BDBM32653 m-chlorobenzylamide, 2

SMILES N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)NCc1cccc(Cl)c1

InChI Key InChIKey=CJHLRGCXPGIPCB-UHFFFAOYSA-N

Data  2 KI  1 ITC

  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 2 hits for monomerid = 32653   

TargetProthrombin(Human)
Philipps University Marburg

LigandPNGBDBM32653(m-chlorobenzylamide, 2)
Affinity DataKi:  180nM ΔG°:  -9.19kcal/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
TargetProthrombin(Human)
Philipps University Marburg

LigandPNGBDBM32653(m-chlorobenzylamide, 2)
Affinity DataKi:  180nMAssay Description:Inhibition of human thrombin using pefachrom tPa as substrate after 3 mins by photometric methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/10/2017
Entry Details Article
PubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 32653   

CellThrombin(Human)
Philipps University Marburg

SyringePNGBDBM32653(m-chlorobenzylamide, 2)
ITC DataΔG°: -8.46kcal/mole −TΔS°: 0.406kcal/mole ΔH°: -8.86kcal/mole
pH: 7.8 T: 25.00°C