BDBM32658 m-chlorobenzylamide, 7

SMILES N[C@H](CC1CCCCC1)C(=O)N1CCCC1C(=O)NCc1cccc(Cl)c1

InChI Key InChIKey=JGFCNVHEEMBVJG-UHFFFAOYSA-N

Data  2 KI  4 ITC

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 32658   

TargetProthrombin(Human)
Philipps University Marburg

LigandPNGBDBM32658(m-chlorobenzylamide, 7)
Affinity DataKi:  100nM ΔG°:  -9.54kcal/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

LigandPNGBDBM32658(m-chlorobenzylamide, 7)
Affinity DataKi:  100nMAssay 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 4 hits for monomerid = 32658   

CellThrombin(Human)
Philipps University Marburg

SyringePNGBDBM32658(m-chlorobenzylamide, 7)
ITC DataΔG°: -9.29kcal/mole −TΔS°: -0.812kcal/mole ΔH°: -8.50kcal/mole
pH: 7.8 T: 25.00°C 
CellThrombin(Human)
Philipps University Marburg

SyringePNGBDBM32658(m-chlorobenzylamide, 7)
ITC DataΔG°: -8.69kcal/mole −TΔS°: -1.00kcal/mole ΔH°: -7.69kcal/mole
pH: 7.8 T: 25.00°C 
CellThrombin(Human)
Philipps University Marburg

SyringePNGBDBM32658(m-chlorobenzylamide, 7)
ITC DataΔG°: -9.48kcal/mole −TΔS°: -1.79kcal/mole ΔH°: -7.67kcal/mole
pH: 7.8 T: 25.00°C 
CellThrombin(Human)
Philipps University Marburg

SyringePNGBDBM32658(m-chlorobenzylamide, 7)
ITC DataΔG°: -9.34kcal/mole −TΔS°: -1.79kcal/mole ΔH°: -7.55kcal/mole
pH: 7.8 T: 25.00°C