BDBM14068 (2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-oxopentan-2-yl]-1-[(2R)-3-cyclohexyl-2-(methylamino)propanoyl]pyrrolidine-2-carboxamide::2-ketobenzothiazole 8

SMILES [#6]-[#7]-[#6@H](-[#6]-[#6]-1-[#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=KFARXBFPTSEBNG-PDQYLBCOSA-N

Data  2 KI  1 IC50

  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 2 hits for monomerid = 14068   

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

LigandPNGBDBM14068((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
Affinity DataKi:  0.180nM ΔG°:  -13.8kcal/mole IC50:  48nMpH: 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

LigandPNGBDBM14068((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...)
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