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BDBM13831 2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylphenyl)methyl]-1H-indol-2-yl}formamido)methyl]-1-methylpyridin-1-ium::3-amidinobenzylindole carboxamide 15

SMILES: C[n+]1ccc(CNC(=O)c2cc3ccccc3n2Cc2cccc(c2)C(N)=N)cc1

InChI Key: InChIKey=MSFXCQBITWOFFJ-UHFFFAOYSA-O

Data: 1 KI

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 13831   
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))
BDBM13831
PNG
(2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...)
Show SMILES C[n+]1ccc(CNC(=O)c2cc3ccccc3n2Cc2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C24H23N5O/c1-28-11-9-17(10-12-28)15-27-24(30)22-14-19-6-2-3-8-21(19)29(22)16-18-5-4-7-20(13-18)23(25)26/h2-14H,15-16H2,1H3,(H3-,25,26,27,30)/p+1
PDB
MMDB

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150n/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