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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50035155'   
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))		BDBM50035155
PNG
(CHEMBL3354239)
Show SMILES CC(C)N1CCC(CC1)C(=O)Nc1c(O)cc(Br)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C21H24BrClN4O3/c1-12(2)27-7-5-13(6-8-27)20(29)26-19-16(9-14(22)10-17(19)28)21(30)25-18-4-3-15(23)11-24-18/h3-4,9-13,28H,5-8H2,1-2H3,(H,26,29)(H,24,25,30)
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of purified thrombin (unknown origin) using chromogenic substrate S-2238 by spectrophotometry

Bioorg Med Chem 22: 6324-32 (2014)


Article DOI: 10.1016/j.bmc.2014.09.059
BindingDB Entry DOI: 10.7270/Q23X888S
More data for this
Ligand-Target Pair