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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin and coagulation factor X' and Ligand = 'BDBM50069931'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50069931
PNG
(Boropeptide analogue | CHEMBL105212)
Show SMILES CC(C)(CN(CC(=O)NC(CCCCN)B(O)O)C(=O)CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H38BN3O4/c1-26(2,22-13-7-4-8-14-22)20-30(25(32)17-16-21-11-5-3-6-12-21)19-24(31)29-23(27(33)34)15-9-10-18-28/h3-8,11-14,23,33-34H,9-10,15-20,28H2,1-2H3,(H,29,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.360n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin was tested.


Bioorg Med Chem Lett 8: 301-6 (1999)


BindingDB Entry DOI: 10.7270/Q2542MRM
More data for this
Ligand-Target Pair