BDBM50090238 3,3-Dimethyl-6-{3-[4-(2-morpholin-4-yl-2-oxo-ethyl)-piperazin-1-yl]-3-oxo-propyl}-1,2,3,4-tetrahydro-quinoline-8-sulfonic acid {(S)-1-benzothiazol-2-ylmethyl-2-[4-(2-fluoro-ethyl)-piperidin-1-yl]-2-oxo-ethyl}-amide::CHEMBL263806

SMILES CC1(C)CNc2c(C1)cc(CCC(=O)N1CCN(CC(=O)N3CCOCC3)CC1)cc2S(=O)(=O)N[C@@H](Cc1nc2ccccc2s1)C(=O)N1CCC(CCF)CC1

InChI Key InChIKey=NGSSXFJBDKWOIB-UHFFFAOYSA-N

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50090238   

TargetProthrombin(Human)
Novartis Horsham Research Centre

Curated by ChEMBL
LigandPNGBDBM50090238(3,3-Dimethyl-6-{3-[4-(2-morpholin-4-yl-2-oxo-ethyl...)
Affinity DataKi:  57nMAssay Description:Evaluated for the binding affinity against thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetChymotrypsin-C(Human)
Novartis Horsham Research Centre

Curated by ChEMBL
LigandPNGBDBM50090238(3,3-Dimethyl-6-{3-[4-(2-morpholin-4-yl-2-oxo-ethyl...)
Affinity DataKi:  1.22E+4nMAssay Description:Inhibitory activity against Serine protease chymotrypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSerine protease 1(Human)
Novartis Horsham Research Centre

Curated by ChEMBL
LigandPNGBDBM50090238(3,3-Dimethyl-6-{3-[4-(2-morpholin-4-yl-2-oxo-ethyl...)
Affinity DataKi:  1.53E+5nMAssay Description:Inhibitory activity against trypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetPlasminogen(Human)
Novartis Horsham Research Centre

Curated by ChEMBL
LigandPNGBDBM50090238(3,3-Dimethyl-6-{3-[4-(2-morpholin-4-yl-2-oxo-ethyl...)
Affinity DataKi:  2.12E+5nMAssay Description:Inhibitory activity against plasminMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed