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Compile Data Set for Download or QSAR

Found 252 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor XIII A chain'   
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 XIII A chain


(Homo sapiens (Human))
BDBM50083725
PNG
(CHEMBL3423195)
Show SMILES NC(=O)[C@H]1O[C@H]1C(=O)Nc1cccc(Oc2ccccc2)c1 |r|
Show InChI InChI=1S/C16H14N2O4/c17-15(19)13-14(22-13)16(20)18-10-5-4-8-12(9-10)21-11-6-2-1-3-7-11/h1-9,13-14H,(H2,17,19)(H,18,20)/t13-,14+/m0/s1
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Article
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n/an/a 4n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of thrombin-activated F13-A (unknown origin) in plasma assessed as inhibition of fibrin clot formation after 7 mins by biotin incorporatio...


Eur J Med Chem 98: 49-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.019
BindingDB Entry DOI: 10.7270/Q261121G
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM50083722
PNG
(CHEMBL3423198)
Show SMILES NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(Br)c(Cl)c1 |r|
Show InChI InChI=1S/C10H8BrClN2O3/c11-5-2-1-4(3-6(5)12)14-10(16)8-7(17-8)9(13)15/h1-3,7-8H,(H2,13,15)(H,14,16)/t7-,8+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of thrombin-activated F13-A (unknown origin) in plasma assessed as inhibition of fibrin clot formation after 7 mins by biotin incorporatio...


Eur J Med Chem 98: 49-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.019
BindingDB Entry DOI: 10.7270/Q261121G
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Rat)
BDBM577483
PNG
(US11472838, Compound 5)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
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n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM577509
PNG
(US11472838, Compound 27 | US11472838, Compound 31a...)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1cncc(c1)C(O)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
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TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM50245478
PNG
(CHEMBL4081588 | US11472838, Compound Ref. 25)
Show SMILES CCC(CC)CNC(=O)Cn1cccc(NC(=O)[C@H](CC\C=C\C(=O)OC)NC(=O)c2cncn2C)c1=O |r|
Show InChI InChI=1S/C26H36N6O6/c1-5-18(6-2)14-28-22(33)16-32-13-9-11-20(26(32)37)30-24(35)19(10-7-8-12-23(34)38-4)29-25(36)21-15-27-17-31(21)3/h8-9,11-13,15,17-19H,5-7,10,14,16H2,1-4H3,(H,28,33)(H,29,36)(H,30,35)/b12-8+/t19-/m0/s1
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n/an/a>10n/an/an/an/an/an/a


TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM577537
PNG
(US11472838, Compound Ref. 14)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC\C=C\C(=O)OC)NC(=O)[C@@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O |r|
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TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM577546
PNG
(US11472838, Compound Ref. 21)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)[C@H](CC(N)=O)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(O)=O |r|
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TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM577540
PNG
(US11472838, Compound Ref. 16)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC\C=C\C(=O)OC)NC(=O)[C@@H]1CC(=O)CN1)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O |r|
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TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM577484
PNG
(US11472838, Compound 1a/b)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM577511
PNG
(US11472838, Compound 29 | US11472838, Compound 32a...)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1cc(Cl)c(Cl)cc1C(O)=O)C(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C2(C)C)C(C)(C)C |r|
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM577487
PNG
(US11472838, Compound 4)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1cc(cc(c1)[N+]([O-])=O)C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM577512
PNG
(US11472838, Compound 30)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1ccc(cc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1COC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
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TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Mouse)
BDBM577483
PNG
(US11472838, Compound 5)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
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n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
The most relevant off-targets are the transglutaminase isoenzymes especially tissue transglutaminase (TG2) because the enzyme is ubiquitously express...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Crab-eating macaque)
BDBM577483
PNG
(US11472838, Compound 5)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
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n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM577483
PNG
(US11472838, Compound 5)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
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TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM577483
PNG
(US11472838, Compound 5)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
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TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Pig)
BDBM577483
PNG
(US11472838, Compound 5)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
The most relevant off-targets are the transglutaminase isoenzymes especially tissue transglutaminase (TG2) because the enzyme is ubiquitously express...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM577485
PNG
(US11472838, Compound 2a/b)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@@H](CC1CC1)C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O |r|
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TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM577488
PNG
(US11472838, Compound 6)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1cnc(O)c(c1)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
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TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Rat)
BDBM577483
PNG
(US11472838, Compound 5)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
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TBA

Assay Description
The most relevant off-targets are the transglutaminase isoenzymes especially tissue transglutaminase (TG2) because the enzyme is ubiquitously express...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM577506
PNG
(US11472838, Compound 24a/b)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1CC(=C)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Crab-eating macaque)
BDBM577483
PNG
(US11472838, Compound 5)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
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n/an/a 19n/an/an/an/an/an/a


TBA

Assay Description
The most relevant off-targets are the transglutaminase isoenzymes especially tissue transglutaminase (TG2) because the enzyme is ubiquitously express...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Mouse)
BDBM577483
PNG
(US11472838, Compound 5)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
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n/an/a 19n/an/an/an/an/an/a


TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM577486
PNG
(US11472838, Compound 3)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1nccnc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r,$;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;$|
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TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM577507
PNG
(US11472838, Compound 25a/b)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1CCOC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r,$;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;$|
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TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM577490
PNG
(US11472838, Compound 8a/b)
Show SMILES CCOC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
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TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM577489
PNG
(US11472838, Compound 7a/b)
Show SMILES CCOC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r,$;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;$|
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TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM577483
PNG
(US11472838, Compound 5)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
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TBA

Assay Description
The most relevant off-targets are the transglutaminase isoenzymes especially tissue transglutaminase (TG2) because the enzyme is ubiquitously express...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM577483
PNG
(US11472838, Compound 5)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
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TBA

Assay Description
The most relevant off-targets are the transglutaminase isoenzymes especially tissue transglutaminase (TG2) because the enzyme is ubiquitously express...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM577511
PNG
(US11472838, Compound 29 | US11472838, Compound 32a...)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1cc(Cl)c(Cl)cc1C(O)=O)C(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C2(C)C)C(C)(C)C |r|
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TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Dog)
BDBM577483
PNG
(US11472838, Compound 5)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
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TBA

Assay Description
The most relevant off-targets are the transglutaminase isoenzymes especially tissue transglutaminase (TG2) because the enzyme is ubiquitously express...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain [Q652E]


(Homo sapiens (Human))
BDBM50608714
PNG
(CHEMBL5281897)
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UniProtKB/SwissProt

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TBA



Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM577496
PNG
(US11472838, Compound 14a/b)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1CCCC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
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TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM577509
PNG
(US11472838, Compound 27 | US11472838, Compound 31a...)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1cncc(c1)C(O)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
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TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Dog)
BDBM577483
PNG
(US11472838, Compound 5)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
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TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain [Q652E]


(Homo sapiens (Human))
BDBM50608719
PNG
(CHEMBL5269766)
PDB

UniProtKB/SwissProt

GoogleScholar
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n/an/a 29n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM577547
PNG
(US11472838, Compound 45a/b)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C1CCCCC1)C(O)=O)C(C)(C)C |r|
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TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM577510
PNG
(US11472838, Compound 28)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1cnc(O)c(c1)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
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TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM50420503
PNG
(CHEMBL2086505)
Show SMILES FC(F)(F)c1cc(NC(=O)C=C)ccc1S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H22F3N3O5S/c1-2-20(29)26-17-8-9-19(18(14-17)22(23,24)25)34(31,32)28-12-10-27(11-13-28)21(30)33-15-16-6-4-3-5-7-16/h2-9,14H,1,10-13,15H2,(H,26,29)
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Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human F13a by fluorescent transamidation assay


J Med Chem 55: 1021-46 (2012)


Article DOI: 10.1021/jm201310y
BindingDB Entry DOI: 10.7270/Q2CN7560
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM577530
PNG
(US11472838, Compound 39a/b)
Show SMILES CCOC(=O)\C=C\CC[C@H](NC(=O)c1cnccc1C(O)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
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TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM577518
PNG
(US11472838, Compound 36a/b)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)CN1C(=O)[C@@H](NC(=O)[C@H](CC\C=C\C(=O)OC)NC(=O)c1ccncc1C(O)=O)C(C)(C)C)C1CCCCC1)C1CCCCC1 |r|
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TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM577499
PNG
(US11472838, Compound 17a/b)
Show SMILES CNC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r,$;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;$|
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TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM577504
PNG
(US11472838, Compound 22a/b)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1CC=C[C@H]1C(=O)NC(C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r,c:33|
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TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM577492
PNG
(US11472838, Compound 10a/b)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)Oc1ccccc1)C(C)(C)C |r|
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TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM577508
PNG
(US11472838, Compound 26a/b)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1COC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r,$;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;$|
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TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM577528
PNG
(US11472838, Compound 38)
Show SMILES CCOC(=O)\C=C\CC[C@H](NC(=O)c1cc(Cl)c(Cl)cc1C(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C1CCCCC1)C(N)=O |r|
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TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM50083726
PNG
(CHEMBL3423194)
Show SMILES NC(=O)[C@H]1O[C@H]1C(=O)Nc1cccc(Cl)c1 |r|
Show InChI InChI=1S/C10H9ClN2O3/c11-5-2-1-3-6(4-5)13-10(15)8-7(16-8)9(12)14/h1-4,7-8H,(H2,12,14)(H,13,15)/t7-,8+/m0/s1
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University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of thrombin-activated F13-A (unknown origin) in plasma assessed as inhibition of fibrin clot formation after 7 mins by biotin incorporatio...


Eur J Med Chem 98: 49-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.019
BindingDB Entry DOI: 10.7270/Q261121G
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM50420457
PNG
(CHEMBL2086890)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)cc1F
Show InChI InChI=1S/C18H24FN3O5S/c1-5-16(23)20-13-6-7-15(14(19)12-13)28(25,26)22-10-8-21(9-11-22)17(24)27-18(2,3)4/h5-7,12H,1,8-11H2,2-4H3,(H,20,23)
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n/an/a 51n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human F13a by fluorescent transamidation assay


J Med Chem 55: 1021-46 (2012)


Article DOI: 10.1021/jm201310y
BindingDB Entry DOI: 10.7270/Q2CN7560
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM577494
PNG
(US11472838, Compound 12a/b)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)OCc1ccccc1)C(C)(C)C |r|
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n/an/a 51n/an/an/an/an/an/a


TBA

Assay Description
FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MZ9
More data for this
Ligand-Target Pair
Coagulation factor XIII A chain


(Homo sapiens (Human))
BDBM50083728
PNG
(CHEMBL3423193)
Show SMILES NC(=O)[C@H]1O[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C16H14N2O4/c17-15(19)13-14(22-13)16(20)18-10-6-8-12(9-7-10)21-11-4-2-1-3-5-11/h1-9,13-14H,(H2,17,19)(H,18,20)/t13-,14+/m0/s1
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University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of thrombin-activated F13-A (unknown origin) in plasma assessed as inhibition of fibrin clot formation after 7 mins by biotin incorporatio...


Eur J Med Chem 98: 49-53 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.019
BindingDB Entry DOI: 10.7270/Q261121G
More data for this
Ligand-Target Pair
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