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BDBM13838 2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-1H-indol-2-yl}formamido)methyl]-1-methylquinolin-1-ium::3-amidinobenzylindole carboxamide 22

SMILES: C[n+]1ccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)c2ccccc12

InChI Key: InChIKey=AMTBWKFXQOILDC-UHFFFAOYSA-O

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 13838   
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))
BDBM13838
PNG
(2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...)
Show SMILES C[n+]1ccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)c2ccccc12
Show InChI InChI=1S/C28H25N5O2/c1-32-13-12-20(21-8-2-3-9-23(21)32)16-31-28(35)25-15-22-24(10-5-11-26(22)34)33(25)17-18-6-4-7-19(14-18)27(29)30/h2-15H,16-17H2,1H3,(H4-,29,30,31,34,35)/p+1
PDB
MMDB

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50n/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