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BDBM50147800 2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-N-(2-tetrazol-1-yl-benzyl)-acetamide::CHEMBL322696

SMILES: FC(F)(CNc1nccn(CC(=O)NCc2ccccc2-n2cnnn2)c1=O)c1ccccn1

InChI Key: InChIKey=BTYUOAOPWXAIHG-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50147800   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Prothrombin


(Homo sapiens (Human))		BDBM50147800
PNG
(2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-2-ox...)
Show SMILES FC(F)(CNc1nccn(CC(=O)NCc2ccccc2-n2cnnn2)c1=O)c1ccccn1
Show InChI InChI=1S/C21H19F2N9O2/c22-21(23,17-7-3-4-8-24-17)13-27-19-20(34)31(10-9-25-19)12-18(33)26-11-15-5-1-2-6-16(15)32-14-28-29-30-32/h1-10,14H,11-13H2,(H,25,27)(H,26,33)
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Article
PubMed
 2.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory potency against human thrombin

J Med Chem 47: 2995-3008 (2004)


Article DOI: 10.1021/jm030303e
BindingDB Entry DOI: 10.7270/Q270826B
More data for this
Ligand-Target Pair