BDBM32653 m-chlorobenzylamide, 2

SMILES N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)NCc1cccc(Cl)c1

InChI Key InChIKey=CJHLRGCXPGIPCB-MRTLOADZSA-N

Data  2 KI  1 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 2 hits for monomerid = 32653   

TargetProthrombin(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM32653(m-chlorobenzylamide, 2)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C21H24ClN3O2/c22-17-9-4-8-16(12-17)14-24-20(26)19-10-5-11-25(19)21(27)18(23)13-15-6-2-1-3-7-15/h1-4,6-9,12,18-19H,5,10-11,13-14,23H2,(H,24,26)/t18-,19?/m1/s1
Affinity DataKi:  180nMAssay Description:Inhibition of human thrombin using pefachrom tPa as substrate after 3 mins by photometric methodMore data for this Ligand-Target Pair
TargetProthrombin(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM32653(m-chlorobenzylamide, 2)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C21H24ClN3O2/c22-17-9-4-8-16(12-17)14-24-20(26)19-10-5-11-25(19)21(27)18(23)13-15-6-2-1-3-7-15/h1-4,6-9,12,18-19H,5,10-11,13-14,23H2,(H,24,26)/t18-,19?/m1/s1
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 = 32653   

CellThrombin(Homo sapiens (Human))
Philipps University Marburg

SyringePNGBDBM32653(m-chlorobenzylamide, 2)
ITC DataΔG°: -8.46kcal/mole −TΔS°: 0.406kcal/mole ΔH°: -8.86kcal/mole
pH: 7.8 T: 25.00°C