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SMILES: [#6]-[#8]-c1ccc(-[#6]-[#6]-[#7]-c2ncc(-[#6])n(-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7])c2=O)cc1

InChI Key: InChIKey=NSWQVUKIJGGGKF-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50312658   
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))		BDBM50312658
PNG
(1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...)
Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#6]-[#7]-c2ncc(-[#6])n(-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7])c2=O)cc1
Show InChI InChI=1S/C19H27N7O4/c1-13-11-24-17(23-8-7-14-3-5-15(29-2)6-4-14)18(28)26(13)12-16(27)22-9-10-30-25-19(20)21/h3-6,11H,7-10,12H2,1-2H3,(H,22,27)(H,23,24)(H4,20,21,25)
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Article
PubMed
 11n/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