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BDBM32656 benzamidine- based compound, 5

SMILES: N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)NCc1ccc(cc1)C(N)=N

InChI Key: InChIKey=VZFTWWJAUZOJDH-MRTLOADZSA-N

Data: 1 KI  4 ITC

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 32656   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prothrombin


(Homo sapiens (Human))
BDBM32656
PNG
(benzamidine- based compound, 5)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C22H27N5O2/c23-18(13-15-5-2-1-3-6-15)22(29)27-12-4-7-19(27)21(28)26-14-16-8-10-17(11-9-16)20(24)25/h1-3,5-6,8-11,18-19H,4,7,12-14,23H2,(H3,24,25)(H,26,28)/t18-,19?/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
4 -11.4n/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)

More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 4 hits for monomerid = 32656
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))
BDBM32656
JPEG
(benzamidine- based compound, 5)
GoogleScholar
PDB
PC cid
PC sid
-11.0-1.46-9.58n/a7.8025



Philipps-University Marburg





J Mol Biol 391: 552-64 (2009)

Thrombin

(Homo sapiens (Human))
BDBM32656
JPEG
(benzamidine- based compound, 5)
GoogleScholar
PDB
PC cid
PC sid
-10.6-0.954-9.67n/a7.8025



Philipps-University Marburg





J Mol Biol 391: 552-64 (2009)

Thrombin

(Homo sapiens (Human))
BDBM32656
JPEG
(benzamidine- based compound, 5)
GoogleScholar
PDB
PC cid
PC sid
-11.0-1.69-9.34n/a7.8025



Philipps-University Marburg





J Mol Biol 391: 552-64 (2009)

Thrombin

(Homo sapiens (Human))
BDBM32656
JPEG
(benzamidine- based compound, 5)
GoogleScholar
PDB
PC cid
PC sid
-10.50.192-10.7n/a7.8025



Philipps-University Marburg





J Mol Biol 391: 552-64 (2009)