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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 = 'BDBM13843'   
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))
BDBM13843
PNG
(1-[(3-carbamimidoylphenyl)methyl]-N-[2-(3-chloroph...)
Show SMILES NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCCc2cccc(Cl)c2)c1
Show InChI InChI=1S/C25H23ClN4O2/c26-19-7-2-4-16(13-19)10-11-29-25(32)22-14-20-21(8-3-9-23(20)31)30(22)15-17-5-1-6-18(12-17)24(27)28/h1-9,12-14,31H,10-11,15H2,(H3,27,28)(H,29,32)
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PC cid
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PubMed
707n/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
Coagulation factor X


(Homo sapiens (Human))
BDBM13843
PNG
(1-[(3-carbamimidoylphenyl)methyl]-N-[2-(3-chloroph...)
Show SMILES NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCCc2cccc(Cl)c2)c1
Show InChI InChI=1S/C25H23ClN4O2/c26-19-7-2-4-16(13-19)10-11-29-25(32)22-14-20-21(8-3-9-23(20)31)30(22)15-17-5-1-6-18(12-17)24(27)28/h1-9,12-14,31H,10-11,15H2,(H3,27,28)(H,29,32)
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PC sid
UniChem

Similars

Article
PubMed
707n/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