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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM13865'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor X


(Homo sapiens (Human))
BDBM13865
PNG
(3-amidinobenzylindole carboxamide 49 | 5-amino-N,1...)
Show SMILES NC(=N)c1cccc(CNC(=O)c2cc3cc(N)ccc3n2Cc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C25H25N7O/c26-20-7-8-21-19(11-20)12-22(32(21)14-16-4-2-6-18(10-16)24(29)30)25(33)31-13-15-3-1-5-17(9-15)23(27)28/h1-12H,13-14,26H2,(H3,27,28)(H3,29,30)(H,31,33)
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51n/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
Coagulation factor X


(Homo sapiens (Human))
BDBM13865
PNG
(3-amidinobenzylindole carboxamide 49 | 5-amino-N,1...)
Show SMILES NC(=N)c1cccc(CNC(=O)c2cc3cc(N)ccc3n2Cc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C25H25N7O/c26-20-7-8-21-19(11-20)12-22(32(21)14-16-4-2-6-18(10-16)24(29)30)25(33)31-13-15-3-1-5-17(9-15)23(27)28/h1-12H,13-14,26H2,(H3,27,28)(H3,29,30)(H,31,33)
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DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
84n/an/an/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease factor Xa (fXa) was determined


Bioorg Med Chem Lett 11: 227-30 (2001)


BindingDB Entry DOI: 10.7270/Q2KD1X68
More data for this
Ligand-Target Pair