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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM13828'   
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))
BDBM13828
PNG
(2,2,2-trifluoroacetate; 4-[1-({1-[(3-carbamimidoyl...)
Show SMILES COc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NC(C)c1cc[n+](C)cc1
Show InChI InChI=1S/C26H27N5O2/c1-17(19-10-12-30(2)13-11-19)29-26(32)23-15-21-22(8-5-9-24(21)33-3)31(23)16-18-6-4-7-20(14-18)25(27)28/h4-15,17H,16H2,1-3H3,(H3-,27,28,29,32)/p+1
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
160 -38.8n/an/an/an/an/a7.825



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