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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thrombin and coagulation factor X' and Ligand = 'BDBM50349614'   
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))
BDBM50349614
PNG
(CHEMBL1808954)
Show SMILES CCOC(=O)C(=O)N(Cc1cc(F)cc(F)c1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1
Show InChI InChI=1S/C29H30F2N4O5/c1-4-38-28(37)27(36)35(15-18-11-20(30)13-21(31)12-18)22-7-10-25-24(14-22)34(3)16-29(2,40-25)17-39-23-8-5-19(6-9-23)26(32)33/h5-14H,4,15-17H2,1-3H3,(H3,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
290n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry


Eur J Med Chem 50: 255-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.059
BindingDB Entry DOI: 10.7270/Q2KK9C7V
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50349614
PNG
(CHEMBL1808954)
Show SMILES CCOC(=O)C(=O)N(Cc1cc(F)cc(F)c1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1
Show InChI InChI=1S/C29H30F2N4O5/c1-4-38-28(37)27(36)35(15-18-11-20(30)13-21(31)12-18)22-7-10-25-24(14-22)34(3)16-29(2,40-25)17-39-23-8-5-19(6-9-23)26(32)33/h5-14H,4,15-17H2,1-3H3,(H3,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
290n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2238 as substrate after 15 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 4705-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.089
BindingDB Entry DOI: 10.7270/Q2445MTB
More data for this
Ligand-Target Pair