BDBM32659 m-chlorobenzylamide, 8

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

InChI Key InChIKey=NEBILTDHZWSWJN-VQCQRNETSA-N

Data  1 KI  3 ITC

PDB links: 1 PDB ID matches this monomer.

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 = 32659   

TargetProthrombin(Homo sapiens (Human))
Philipps University Marburg

LigandPNGBDBM32659(m-chlorobenzylamide, 8)
Show SMILES CC(=O)N[C@H](CC1CCCCC1)C(=O)N1CCCC1C(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C23H32ClN3O3/c1-16(28)26-20(14-17-7-3-2-4-8-17)23(30)27-12-6-11-21(27)22(29)25-15-18-9-5-10-19(24)13-18/h5,9-10,13,17,20-21H,2-4,6-8,11-12,14-15H2,1H3,(H,25,29)(H,26,28)/t20-,21?/m1/s1
Affinity DataKi:  8.70E+3nM ΔG°:  -6.90kcal/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 3 hits for monomerid = 32659   

CellThrombin(Homo sapiens (Human))
Philipps University Marburg

SyringePNGBDBM32659(m-chlorobenzylamide, 8)
ITC DataΔG°: -7.79kcal/mole −TΔS°: -0.862kcal/mole ΔH°: -6.93kcal/mole
pH: 7.8 T: 25.00°C 
CellThrombin(Homo sapiens (Human))
Philipps University Marburg

SyringePNGBDBM32659(m-chlorobenzylamide, 8)
ITC DataΔG°: -7.91kcal/mole −TΔS°: -3.72kcal/mole ΔH°: -4.16kcal/mole
pH: 7.8 T: 25.00°C 
CellThrombin(Homo sapiens (Human))
Philipps University Marburg

SyringePNGBDBM32659(m-chlorobenzylamide, 8)
ITC DataΔG°: -7.83kcal/mole −TΔS°: -4.42kcal/mole ΔH°: -3.42kcal/mole
pH: 7.8 T: 25.00°C