BDBM32652 m-chlorobenzylamide, 1

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


Data  1 KI  1 ITC

PDB links: 1 PDB ID matches this monomer.

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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)
Show SMILES CC[C@@H](N)C(=O)N1CCCC1C(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C16H22ClN3O2/c1-2-13(18)16(22)20-8-4-7-14(20)15(21)19-10-11-5-3-6-12(17)9-11/h3,5-6,9,13-14H,2,4,7-8,10,18H2,1H3,(H,19,21)/t13-,14?/m1/s1
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