BDBM32652 m-chlorobenzylamide, 1

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

InChI Key InChIKey=OTYYXGRJXJFTCD-KWCCSABGSA-N

Data  1 KI  1 ITC

PDB links: 1 PDB ID matches this monomer.

  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 1 hit for monomerid = 32652   

TargetProthrombin(Homo sapiens (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

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 32652   

CellThrombin(Homo sapiens (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