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SMILES: C[N+](C)(CC#C)c1ccc(CNC(=O)c2cc3cc(F)ccc3n2Cc2cccc(c2)C(N)=N)cc1

InChI Key: InChIKey=OHUYGBZNHVTIOY-UHFFFAOYSA-O

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 13890   
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
Coagulation factor X


(Homo sapiens (Human))		BDBM13890
PNG
(2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...)
Show SMILES C[N+](C)(CC#C)c1ccc(CNC(=O)c2cc3cc(F)ccc3n2Cc2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C29H28FN5O/c1-4-14-35(2,3)25-11-8-20(9-12-25)18-33-29(36)27-17-23-16-24(30)10-13-26(23)34(27)19-21-6-5-7-22(15-21)28(31)32/h1,5-13,15-17H,14,18-19H2,2-3H3,(H3-,31,32,33,36)/p+1
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Article
PubMed
 76n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...

J Med Chem 45: 2749-69 (2002)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair