BindingDB logo
myBDB logout

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.

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 = 32655   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prothrombin


(Homo sapiens (Human))
BDBM32655
PNG
(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
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
180 -9.19n/an/an/an/an/a7.425



Philipps University Marburg



Assay Description
Kinetic inhibition of human thrombin was determined photometrically at 405 nm using the chromogenic substrate Pefachrom tPa. Reactions were performed...


J Mol Biol 391: 552-64 (2009)


Article DOI: 10.1016/j.jmb.2009.06.016
BindingDB Entry DOI: 10.7270/Q2RV0M1Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 32655
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
Thrombin

(Homo sapiens (Human))
BDBM32655
JPEG
(benzamidine- based compound, 4)
GoogleScholar
PDB
PC cid
PC sid
PDB
-9.58-0.335-9.24n/a7.8025



Philipps University Marburg





J Mol Biol 391: 552-64 (2009)