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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 = 'BDBM50118798'   
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))
BDBM50118798
PNG
((+/-)-CS Sulfuric acid mono-[2-(3,4-bis-sulfooxy -...)
Show SMILES [O-]S(=O)(=O)O[C@@H]1Cc2c(OS([O-])(=O)=O)cc(OS([O-])(=O)=O)cc2O[C@H]1c1ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c1
Show InChI InChI=1S/C15H14O21S5/c16-37(17,18)32-8-4-11-9(12(5-8)34-39(22,23)24)6-14(36-41(28,29)30)15(31-11)7-1-2-10(33-38(19,20)21)13(3-7)35-40(25,26)27/h1-5,14-15H,6H2,(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)/p-5/t14-,15+/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 3.50E+3n/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant of factor Xa inhibition


Bioorg Med Chem Lett 13: 679-83 (2003)


BindingDB Entry DOI: 10.7270/Q20865VX
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50118798
PNG
((+/-)-CS Sulfuric acid mono-[2-(3,4-bis-sulfooxy -...)
Show SMILES [O-]S(=O)(=O)O[C@@H]1Cc2c(OS([O-])(=O)=O)cc(OS([O-])(=O)=O)cc2O[C@H]1c1ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c1
Show InChI InChI=1S/C15H14O21S5/c16-37(17,18)32-8-4-11-9(12(5-8)34-39(22,23)24)6-14(36-41(28,29)30)15(31-11)7-1-2-10(33-38(19,20)21)13(3-7)35-40(25,26)27/h1-5,14-15H,6H2,(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)/p-5/t14-,15+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 2.61E+4n/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant of factor Xa inhibition


Bioorg Med Chem Lett 13: 679-83 (2003)


BindingDB Entry DOI: 10.7270/Q20865VX
More data for this
Ligand-Target Pair