BDBM32657 benzamidine- based compound, 6

SMILES N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCCC1C(=O)NCc1ccc(cc1)C(N)=N

InChI Key InChIKey=ODAPDZPYLPTJOD-XSWBTSGESA-N

Data  1 KI  4 ITC

PDB links: 1 PDB ID matches this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 32657   

TargetProthrombin(Homo sapiens (Human))
Philipps University Marburg

LigandPNGBDBM32657(benzamidine- based compound, 6)
Affinity DataKi:  0.100nM ΔG°:  -13.6kcal/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 4 hits for monomerid = 32657   

CellThrombin(Homo sapiens (Human))
Philipps University Marburg

SyringePNGBDBM32657(benzamidine- based compound, 6)
ITC DataΔG°: -11.6kcal/mole −TΔS°: -0.214kcal/mole ΔH°: -11.3kcal/mole
pH: 7.8 T: 25.00°C 
CellThrombin(Homo sapiens (Human))
Philipps University Marburg

SyringePNGBDBM32657(benzamidine- based compound, 6)
ITC DataΔG°: -11.3kcal/mole −TΔS°: -0.812kcal/mole ΔH°: -10.5kcal/mole
pH: 7.8 T: 25.00°C 
CellThrombin(Homo sapiens (Human))
Philipps University Marburg

SyringePNGBDBM32657(benzamidine- based compound, 6)
ITC DataΔG°: -12.5kcal/mole −TΔS°: -1.64kcal/mole ΔH°: -10.8kcal/mole
pH: 7.8 T: 25.00°C 
CellThrombin(Homo sapiens (Human))
Philipps University Marburg

SyringePNGBDBM32657(benzamidine- based compound, 6)
ITC DataΔG°: -11.1kcal/mole −TΔS°: -1.36kcal/mole ΔH°: -9.74kcal/mole
pH: 7.8 T: 25.00°C