new BindingDB logo
myBDB logout

BDBM13834 2,2,2-trifluoroacetate; 4-[(1S)-1-({1-[(3-carbamimidoylphenyl)methyl]-1H-indol-2-yl}formamido)ethyl]-1-methylpyridin-1-ium::3-amidinobenzylindole carboxamide 18

SMILES: C[C@H](NC(=O)c1cc2ccccc2n1Cc1cccc(c1)C(N)=N)c1cc[n+](C)cc1

InChI Key: InChIKey=AKXZAAVWDZSLLA-KRWDZBQOSA-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 = 13834   
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))
BDBM13834
PNG
(2,2,2-trifluoroacetate; 4-[(1S)-1-({1-[(3-carbamim...)
Show SMILES C[C@H](NC(=O)c1cc2ccccc2n1Cc1cccc(c1)C(N)=N)c1cc[n+](C)cc1 |r|
Show InChI InChI=1S/C25H25N5O/c1-17(19-10-12-29(2)13-11-19)28-25(31)23-15-20-7-3-4-9-22(20)30(23)16-18-6-5-8-21(14-18)24(26)27/h3-15,17H,16H2,1-2H3,(H3-,26,27,28,31)/p+1/t17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
92n/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