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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50422369'   
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))		BDBM50422369
PNG
(CHEMBL114124)
Show SMILES COc1ccc(C)cc1S(=O)(=O)Oc1cccc(OCCc2ccc(C(N)=N)c(O)c2)c1
Show InChI InChI=1S/C23H24N2O6S/c1-15-6-9-21(29-2)22(12-15)32(27,28)31-18-5-3-4-17(14-18)30-11-10-16-7-8-19(23(24)25)20(26)13-16/h3-9,12-14,26H,10-11H2,1-2H3,(H3,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 575n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin

J Med Chem 44: 3424-39 (2001)


BindingDB Entry DOI: 10.7270/Q2D21ZWN
More data for this
Ligand-Target Pair