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Compile Data Set for Download or QSAR

Found 134 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor XIII' AND taxid = 9606   
Target
(Institution)
LigandTarget
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


(Homo sapiens)
BDBM50083722
PNG
(CHEMBL3423198)
Show SMILES NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(Br)c(Cl)c1
Show InChI InChI=1/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+/s2
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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...


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


(Homo sapiens)
BDBM50083725
PNG
(CHEMBL3423195)
Show SMILES NC(=O)[C@H]1O[C@H]1C(=O)Nc1cccc(Oc2ccccc2)c1
Show InChI InChI=1/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+/s2
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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...


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


(Homo sapiens)
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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n/an/a 39n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


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


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


(Homo sapiens)
BDBM50083726
PNG
(CHEMBL3423194)
Show SMILES NC(=O)[C@H]1O[C@H]1C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1/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+/s2
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n/an/a 48n/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...


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


(Homo sapiens)
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


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


(Homo sapiens)
BDBM50083728
PNG
(CHEMBL3423193)
Show SMILES NC(=O)[C@H]1O[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1/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+/s2
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n/an/a 55n/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...


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


(Homo sapiens)
BDBM50420458
PNG
(CHEMBL2086891)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)cc1Cl
Show InChI InChI=1S/C18H24ClN3O5S/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 66n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


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


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


(Homo sapiens)
BDBM50083718
PNG
(CHEMBL3423202)
Show SMILES NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(Oc2ccc(N)cc2)cc1
Show InChI InChI=1/C16H15N3O4/c17-9-1-5-11(6-2-9)22-12-7-3-10(4-8-12)19-16(21)14-13(23-14)15(18)20/h1-8,13-14H,17H2,(H2,18,20)(H,19,21)/t13-,14+/s2
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n/an/a 86n/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...


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


(Homo sapiens)
BDBM50083720
PNG
(CHEMBL3423200)
Show SMILES NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(CCNS(=O)(=O)c2ccccc2[N+]([O-])=O)cc1
Show InChI InChI=1/C18H18N4O7S/c19-17(23)15-16(29-15)18(24)21-12-7-5-11(6-8-12)9-10-20-30(27,28)14-4-2-1-3-13(14)22(25)26/h1-8,15-16,20H,9-10H2,(H2,19,23)(H,21,24)/t15-,16+/s2
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n/an/a 90n/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...


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


(Homo sapiens)
BDBM50083717
PNG
(CHEMBL3423203)
Show SMILES NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1
Show InChI InChI=1/C23H18FN3O5/c24-14-3-1-13(2-4-14)22(29)26-15-5-9-17(10-6-15)31-18-11-7-16(8-12-18)27-23(30)20-19(32-20)21(25)28/h1-12,19-20H,(H2,25,28)(H,26,29)(H,27,30)/t19-,20+/s2
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n/an/a 100n/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...


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


(Homo sapiens)
BDBM50164227
PNG
(5-Methyl-2-(2-oxo-propylsulfanyl)-thiazolo[2,3-b][...)
Show SMILES CC(=O)CSc1n[n+]2c(C)csc2s1
Show InChI InChI=1S/C8H9N2OS3/c1-5-3-13-8-10(5)9-7(14-8)12-4-6(2)11/h3H,4H2,1-2H3/q+1
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n/an/a 100n/an/an/an/an/an/a



Apotex Research Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of compound against factor XIIIa


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


(Homo sapiens)
BDBM50164216
PNG
(CHEMBL190022 | N-[6-(Imidazo[1,2-d][1,2,4]thiadiaz...)
Show SMILES CN(CCCCCCNS(=O)(=O)c1ccccc1[N+]([O-])=O)c1n[s+]c2[n-]ccn12
Show InChI InChI=1S/C17H22N6O4S2/c1-21(16-20-28-17-18-11-13-22(16)17)12-7-3-2-6-10-19-29(26,27)15-9-5-4-8-14(15)23(24)25/h4-5,8-9,11,13,19H,2-3,6-7,10,12H2,1H3
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n/an/a 110n/an/an/an/an/an/a



Apotex Research Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of compound against factor XIIIa


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


(Homo sapiens)
BDBM50083721
PNG
(CHEMBL3423199)
Show SMILES Cc1ccc(NC(=O)[C@H]2O[C@H]2C(N)=O)cc1C
Show InChI InChI=1/C12H14N2O3/c1-6-3-4-8(5-7(6)2)14-12(16)10-9(17-10)11(13)15/h3-5,9-10H,1-2H3,(H2,13,15)(H,14,16)/t9-,10+/s2
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n/an/a 110n/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...


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


(Homo sapiens)
BDBM50164222
PNG
(CHEMBL193212 | N-[6-(Imidazo[1,2-d][1,2,4]thiadiaz...)
Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)NCCCCCCNc1n[s+]c2[n-]ccn12
Show InChI InChI=1S/C16H20N6O4S2/c23-22(24)13-7-3-4-8-14(13)28(25,26)19-10-6-2-1-5-9-17-15-20-27-16-18-11-12-21(15)16/h3-4,7-8,11-12,19H,1-2,5-6,9-10H2,(H,17,20)
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n/an/a 130n/an/an/an/an/an/a



Apotex Research Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of compound against factor XIIIa


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


(Homo sapiens)
BDBM50083723
PNG
(CHEMBL3423197)
Show SMILES NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1/C10H9BrN2O3/c11-5-1-3-6(4-2-5)13-10(15)8-7(16-8)9(12)14/h1-4,7-8H,(H2,12,14)(H,13,15)/t7-,8+/s2
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n/an/a 130n/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...


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


(Homo sapiens)
BDBM50420459
PNG
(CHEMBL2086528)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C24H31N3O4S/c1-2-22(28)25-20-3-5-21(6-4-20)32(30,31)27-9-7-26(8-10-27)23(29)24-14-17-11-18(15-24)13-19(12-17)16-24/h2-6,17-19H,1,7-16H2,(H,25,28)
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n/an/a 180n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


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


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


(Homo sapiens)
BDBM50420466
PNG
(CHEMBL2086518)
Show SMILES CCOC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)cc1
Show InChI InChI=1S/C16H21N3O5S/c1-3-15(20)17-13-5-7-14(8-6-13)25(22,23)19-11-9-18(10-12-19)16(21)24-4-2/h3,5-8H,1,4,9-12H2,2H3,(H,17,20)
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n/an/a 180n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


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


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


(Homo sapiens)
BDBM50420467
PNG
(CHEMBL2086521)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C23H25N3O4S/c1-2-22(27)24-18-8-10-19(11-9-18)31(29,30)26-14-12-25(13-15-26)23(28)21-16-20(21)17-6-4-3-5-7-17/h2-11,20-21H,1,12-16H2,(H,24,27)/t20-,21?/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


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


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


(Homo sapiens)
BDBM50420502
PNG
(CHEMBL2086504)
Show SMILES Cc1cc(NC(=O)C=C)ccc1S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H27N3O5S/c1-6-17(23)20-15-7-8-16(14(2)13-15)28(25,26)22-11-9-21(10-12-22)18(24)27-19(3,4)5/h6-8,13H,1,9-12H2,2-5H3,(H,20,23)
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n/an/a 210n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


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


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


(Homo sapiens)
BDBM50083759
PNG
(CHEMBL3423192)
Show SMILES CCCCc1ccc(NC(=O)[C@@H]2O[C@@H]2C(N)=O)cc1
Show InChI InChI=1/C14H18N2O3/c1-2-3-4-9-5-7-10(8-6-9)16-14(18)12-11(19-12)13(15)17/h5-8,11-12H,2-4H2,1H3,(H2,15,17)(H,16,18)/t11-,12+/s2
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n/an/a 220n/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...


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


(Homo sapiens)
BDBM50420518
PNG
(CHEMBL2086531)
Show SMILES Cc1cccc(n1)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)cc1
Show InChI InChI=1S/C19H22N4O3S/c1-3-19(24)21-16-7-9-17(10-8-16)27(25,26)23-13-11-22(12-14-23)18-6-4-5-15(2)20-18/h3-10H,1,11-14H2,2H3,(H,21,24)
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Evotec (UK) Ltd.

Curated by ChEMBL


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


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


(Homo sapiens)
BDBM50420508
PNG
(CHEMBL2086512)
Show SMILES Cc1ccccc1COC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)cc1
Show InChI InChI=1S/C22H25N3O5S/c1-3-21(26)23-19-8-10-20(11-9-19)31(28,29)25-14-12-24(13-15-25)22(27)30-16-18-7-5-4-6-17(18)2/h3-11H,1,12-16H2,2H3,(H,23,26)
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Evotec (UK) Ltd.

Curated by ChEMBL


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


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


(Homo sapiens)
BDBM50420519
PNG
(CHEMBL2086519)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OC1CCCC1
Show InChI InChI=1S/C19H25N3O5S/c1-2-18(23)20-15-7-9-17(10-8-15)28(25,26)22-13-11-21(12-14-22)19(24)27-16-5-3-4-6-16/h2,7-10,16H,1,3-6,11-14H2,(H,20,23)
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Evotec (UK) Ltd.

Curated by ChEMBL


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


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


(Homo sapiens)
BDBM50420505
PNG
(CHEMBL2086509)
Show SMILES Clc1ccccc1COC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)cc1
Show InChI InChI=1S/C21H22ClN3O5S/c1-2-20(26)23-17-7-9-18(10-8-17)31(28,29)25-13-11-24(12-14-25)21(27)30-15-16-5-3-4-6-19(16)22/h2-10H,1,11-15H2,(H,23,26)
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Evotec (UK) Ltd.

Curated by ChEMBL


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


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


(Homo sapiens)
BDBM50420443
PNG
(CHEMBL2086532)
Show SMILES FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)cc1
Show InChI InChI=1S/C19H19F3N4O3S/c1-2-17(27)24-14-5-7-15(8-6-14)30(28,29)26-12-10-25(11-13-26)18-16(19(20,21)22)4-3-9-23-18/h2-9H,1,10-13H2,(H,24,27)
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Evotec (UK) Ltd.

Curated by ChEMBL


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


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


(Homo sapiens)
BDBM50420463
PNG
(CHEMBL2086480)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCCC1
Show InChI InChI=1S/C19H25N3O4S/c1-2-18(23)20-16-7-9-17(10-8-16)27(25,26)22-13-11-21(12-14-22)19(24)15-5-3-4-6-15/h2,7-10,15H,1,3-6,11-14H2,(H,20,23)
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Evotec (UK) Ltd.

Curated by ChEMBL


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


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


(Homo sapiens)
BDBM50420515
PNG
(CHEMBL2086523)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)N1CCC2CCCCC2C1
Show InChI InChI=1S/C23H32N4O4S/c1-2-22(28)24-20-7-9-21(10-8-20)32(30,31)27-15-13-25(14-16-27)23(29)26-12-11-18-5-3-4-6-19(18)17-26/h2,7-10,18-19H,1,3-6,11-17H2,(H,24,28)
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Evotec (UK) Ltd.

Curated by ChEMBL


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


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


(Homo sapiens)
BDBM50420469
PNG
(CHEMBL2086525)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)N1CCCCC1
Show InChI InChI=1S/C19H26N4O4S/c1-2-18(24)20-16-6-8-17(9-7-16)28(26,27)23-14-12-22(13-15-23)19(25)21-10-4-3-5-11-21/h2,6-9H,1,3-5,10-15H2,(H,20,24)
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Evotec (UK) Ltd.

Curated by ChEMBL


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


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


(Homo sapiens)
BDBM50420470
PNG
(CHEMBL2086526)
Show SMILES FC1(F)CCN(CC1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)cc1
Show InChI InChI=1S/C19H24F2N4O4S/c1-2-17(26)22-15-3-5-16(6-4-15)30(28,29)25-13-11-24(12-14-25)18(27)23-9-7-19(20,21)8-10-23/h2-6H,1,7-14H2,(H,22,26)
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Evotec (UK) Ltd.

Curated by ChEMBL


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


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


(Homo sapiens)
BDBM50420514
PNG
(CHEMBL2086522)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C17H21N3O4S/c1-2-16(21)18-14-5-7-15(8-6-14)25(23,24)20-11-9-19(10-12-20)17(22)13-3-4-13/h2,5-8,13H,1,3-4,9-12H2,(H,18,21)
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Evotec (UK) Ltd.

Curated by ChEMBL


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


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


(Homo sapiens)
BDBM50420512
PNG
(CHEMBL2086517)
Show SMILES COC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)cc1
Show InChI InChI=1S/C15H19N3O5S/c1-3-14(19)16-12-4-6-13(7-5-12)24(21,22)18-10-8-17(9-11-18)15(20)23-2/h3-7H,1,8-11H2,2H3,(H,16,19)
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Evotec (UK) Ltd.

Curated by ChEMBL


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


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


(Homo sapiens)
BDBM50420461
PNG
(CHEMBL2089398)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C22H25N3O5S/c1-2-21(26)23-18-8-10-20(11-9-18)31(28,29)25-14-12-19(13-15-25)24-22(27)30-16-17-6-4-3-5-7-17/h2-11,19H,1,12-16H2,(H,23,26)(H,24,27)
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Evotec (UK) Ltd.

Curated by ChEMBL


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


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


(Homo sapiens)
BDBM50420464
PNG
(CHEMBL2086506)
Show SMILES Fc1cccc(COC(=O)N2CCN(CC2)S(=O)(=O)c2ccc(NC(=O)C=C)cc2)c1F
Show InChI InChI=1S/C21H21F2N3O5S/c1-2-19(27)24-16-6-8-17(9-7-16)32(29,30)26-12-10-25(11-13-26)21(28)31-14-15-4-3-5-18(22)20(15)23/h2-9H,1,10-14H2,(H,24,27)
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Evotec (UK) Ltd.

Curated by ChEMBL


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


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


(Homo sapiens)
BDBM50420468
PNG
(CHEMBL2086524)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)N1CCCC2CCCCC12
Show InChI InChI=1S/C23H32N4O4S/c1-2-22(28)24-19-9-11-20(12-10-19)32(30,31)26-16-14-25(15-17-26)23(29)27-13-5-7-18-6-3-4-8-21(18)27/h2,9-12,18,21H,1,3-8,13-17H2,(H,24,28)
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Evotec (UK) Ltd.

Curated by ChEMBL


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


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


(Homo sapiens)
BDBM50420504
PNG
(CHEMBL2086507)
Show SMILES Fc1ccc(COC(=O)N2CCN(CC2)S(=O)(=O)c2ccc(NC(=O)C=C)cc2)cc1
Show InChI InChI=1S/C21H22FN3O5S/c1-2-20(26)23-18-7-9-19(10-8-18)31(28,29)25-13-11-24(12-14-25)21(27)30-15-16-3-5-17(22)6-4-16/h2-10H,1,11-15H2,(H,23,26)
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Evotec (UK) Ltd.

Curated by ChEMBL


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


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


(Homo sapiens)
BDBM50420506
PNG
(CHEMBL2086510)
Show SMILES FC(F)(F)c1ccccc1COC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)cc1
Show InChI InChI=1S/C22H22F3N3O5S/c1-2-20(29)26-17-7-9-18(10-8-17)34(31,32)28-13-11-27(12-14-28)21(30)33-15-16-5-3-4-6-19(16)22(23,24)25/h2-10H,1,11-15H2,(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


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


(Homo sapiens)
BDBM50420471
PNG
(CHEMBL2086530)
Show SMILES Cc1cccnc1N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)cc1
Show InChI InChI=1S/C19H22N4O3S/c1-3-18(24)21-16-6-8-17(9-7-16)27(25,26)23-13-11-22(12-14-23)19-15(2)5-4-10-20-19/h3-10H,1,11-14H2,2H3,(H,21,24)
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Evotec (UK) Ltd.

Curated by ChEMBL


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


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


(Homo sapiens)
BDBM50420478
PNG
(CHEMBL2086479)
Show SMILES C=CC(=O)Nc1cccc(c1)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H23N3O5S/c1-2-20(25)22-18-9-6-10-19(15-18)30(27,28)24-13-11-23(12-14-24)21(26)29-16-17-7-4-3-5-8-17/h2-10,15H,1,11-14,16H2,(H,22,25)
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Evotec (UK) Ltd.

Curated by ChEMBL


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


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


(Homo sapiens)
BDBM50420444
PNG
(CHEMBL2086534)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C19H21N3O3S/c1-2-19(23)20-16-8-10-18(11-9-16)26(24,25)22-14-12-21(13-15-22)17-6-4-3-5-7-17/h2-11H,1,12-15H2,(H,20,23)
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Evotec (UK) Ltd.

Curated by ChEMBL


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


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


(Homo sapiens)
BDBM50420509
PNG
(CHEMBL2086513)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OCc1cccc2ccccc12
Show InChI InChI=1S/C25H25N3O5S/c1-2-24(29)26-21-10-12-22(13-11-21)34(31,32)28-16-14-27(15-17-28)25(30)33-18-20-8-5-7-19-6-3-4-9-23(19)20/h2-13H,1,14-18H2,(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


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


(Homo sapiens)
BDBM50420524
PNG
(CHEMBL2089389)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N[C@@H]1CCN(C1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H23N3O5S/c1-2-20(25)22-17-8-10-19(11-9-17)30(27,28)23-18-12-13-24(14-18)21(26)29-15-16-6-4-3-5-7-16/h2-11,18,23H,1,12-15H2,(H,22,25)/t18-/m1/s1
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Evotec (UK) Ltd.

Curated by ChEMBL


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


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


(Homo sapiens)
BDBM50420522
PNG
(CHEMBL2089388)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H23N3O5S/c1-2-20(25)22-18-8-10-19(11-9-18)30(27,28)24-14-12-23(13-15-24)21(26)29-16-17-6-4-3-5-7-17/h2-11H,1,12-16H2,(H,22,25)
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Evotec (UK) Ltd.

Curated by ChEMBL


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


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


(Homo sapiens)
BDBM50164223
PNG
(2-{Imidazo[1,2-d][1,2,4]thiadiazol-3-yl-[6-(2-nitr...)
Show SMILES NC(=O)CN(CCCCCCNS(=O)(=O)c1ccccc1[N+]([O-])=O)c1n[s+]c2[n-]ccn12
Show InChI InChI=1S/C18H23N7O5S2/c19-16(26)13-23(17-22-31-18-20-10-12-24(17)18)11-6-2-1-5-9-21-32(29,30)15-8-4-3-7-14(15)25(27)28/h3-4,7-8,10,12,21H,1-2,5-6,9,11,13H2,(H2,19,26)
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Apotex Research Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of compound against factor XIIIa


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


(Homo sapiens)
BDBM50420437
PNG
(CHEMBL2089386)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)cc1
Show InChI InChI=1S/C18H25N3O5S/c1-5-16(22)19-14-6-8-15(9-7-14)27(24,25)21-12-10-20(11-13-21)17(23)26-18(2,3)4/h5-9H,1,10-13H2,2-4H3,(H,19,22)
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n/an/a 430n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


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


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


(Homo sapiens)
BDBM50083719
PNG
(CHEMBL3423201)
Show SMILES NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1/C16H13N3O6/c17-15(20)13-14(25-13)16(21)18-9-1-5-11(6-2-9)24-12-7-3-10(4-8-12)19(22)23/h1-8,13-14H,(H2,17,20)(H,18,21)/t13-,14+/s2
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n/an/a 430n/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...


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


(Homo sapiens)
BDBM50420475
PNG
(CHEMBL2089396)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1
Show InChI InChI=1S/C23H27N3O5S/c1-2-22(27)25-20-8-10-21(11-9-20)32(29,30)26-14-12-18(13-15-26)16-24-23(28)31-17-19-6-4-3-5-7-19/h2-11,18H,1,12-17H2,(H,24,28)(H,25,27)
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n/an/a 440n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


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


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


(Homo sapiens)
BDBM50420511
PNG
(CHEMBL2086516)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H27N3O6S/c1-2-26(31)28-22-10-14-25(15-11-22)37(33,34)30-18-16-29(17-19-30)27(32)35-20-21-8-12-24(13-9-21)36-23-6-4-3-5-7-23/h2-15H,1,16-20H2,(H,28,31)
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n/an/a 470n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


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


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


(Homo sapiens)
BDBM50420477
PNG
(CHEMBL2089399)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)NC1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H25N3O5S/c1-2-21(26)23-18-8-10-20(11-9-18)31(28,29)24-19-12-14-25(15-13-19)22(27)30-16-17-6-4-3-5-7-17/h2-11,19,24H,1,12-16H2,(H,23,26)
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n/an/a 480n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


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


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


(Homo sapiens)
BDBM50420465
PNG
(CHEMBL2086508)
Show SMILES Fc1cc(F)cc(COC(=O)N2CCN(CC2)S(=O)(=O)c2ccc(NC(=O)C=C)cc2)c1
Show InChI InChI=1S/C21H21F2N3O5S/c1-2-20(27)24-18-3-5-19(6-4-18)32(29,30)26-9-7-25(8-10-26)21(28)31-14-15-11-16(22)13-17(23)12-15/h2-6,11-13H,1,7-10,14H2,(H,24,27)
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n/an/a 500n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


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


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


(Homo sapiens)
BDBM50420517
PNG
(CHEMBL2086529)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C18H20N4O3S/c1-2-18(23)20-15-6-8-16(9-7-15)26(24,25)22-13-11-21(12-14-22)17-5-3-4-10-19-17/h2-10H,1,11-14H2,(H,20,23)
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n/an/a 500n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
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