BDBM14137 2-ketobenzothiazole 75::methyl (3S)-4-[(2S)-2-{[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}pyrrolidin-1-yl]-4-oxo-3-(2-propylpentanamido)butanoate

SMILES [#6]-[#6]-[#6]-[#6](-[#6]-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](=O)-[#8]-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1

InChI Key InChIKey=YZRPOCXUTRHLGV-VABKMULXSA-N

Data  3 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 3 hits for monomerid = 14137   

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

LigandPNGBDBM14137(2-ketobenzothiazole 75 | methyl (3S)-4-[(2S)-2-{[(...)
Affinity DataKi:  1.40nM IC50:  56nMAssay 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
TargetProthrombin(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM14137(2-ketobenzothiazole 75 | methyl (3S)-4-[(2S)-2-{[(...)
Affinity DataKi:  1.40nMAssay Description:Inhibition of human alpha-thrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine protease 1(Bos taurus (bovine))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM14137(2-ketobenzothiazole 75 | methyl (3S)-4-[(2S)-2-{[(...)
Affinity DataKi:  16nMAssay 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