BDBM14071 (2S)-1-(2-amino-2-benzylpropanoyl)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-oxopentan-2-yl]pyrrolidine-2-carboxamide::2-ketobenzothiazole 11

SMILES [#6]C([#7])([#6]-c1ccccc1)[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1

InChI Key InChIKey=PSMQXPWUXHJZAF-GTXVHKGBSA-N

Data  2 KI  1 IC50

  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 = 14071   

TargetProthrombin(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM14071((2S)-1-(2-amino-2-benzylpropanoyl)-N-[1-(1,3-benzo...)
Affinity DataKi:  0.200nM ΔG°:  -13.8kcal/mole IC50:  3.5nMpH: 7.4 T: 2°CAssay Description:Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine protease 1(Bos taurus (bovine))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM14071((2S)-1-(2-amino-2-benzylpropanoyl)-N-[1-(1,3-benzo...)
Affinity DataKi:  3.90nMAssay Description:Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed