BDBM14129 2-[(2S)-5-carbamimidamido-2-{[(2S)-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}pentanoyl]-1,3-benzothiazole-6-carboxylic acid::2-ketobenzothiazole 4::CHEMBL403929::RWJ-51438

SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccc(cc2s1)-[#6](-[#8])=O

InChI Key InChIKey=XNPQCHOSZVJBHP-BDTNDASRSA-N

Data  4 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 4 hits for monomerid = 14129   

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

LigandPNGBDBM14129(2-[(2S)-5-carbamimidamido-2-{[(2S)-1-[(2R)-2-(meth...)
Affinity DataKi:  2nM IC50:  45nMAssay 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

LigandPNGBDBM14129(2-[(2S)-5-carbamimidamido-2-{[(2S)-1-[(2R)-2-(meth...)
Affinity DataKi:  2nMAssay Description:Inhibition of human alpha-thrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM14129(2-[(2S)-5-carbamimidamido-2-{[(2S)-1-[(2R)-2-(meth...)
Affinity DataKi:  2nMAssay Description:Binding affinity to human thrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine protease 1(Bos taurus (bovine))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM14129(2-[(2S)-5-carbamimidamido-2-{[(2S)-1-[(2R)-2-(meth...)
Affinity DataKi:  2.70nMAssay 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