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SMILES: NC(=N)c1cccc(CNC(=O)c2cc3cc(OCc4ccccc4)ccc3n2Cc2cccc(c2)C(N)=N)c1

InChI Key: InChIKey=DMUWRNDTNGVXSO-UHFFFAOYSA-N

PDB links: 2 PDB IDs contain 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 = 13868   
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))
BDBM13868
PNG
(3-amidinobenzylindole carboxamide 52 | 5-(benzylox...)
Show SMILES NC(=N)c1cccc(CNC(=O)c2cc3cc(OCc4ccccc4)ccc3n2Cc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C32H30N6O2/c33-30(34)24-10-4-8-22(14-24)18-37-32(39)29-17-26-16-27(40-20-21-6-2-1-3-7-21)12-13-28(26)38(29)19-23-9-5-11-25(15-23)31(35)36/h1-17H,18-20H2,(H3,33,34)(H3,35,36)(H,37,39)
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MMDB

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Article
PubMed
133n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair