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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50398079'   
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
Prothrombin


(Homo sapiens (Human))		BDBM50398079
PNG
(CHEMBL2182018)
Show SMILES CCCCNC(=O)CC[Si]([C@H](CC(C)C)NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)[C@@H](C)CC)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C42H55N3O3Si/c1-6-8-26-43-38(46)25-27-49(36-19-11-9-12-20-36,37-21-13-10-14-22-37)40(28-31(3)4)45-42(48)41(32(5)7-2)44-39(47)30-33-23-24-34-17-15-16-18-35(34)29-33/h9-24,29,31-32,40-41H,6-8,25-28,30H2,1-5H3,(H,43,46)(H,44,47)(H,45,48)/t32-,40+,41-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.20E+4n/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Inhibition of thrombin assessed as hydrolysis of H-D-Pro-L-Phe-L-Arg-p-nitroanilide incubated for 2 hrs measured for 20 mins by microplate reader ana...

J Med Chem 55: 7900-8 (2012)


Article DOI: 10.1021/jm301000k
BindingDB Entry DOI: 10.7270/Q2B27WD6
More data for this
Ligand-Target Pair