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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50257760'   
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))		BDBM50257760
PNG
(3-amino-N-(3-(N-((2S)-3-(3-carbamimidoylphenyl)-1-...)
Show SMILES CC1CCCCN1C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r|
Show InChI InChI=1S/C25H34N6O4S/c1-17-6-2-3-13-31(17)25(33)22(15-18-7-4-8-19(14-18)24(27)28)30-36(34,35)21-10-5-9-20(16-21)29-23(32)11-12-26/h4-5,7-10,14,16-17,22,30H,2-3,6,11-13,15,26H2,1H3,(H3,27,28)(H,29,32)/t17?,22-/m0/s1
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Similars
Article
PubMed
 395n/an/an/an/an/an/an/an/a



The Medicines Company (Leipzig) GmbH

Curated by ChEMBL


Assay Description
Inhibition of thrombin (unknown origin)

Bioorg Med Chem Lett 19: 1960-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681
More data for this
Ligand-Target Pair