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Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with all data for entry = 50014089   
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 XI


(Homo sapiens (Human))
BDBM50063581
PNG
(CHEMBL3398612)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c(Cl)[nH]1)-c1ccc2c(N)n[nH]c2c1 |r,wU:5.8,wD:2.1,11.11,(25.62,-40.59,;26.39,-39.26,;27.93,-39.26,;28.7,-40.59,;30.24,-40.59,;31.01,-39.26,;30.24,-37.93,;28.7,-37.93,;32.55,-39.26,;33.32,-40.59,;33.32,-37.93,;34.86,-37.93,;35.63,-39.26,;37.17,-39.26,;37.94,-37.93,;39.48,-37.93,;40.25,-39.26,;39.48,-40.59,;37.94,-40.59,;35.63,-36.59,;35.01,-35.19,;36.14,-34.15,;37.48,-34.93,;38.89,-34.3,;37.16,-36.43,;35.98,-32.62,;37.23,-31.72,;37.07,-30.19,;35.66,-29.56,;35.19,-28.09,;36.09,-26.85,;33.65,-28.09,;33.17,-29.56,;34.42,-30.47,;34.58,-32,)|
Show InChI InChI=1S/C26H28ClN7O/c27-23-22(18-10-11-19-20(13-18)33-34-24(19)29)31-25(32-23)21(12-15-4-2-1-3-5-15)30-26(35)17-8-6-16(14-28)7-9-17/h1-5,10-11,13,16-17,21H,6-9,12,14,28-29H2,(H,30,35)/b22-18-/t16-,17-,21-/m0/s1
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Article
PubMed
1.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50572517
PNG
(CHEMBL4865339)
Show SMILES CC1CC1C(=O)Nc1ccc(C[C@H](NC(=O)c2c(C)nc(-c3cccc(Cl)c3F)n2O)C(=O)Nc2ccc3[nH]c(cc3c2)C(O)=O)cc1 |r|
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9n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50572518
PNG
(CHEMBL4849470)
Show SMILES Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(NC(=O)C2CCC2)cc1)C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O |r|
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23n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50572513
PNG
(CHEMBL4862896)
Show SMILES CC(C)CC(=O)Nc1ccc(C[C@H](NC(=O)c2c(C)nc(-c3cccc(Cl)c3F)n2O)C(=O)Nc2ccc3[nH]c(cc3c2)C(O)=O)cc1 |r|
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26n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50572515
PNG
(CHEMBL4863349)
Show SMILES CC#CC(=O)Nc1ccc(C[C@H](NC(=O)c2c(C)nc(-c3cccc(Cl)c3F)n2O)C(=O)Nc2ccc3[nH]c(cc3c2)C(O)=O)cc1 |r|
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31n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50572519
PNG
(CHEMBL4849888)
Show SMILES Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(NC(=O)C2CCCC2)cc1)C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O |r|
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34n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50572514
PNG
(CHEMBL4854946)
Show SMILES Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(NC(=O)C#C)cc1)C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O |r|
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53n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50572520
PNG
(CHEMBL4875072)
Show SMILES Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(NC(=O)C2CCCCC2)cc1)C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O |r|
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56n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50572523
PNG
(CHEMBL4872704)
Show SMILES Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(NC(=O)c2ncccn2)cc1)C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O |r|
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81n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50572522
PNG
(CHEMBL4864164)
Show SMILES Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(NC(=O)c2ccccn2)cc1)C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O |r|
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155n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50572512
PNG
(CHEMBL4872406)
Show SMILES CC(C)C(=O)Nc1ccc(C[C@H](NC(=O)c2c(C)nc(-c3cccc(Cl)c3F)n2O)C(=O)Nc2ccc3[nH]c(cc3c2)C(O)=O)cc1 |r|
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156n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50572517
PNG
(CHEMBL4865339)
Show SMILES CC1CC1C(=O)Nc1ccc(C[C@H](NC(=O)c2c(C)nc(-c3cccc(Cl)c3F)n2O)C(=O)Nc2ccc3[nH]c(cc3c2)C(O)=O)cc1 |r|
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192n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to plasma kallikrein (unknown origin) assessed as inhibition constant using D-Pro-Phe,Arg,pNa,2HCl as substrate preincubated for 10 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50572516
PNG
(CHEMBL4856139)
Show SMILES Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O |r|
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259n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50572507
PNG
(CHEMBL4854369)
Show SMILES Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O |r|
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356n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50572521
PNG
(CHEMBL4868504)
Show SMILES Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(NC(=O)c2ccccc2)cc1)C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O |r|
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366n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50572511
PNG
(CHEMBL4846470)
Show SMILES CC(=O)Nc1ccc(C[C@H](NC(=O)c2c(C)nc(-c3cccc(Cl)c3F)n2O)C(=O)Nc2ccc3[nH]c(cc3c2)C(O)=O)cc1 |r|
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392n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50572506
PNG
(CHEMBL4879256)
Show SMILES Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O |r|
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486n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50572508
PNG
(CHEMBL4865716)
Show SMILES Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O |r|
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962n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50572505
PNG
(CHEMBL4865036)
Show SMILES Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O |r|
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2.82E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50572510
PNG
(CHEMBL4853234)
Show SMILES Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O |r|
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3.08E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50572517
PNG
(CHEMBL4865339)
Show SMILES CC1CC1C(=O)Nc1ccc(C[C@H](NC(=O)c2c(C)nc(-c3cccc(Cl)c3F)n2O)C(=O)Nc2ccc3[nH]c(cc3c2)C(O)=O)cc1 |r|
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4.19E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 7a (unknown origin) assessed as inhibition constant using CH3SO2-D-CHA-But-Arg-pNA,ACOH as substrate preincuba...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50572504
PNG
(CHEMBL4849487)
Show SMILES Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(CC(O)=O)cc1 |r|
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6.86E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50572509
PNG
(CHEMBL4849735)
Show SMILES Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O |r|
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7.32E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50572517
PNG
(CHEMBL4865339)
Show SMILES CC1CC1C(=O)Nc1ccc(C[C@H](NC(=O)c2c(C)nc(-c3cccc(Cl)c3F)n2O)C(=O)Nc2ccc3[nH]c(cc3c2)C(O)=O)cc1 |r|
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>8.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 10a (unknown origin) assessed as inhibition constant using CH3OCO-D-CHA-Gly-Arg-pNA,ACOH as substrate preincub...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50572500
PNG
(CHEMBL4874449)
Show SMILES Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)C(O)=O |r|
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1.18E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50572498
PNG
(CHEMBL4864452)
Show SMILES Cc1nc(-c2cccc(Cl)c2)n(O)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)C(O)=O |r|
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1.45E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50572494
PNG
(CHEMBL4849981)
Show SMILES Cc1nc(-c2ccccc2C#N)n(O)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)C(O)=O |r|
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1.89E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50572502
PNG
(CHEMBL4863572)
Show SMILES Cc1nc(-c2cccc(Cl)c2F)n(C)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)C(O)=O |r|
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2.24E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50572493
PNG
(CHEMBL4860514)
Show SMILES Cc1nc(-c2cccc(c2)C#N)n(O)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)C(O)=O |r|
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2.39E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50572501
PNG
(CHEMBL4861304)
Show SMILES Cc1nc([nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)C(O)=O)-c1cccc(Cl)c1F |r|
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2.64E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50572503
PNG
(CHEMBL4878154)
Show SMILES COn1c(nc(C)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)C(O)=O)-c1cccc(Cl)c1F |r|
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>1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50572496
PNG
(CHEMBL4856757)
Show SMILES Cc1nc(-c2ccccc2)n(O)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)C(O)=O |r|
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>1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50572497
PNG
(CHEMBL4854510)
Show SMILES Cc1nc(-c2ccc(Cl)cc2)n(O)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)C(O)=O |r|
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>1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50572499
PNG
(CHEMBL4874036)
Show SMILES Cc1nc(-c2ccccc2Cl)n(O)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)C(O)=O |r|
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>1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50572495
PNG
(CHEMBL4876276)
Show SMILES Cc1nc(-c2ccc(cc2)C#N)n(O)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)C(O)=O |r|
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>1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50572491
PNG
(CHEMBL4873824)
Show SMILES Cc1nc(-c2cccc(c2)C#N)n(O)c1C(O)=O
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1.20E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50572492
PNG
(CHEMBL4864462)
Show SMILES Cc1nc(-c2ccc(O)c(c2)C#N)n(O)c1C(O)=O
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2.28E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50127439
PNG
(CHEMBL3628187)
Show SMILES COc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1O
Show InChI InChI=1S/C13H11N3O4/c1-7-11(13(17)18)16(19)12(15-7)8-3-4-10(20-2)9(5-8)6-14/h3-5,19H,1-2H3,(H,17,18)
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2.43E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50127487
PNG
(CHEMBL3628192)
Show SMILES CC(C)COc1ccc(cc1C#N)-c1nc(C)c(C(O)=O)n1O
Show InChI InChI=1S/C16H17N3O4/c1-9(2)8-23-13-5-4-11(6-12(13)7-17)15-18-10(3)14(16(20)21)19(15)22/h4-6,9,22H,8H2,1-3H3,(H,20,21)
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>5.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113437
BindingDB Entry DOI: 10.7270/Q22N5622
More data for this
Ligand-Target Pair