BDBM14111 (2S)-N-[(2S)-1-(1-benzothiophen-2-yl)-5-carbamimidamido-1-oxopentan-2-yl]-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide::2-ketobenzothiazole 51::CHEMBL256591

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)-c1cc2ccccc2s1

InChI Key InChIKey=XTASMIYFRGFFDD-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 14111   

TargetSerine protease 1(Bovine)
Johnson & Johnson Pharmaceutical

LigandPNGBDBM14111(CHEMBL256591 | (2S)-N-[(2S)-1-(1-benzothiophen-2-y...)
Affinity DataKi:  1.30E+3nMAssay 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

LigandPNGBDBM14111(CHEMBL256591 | (2S)-N-[(2S)-1-(1-benzothiophen-2-y...)
Affinity DataKi:  1.34E+3nMAssay Description:Inhibition of bovine trypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/1/2012
Entry Details Article
PubMed
TargetProthrombin(Human)
Johnson & Johnson Pharmaceutical

LigandPNGBDBM14111(CHEMBL256591 | (2S)-N-[(2S)-1-(1-benzothiophen-2-y...)
Affinity DataKi:  2.40E+3nM IC50: 1.30E+4nMAssay 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

LigandPNGBDBM14111(CHEMBL256591 | (2S)-N-[(2S)-1-(1-benzothiophen-2-y...)
Affinity DataKi:  2.40E+3nMAssay Description:Binding affinity to human thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetProthrombin(Human)
Johnson & Johnson Pharmaceutical

LigandPNGBDBM14111(CHEMBL256591 | (2S)-N-[(2S)-1-(1-benzothiophen-2-y...)
Affinity DataKi:  2.40E+3nMAssay Description:Inhibition of human alpha-thrombin.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/1/2012
Entry Details Article
PubMed
TargetProthrombin(Human)
Johnson & Johnson Pharmaceutical

LigandPNGBDBM14111(CHEMBL256591 | (2S)-N-[(2S)-1-(1-benzothiophen-2-y...)
Affinity DataKi:  2.40E+3nMAssay Description:Inhibition of human alpha-thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed