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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50289436'   
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))		BDBM50289436
PNG
((S)-2-((R)-2-Acetylamino-3-phenyl-propionylamino)-...)
Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C37H39N7O5/c1-23(45)41-30(21-24-11-3-2-4-12-24)34(47)43-31(22-26-15-9-14-25-13-5-6-16-27(25)26)35(48)42-29(18-10-20-40-37(38)39)33(46)36-44-28-17-7-8-19-32(28)49-36/h2-9,11-17,19,29-31H,10,18,20-22H2,1H3,(H,41,45)(H,42,48)(H,43,47)(H4,38,39,40)/t29-,30+,31-/m0/s1
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Similars
Article
n/an/a>2.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against thrombin(FIIa).

Bioorg Med Chem Lett 7: 1359-1364 (1997)


Article DOI: 10.1016/S0960-894X(97)00227-8
BindingDB Entry DOI: 10.7270/Q2542NM7
More data for this
Ligand-Target Pair