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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50125034'   
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))		BDBM50125034
PNG
(2-[(R)-3-(3-Guanidino-propyl)-2,5-dioxo-piperazin-...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)CN1CC(=O)N[C@H](CCCNC(N)=N)C1=O)C(=O)c1nccs1
Show InChI InChI=1S/C19H30N10O4S/c20-18(21)25-5-1-3-11(15(32)16-24-7-8-34-16)27-13(30)9-29-10-14(31)28-12(17(29)33)4-2-6-26-19(22)23/h7-8,11-12H,1-6,9-10H2,(H,27,30)(H,28,31)(H4,20,21,25)(H4,22,23,26)/t11-,12+/m0/s1
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PubMed
n/an/a 2.00E+5n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against serine protease thrombin

Bioorg Med Chem Lett 13: 729-32 (2003)


BindingDB Entry DOI: 10.7270/Q2T72GTS
More data for this
Ligand-Target Pair