Lett 16: 5176-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.002
BindingDB Entry DOI: 10.7270/Q29K48GC
More data for this
Ligand-Target Pair