BDBM32655 benzamidine- based compound, 4

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


Data  1 KI  1 ITC

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB:
Similarity at least:  must be >=0.5
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)
Show SMILES CC[C@@H](N)C(=O)N1CCCC1C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C17H25N5O2/c1-2-13(18)17(24)22-9-3-4-14(22)16(23)21-10-11-5-7-12(8-6-11)15(19)20/h5-8,13-14H,2-4,9-10,18H2,1H3,(H3,19,20)(H,21,23)/t13-,14?/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 = 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