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BDBM13890 2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylphenyl)methyl]-5-fluoro-1H-indol-2-yl}formamido)methyl]-N,N-dimethyl-N-(prop-2-yn-1-yl)anilinium::3-amidinobenzylindole carboxamide 75

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

InChI Key: InChIKey=OHUYGBZNHVTIOY-UHFFFAOYSA-O

Data: 1 KI

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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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MMDB

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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)


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