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PubMed code 10508439

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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))
BDBM50081365
PNG
(3-(5-{3-[(Z)-amino(imino)methyl]phenoxy}-2,4-diflu...)
Show SMILES Cc1c(F)c(Oc2cccc(c2)C(N)=N)cc(Oc2cccc(c2)C(N)=N)c1F
Show InChI InChI=1S/C21H18F2N4O2/c1-11-18(22)16(28-14-6-2-4-12(8-14)20(24)25)10-17(19(11)23)29-15-7-3-5-13(9-15)21(26)27/h2-10H,1H3,(H3,24,25)(H3,26,27)
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PubMed
12n/an/an/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against Coagulation factor Xa (factor Xa)


J Med Chem 42: 3910-8 (1999)


BindingDB Entry DOI: 10.7270/Q2X63M5W
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50081365
PNG
(3-(5-{3-[(Z)-amino(imino)methyl]phenoxy}-2,4-diflu...)
Show SMILES Cc1c(F)c(Oc2cccc(c2)C(N)=N)cc(Oc2cccc(c2)C(N)=N)c1F
Show InChI InChI=1S/C21H18F2N4O2/c1-11-18(22)16(28-14-6-2-4-12(8-14)20(24)25)10-17(19(11)23)29-15-7-3-5-13(9-15)21(26)27/h2-10H,1H3,(H3,24,25)(H3,26,27)
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PubMed
740n/an/an/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against trypsin


J Med Chem 42: 3910-8 (1999)


BindingDB Entry DOI: 10.7270/Q2X63M5W
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50081364
PNG
(3-[5-(3-Aminomethyl-phenoxy)-2,4-difluoro-3-methyl...)
Show SMILES Cc1c(F)c(Oc2cccc(CN)c2)cc(Oc2cccc(c2)C(N)=N)c1F
Show InChI InChI=1S/C21H19F2N3O2/c1-12-19(22)17(27-15-6-2-4-13(8-15)11-24)10-18(20(12)23)28-16-7-3-5-14(9-16)21(25)26/h2-10H,11,24H2,1H3,(H3,25,26)
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PubMed
1.40E+3n/an/an/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against Coagulation factor Xa (factor Xa)


J Med Chem 42: 3910-8 (1999)


BindingDB Entry DOI: 10.7270/Q2X63M5W
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50081364
PNG
(3-[5-(3-Aminomethyl-phenoxy)-2,4-difluoro-3-methyl...)
Show SMILES Cc1c(F)c(Oc2cccc(CN)c2)cc(Oc2cccc(c2)C(N)=N)c1F
Show InChI InChI=1S/C21H19F2N3O2/c1-12-19(22)17(27-15-6-2-4-13(8-15)11-24)10-18(20(12)23)28-16-7-3-5-14(9-16)21(25)26/h2-10H,11,24H2,1H3,(H3,25,26)
PDB
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PubMed
2.90E+3n/an/an/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against trypsin


J Med Chem 42: 3910-8 (1999)


BindingDB Entry DOI: 10.7270/Q2X63M5W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%