BDBM50090222 CHEMBL39086::MD805 Analogue

SMILES CC1(C)CNc2c(C1)cccc2S(=O)(=O)NC(Cc1nc2ccccc2s1)C(=O)N1CCC(CCF)CC1

InChI Key InChIKey=QAQMESYTRBVRBT-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50090222   

TargetProthrombin(Human)
Novartis Horsham Research Centre

Curated by ChEMBL
LigandPNGBDBM50090222(MD805 Analogue | CHEMBL39086)
Affinity DataKi:  26nMAssay Description:Compound was evaluated for its inhibitory activity against ThrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/1/2012
Entry Details Article
PubMed
TargetProthrombin(Human)
Novartis Horsham Research Centre

Curated by ChEMBL
LigandPNGBDBM50090222(MD805 Analogue | CHEMBL39086)
Affinity DataKi:  28nMAssay Description:Compound was evaluated for its inhibitory activity against ThrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/1/2012
Entry Details Article
PubMed
TargetChymotrypsin-C(Human)
Novartis Horsham Research Centre

Curated by ChEMBL
LigandPNGBDBM50090222(MD805 Analogue | CHEMBL39086)
Affinity DataKi:  8.40E+3nMAssay Description:Compound was evaluated for its inhibitory activity against Serine protease chymotrypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/1/2012
Entry Details Article
PubMed