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BDBM50404451 CHEMBL280837

SMILES: CCCCN(CC(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2ccccc2c1

InChI Key: InChIKey=KETUIFDBIVHUIK-UHFFFAOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50404451   
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
Thrombin


(Bos taurus (Bovine))
BDBM50404451
PNG
(CHEMBL280837)
Show SMILES CCCCN(CC(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1/C22H31N5O5S/c1-2-3-13-27(15-20(28)29)21(30)19(9-6-12-25-22(23)24)26-33(31,32)18-11-10-16-7-4-5-8-17(16)14-18/h4-5,7-8,10-11,14,19,26H,2-3,6,9,12-13,15H2,1H3,(H,28,29)(H4,23,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombin


J Med Chem 23: 1293-9 (1981)


Article DOI: 10.1021/jm00186a003
BindingDB Entry DOI: 10.7270/Q2GQ6ZX5
More data for this
Ligand-Target Pair