BDBM32655 benzamidine- based compound, 4

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

InChI Key InChIKey=YHAMQFKGUUSJMU-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
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 32655   

TargetProthrombin(Homo sapiens (Human))
Philipps University Marburg

LigandPNGBDBM32655(benzamidine- based compound, 4)
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

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 32655   

CellThrombin(Homo sapiens (Human))
Philipps University Marburg

SyringePNGBDBM32655(benzamidine- based compound, 4)
ITC DataΔG°: -9.58kcal/mole −TΔS°: -0.335kcal/mole ΔH°: -9.24kcal/mole
pH: 7.8 T: 25.00°C