BDBM14077 (2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-oxopentan-2-yl]-1-{[1-(methylamino)cyclohexyl]carbonyl}pyrrolidine-2-carboxamide::2-ketobenzothiazole 17

SMILES [#6]-[#7]C1([#6]-[#6]-[#6]-[#6]-[#6]1)[#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=PGNYFNNGKFDODI-GGYWPGCISA-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 = 14077   

TargetSerine protease 1(Bos taurus (bovine))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM14077((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Affinity DataKi:  2.60nMAssay 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
TargetProthrombin(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM14077((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Affinity DataKi:  73nM ΔG°:  -10.1kcal/mole IC50:  490nMpH: 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