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BDBM50312662 1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2-(1-naphthalene)ethyl]aminopyrazinone::CHEMBL1087037

SMILES: [#6]-c1cnc(-[#7]-[#6]-[#6]-c2cccc3ccccc23)c(=O)n1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7]

InChI Key: InChIKey=PALUIMPWPYLQAY-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50312662   
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))		BDBM50312662
PNG
(1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...)
Show SMILES [#6]-c1cnc(-[#7]-[#6]-[#6]-c2cccc3ccccc23)c(=O)n1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C22H27N7O3/c1-15-13-27-20(21(31)29(15)14-19(30)25-11-12-32-28-22(23)24)26-10-9-17-7-4-6-16-5-2-3-8-18(16)17/h2-8,13H,9-12,14H2,1H3,(H,25,30)(H,26,27)(H4,23,24,28)
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Article
PubMed
 12n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human alpha-thrombin

J Med Chem 53: 1843-56 (2010)


Article DOI: 10.1021/jm901802n
BindingDB Entry DOI: 10.7270/Q22807Q9
More data for this
Ligand-Target Pair