BDBM32652 m-chlorobenzylamide, 1

SMILES CC[C@@H](N)C(=O)N1CCCC1C(=O)NCc1cccc(Cl)c1

InChI Key InChIKey=OTYYXGRJXJFTCD-UHFFFAOYSA-N

Data  1 KI  1 ITC

  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 1 hit for monomerid = 32652   

TargetProthrombin(Human)
Philipps University Marburg

LigandPNGBDBM32652(m-chlorobenzylamide, 1)
Affinity DataKi:  6.80E+3nM ΔG°:  -7.04kcal/molepH: 7.4 T: 2°CAssay Description:Kinetic inhibition of human thrombin was determined photometrically at 405 nm using the chromogenic substrate Pefachrom tPa. Reactions were performed...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2009
Entry Details Article
PubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 32652   

CellThrombin(Human)
Philipps University Marburg

SyringePNGBDBM32652(m-chlorobenzylamide, 1)
ITC DataΔG°: -7.48kcal/mole −TΔS°: 0.527kcal/mole ΔH°: -8.00kcal/mole
pH: 7.8 T: 25.00°C