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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 = 'BDBM50069172'   
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))
BDBM50069172
PNG
(Boronate Ester analogue | CHEMBL423259)
Show SMILES CN(CC(=O)N[C@@H](CCCSC(N)=N)B(O)O)C(=O)CCc1ccccc1
Show InChI InChI=1S/C17H27BN4O4S/c1-22(16(24)10-9-13-6-3-2-4-7-13)12-15(23)21-14(18(25)26)8-5-11-27-17(19)20/h2-4,6-7,14,25-26H,5,8-12H2,1H3,(H3,19,20)(H,21,23)/t14-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.300n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition against human thrombin


Bioorg Med Chem Lett 8: 775-80 (1999)


BindingDB Entry DOI: 10.7270/Q2P84B1P
More data for this
Ligand-Target Pair