BDBM12670 1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-5-[[(2-aminocarbonyl-4-(2-methylimidazol-1-yl)phenyl]aminocarbonyl]pyrazole, Bis(trifluoroacetic acid) Salt::1-(3-amino-1,2-benzoxazol-5-yl)-N-[2-carbamoyl-4-(2-methyl-1H-imidazol-1-yl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide; bis(2,2,2-trifluoroacetic acid)::Razaxaban Analogue::aminobenzisoxazole 46

SMILES Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(c1)C(N)=O

InChI Key InChIKey=XEHHJCXFVJSRRN-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 12670   

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

LigandPNGBDBM12670(1-(3-amino-1,2-benzoxazol-5-yl)-N-[2-carbamoyl-4-(...)
Affinity DataKi:  7.70nM ΔG°:  -10.9kcal/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:
12/19/2006
Entry Details Article
PubMed
TargetProthrombin(Human)
Bristol-Myers Squibb Pharmaceutical Research Institute

LigandPNGBDBM12670(1-(3-amino-1,2-benzoxazol-5-yl)-N-[2-carbamoyl-4-(...)
Affinity DataKi: >2.10E+4nMAssay 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