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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor V' and Ligand = 'BDBM50376417'   
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 V


(Homo sapiens (Human))
BDBM50376417
PNG
(CHEMBL261865)
Show SMILES [O-][N+](=O)c1ccc(COc2ccc(Cl)cc2C=C2C(=O)NC(=O)N(C2=O)c2ccccc2F)cc1 |w:16.16|
Show InChI InChI=1S/C24H15ClFN3O6/c25-16-7-10-21(35-13-14-5-8-17(9-6-14)29(33)34)15(11-16)12-18-22(30)27-24(32)28(23(18)31)20-4-2-1-3-19(20)26/h1-12H,13H2,(H,27,30,32)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.41E+4n/an/an/an/an/an/a



Maastricht University

Curated by ChEMBL


Assay Description
Inhibition of human factor 5a light chain binding to immobilized phospholipid by surface plasmon resonance assay


Proc Natl Acad Sci USA 104: 12697-702 (2007)


Article DOI: 10.1073/pnas.0701051104
BindingDB Entry DOI: 10.7270/Q2F190MG
More data for this
Ligand-Target Pair
Coagulation factor V


(Homo sapiens (Human))
BDBM50376417
PNG
(CHEMBL261865)
Show SMILES [O-][N+](=O)c1ccc(COc2ccc(Cl)cc2C=C2C(=O)NC(=O)N(C2=O)c2ccccc2F)cc1 |w:16.16|
Show InChI InChI=1S/C24H15ClFN3O6/c25-16-7-10-21(35-13-14-5-8-17(9-6-14)29(33)34)15(11-16)12-18-22(30)27-24(32)28(23(18)31)20-4-2-1-3-19(20)26/h1-12H,13H2,(H,27,30,32)
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PubMed
n/an/a 2.19E+4n/an/an/an/an/an/a



Maastricht University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 5a C2 domain binding to immobilized phospholipid by surface plasmon resonance assay


Proc Natl Acad Sci USA 104: 12697-702 (2007)


Article DOI: 10.1073/pnas.0701051104
BindingDB Entry DOI: 10.7270/Q2F190MG
More data for this
Ligand-Target Pair
Coagulation factor V


(Homo sapiens (Human))
BDBM50376417
PNG
(CHEMBL261865)
Show SMILES [O-][N+](=O)c1ccc(COc2ccc(Cl)cc2C=C2C(=O)NC(=O)N(C2=O)c2ccccc2F)cc1 |w:16.16|
Show InChI InChI=1S/C24H15ClFN3O6/c25-16-7-10-21(35-13-14-5-8-17(9-6-14)29(33)34)15(11-16)12-18-22(30)27-24(32)28(23(18)31)20-4-2-1-3-19(20)26/h1-12H,13H2,(H,27,30,32)
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.81E+4n/an/an/an/an/an/a



Maastricht University

Curated by ChEMBL


Assay Description
Inhibition of factor 5a-mediated prothrombin activation in human plasma by prothrombinase assay


Proc Natl Acad Sci USA 104: 12697-702 (2007)


Article DOI: 10.1073/pnas.0701051104
BindingDB Entry DOI: 10.7270/Q2F190MG
More data for this
Ligand-Target Pair