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Compile Data Set for Download or QSAR

Found 162 hits Enz. Inhib. hit(s) with all data for entry = 10912   
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/B chain


(Human-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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n/an/a 4n/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 B chain


(Rabbit)
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|
UniProtKB/TrEMBL

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n/an/a 7n/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


(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|
UniProtKB/SwissProt

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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))
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))
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))
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/B chain


(Human-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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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))
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))
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))
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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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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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
Protein-glutamine gamma-glutamyltransferase 2


(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


(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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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
Protein-glutamine gamma-glutamyltransferase 2


(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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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))
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


(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))
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
Protein-glutamine gamma-glutamyltransferase 2


(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


(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
Protein-glutamine gamma-glutamyltransferase 2


(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
Protein-glutamine gamma-glutamyltransferase 6


(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


(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))
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


(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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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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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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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))
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 B chain


(Rabbit)
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 20n/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))
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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n/an/a 21n/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


(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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n/an/a 24n/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))
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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n/an/a 24n/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
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))
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
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM577529
PNG
(US11472838, Compound Ref. 09)
Show SMILES CCOC(=O)\C=C\CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(N)=O)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
Protein-glutamine gamma-glutamyltransferase 2


(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))
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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n/an/a 28n/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
Protein-glutamine gamma-glutamyltransferase 2


(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
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM577526
PNG
(US11472838, Compound Ref. 7)
Show SMILES CCOC(=O)\C=C\CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1C2CCCCC2C[C@H]1C(=O)N[C@@H](CC(C)C)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))
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
Protein-glutamine gamma-glutamyltransferase 2


(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))
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|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 36n/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
Protein-glutamine gamma-glutamyltransferase 2


(Homo sapiens (Human))
BDBM577527
PNG
(US11472838, Compound Ref. 08)
Show SMILES CCOC(=O)\C=C\CC[C@H](NC(=O)OCc1ccccc1)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|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 36n/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
Protein-glutamine gamma-glutamyltransferase 2


(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|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 38n/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
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