BDBM14139 (2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-oxopentan-2-yl]-1-[(2S)-3-hydroxy-2-(naphthalene-1-sulfonamido)propanoyl]pyrrolidine-2-carboxamide::2-ketobenzothiazole 77

SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]S(=O)(=O)c1cccc2ccccc12)-[#6](=O)-c1nc2ccccc2s1

InChI Key InChIKey=YKELLPNRLHISGC-UHFFFAOYSA-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 = 14139   

TargetProthrombin(Human)
Johnson & Johnson Pharmaceutical

LigandPNGBDBM14139((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimi...)
Affinity DataKi:  0.780nM IC50: 110nMAssay 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
TargetProthrombin(Human)
Johnson & Johnson Pharmaceutical

LigandPNGBDBM14139((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimi...)
Affinity DataKi:  0.800nMAssay Description:Inhibition of human alpha-thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetSerine protease 1(Bovine)
Johnson & Johnson Pharmaceutical

LigandPNGBDBM14139((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimi...)
Affinity DataKi:  2.90nMAssay 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