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BDBM13899 2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylphenyl)methyl]-5-nitro-1H-indol-2-yl}formamido)methyl]-N,N,N-trimethylanilinium::3-amidinobenzylindole carboxamide 84

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

InChI Key: InChIKey=UNBRJUFLVAWRRR-UHFFFAOYSA-O

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 13899   
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))
BDBM13899
PNG
(2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...)
Show SMILES C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(ccc3n2Cc2cccc(c2)C(N)=N)[N+]([O-])=O)cc1
Show InChI InChI=1S/C27H28N6O3/c1-33(2,3)23-10-7-18(8-11-23)16-30-27(34)25-15-21-14-22(32(35)36)9-12-24(21)31(25)17-19-5-4-6-20(13-19)26(28)29/h4-15H,16-17H2,1-3H3,(H3-,28,29,30,34)/p+1
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MMDB

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PC cid
PC sid
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PubMed
144n/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