BDBM12669 1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-5-[[(2-methoxy-4-(2-methylimidazol-1-yl)phenyl]aminocarbonyl]pyrazole, Bis(trifluoroacetic acid) Salt::1-(3-amino-1,2-benzoxazol-5-yl)-N-[2-methoxy-4-(2-methyl-1H-imidazol-1-yl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide; bis(2,2,2-trifluoroacetic acid)::Razaxaban Analogue::aminobenzisoxazole 45

SMILES COc1cc(ccc1NC(=O)c1cc(nn1-c1ccc2onc(N)c2c1)C(F)(F)F)-n1ccnc1C

InChI Key InChIKey=MACXGBZRDGAVDN-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 12669   

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

LigandPNGBDBM12669(1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-5-[...)
Affinity DataKi:  2.80nM ΔG°:  -11.5kcal/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:
12/19/2006
Entry Details Article
PubMed
TargetProthrombin(Human)
Bristol-Myers Squibb Pharmaceutical Research Institute

LigandPNGBDBM12669(1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-5-[...)
Affinity DataKi:  200nMAssay 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:
12/19/2006
Entry Details Article
PubMed