BDBM14127 2-(5-carbamimidamido-2-{[(2S)-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}pentanoyl)-1,3-benzothiazole-6-carboxamide::2-ketobenzothiazole 67

SMILES [#6]-[#7]-[#6@H](-[#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)-c1nc2ccc(cc2s1)-[#6](-[#7])=O

InChI Key InChIKey=HCDHXEDFPLMKPR-UHFFFAOYSA-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 = 14127   

TargetProthrombin(Human)
Johnson & Johnson Pharmaceutical

LigandPNGBDBM14127(2-(5-carbamimidamido-2-{[(2S)-1-[(2R)-2-(methylami...)
Affinity DataKi:  0.00700nM IC50: 5nMAssay 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 Depth
Date in BDB:
3/5/2007
Entry Details Article
PubMed
TargetSerine protease 1(Bovine)
Johnson & Johnson Pharmaceutical

LigandPNGBDBM14127(2-(5-carbamimidamido-2-{[(2S)-1-[(2R)-2-(methylami...)
Affinity DataKi:  0.300nMAssay 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 Depth
Date in BDB:
3/5/2007
Entry Details Article
PubMed