BDBM12662 1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-5-[4-(1-methylimidazol-2-yl)-2-fluorophenyl)aminocarbonyl]-Bis(trifluoroacetic acid) Salt::1-(3-amino-1,2-benzoxazol-5-yl)-N-[2-fluoro-4-(1-methyl-1H-imidazol-2-yl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide; bis(2,2,2-trifluoroacetic acid)::Razaxaban Analogue::aminobenzisoxazole 28

SMILES Cn1ccnc1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1

InChI Key InChIKey=JBAZPOYGAUQDAO-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 12662   

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

LigandPNGBDBM12662(1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-5-[...)
Affinity DataKi:  0.510nM ΔG°:  -12.5kcal/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 DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

LigandPNGBDBM12662(1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-5-[...)
Affinity DataKi:  34nMAssay 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 DepthDetails ArticlePubMed
TargetSerine protease 1(Bos taurus (bovine))
Bristol-Myers Squibb Pharmaceutical Research Institute

LigandPNGBDBM12662(1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-5-[...)
Affinity DataKi: >2.50E+3nMAssay 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 DepthDetails ArticlePubMed