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Compile Data Set for Download or QSAR

Found 84 hits Enz. Inhib. hit(s) with Target = 'Transglutaminase-3 (TG3)' 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
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
BDBM50420474
PNG
(CHEMBL2086889 | US9073941, 607)
Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(OC)cc1
Show InChI InChI=1S/C15H15N5O3/c1-4-20-13-11(14(21)19(2)15(22)17-13)16-12(18-20)9-5-7-10(23-3)8-6-9/h5-8H,4H2,1-3H3
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n/an/a 11n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
BDBM185173
PNG
(N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-o...)
Show SMILES C=CC(=O)NCC(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C20H29N3O3/c1-2-17(24)21-13-18(25)22-3-5-23(6-4-22)19(26)20-10-14-7-15(11-20)9-16(8-14)12-20/h2,14-16H,1,3-13H2,(H,21,24)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
BDBM185181
PNG
(N-[2-[4-[[5-(dimethylamino)-1-naphthyl]sulfonyl]pi...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(CC1)C(=O)CNC(=O)C=C
Show InChI InChI=1S/C21H26N4O4S/c1-4-20(26)22-15-21(27)24-11-13-25(14-12-24)30(28,29)19-10-6-7-16-17(19)8-5-9-18(16)23(2)3/h4-10H,1,11-15H2,2-3H3,(H,22,26)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
BDBM185183
PNG
(2-(1-Adamantyl)ethyl 4-[2-[(2-bromoacetyl)amino]ac...)
Show SMILES BrCC(=O)NCC(=O)N1CCN(CC1)C(=O)OCCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C21H32BrN3O4/c22-13-18(26)23-14-19(27)24-2-4-25(5-3-24)20(28)29-6-1-21-10-15-7-16(11-21)9-17(8-15)12-21/h15-17H,1-14H2,(H,23,26)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
BDBM50420456
PNG
(CHEMBL1605548)
Show SMILES Brc1ccc(NC(=O)C=C)cc1
Show InChI InChI=1S/C9H8BrNO/c1-2-9(12)11-8-5-3-7(10)4-6-8/h2-6H,1H2,(H,11,12)
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n/an/a 5.30E+4n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
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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n/an/a 5.60E+4n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
BDBM185163
PNG
((6-Methoxycarbonyl-2-naphthyl)methyl 4-[2-[(2-brom...)
Show SMILES COC(=O)c1ccc2cc(COC(=O)N3CCN(CC3)C(=O)CNC(=O)CBr)ccc2c1
Show InChI InChI=1S/C22H24BrN3O6/c1-31-21(29)18-5-4-16-10-15(2-3-17(16)11-18)14-32-22(30)26-8-6-25(7-9-26)20(28)13-24-19(27)12-23/h2-5,10-11H,6-9,12-14H2,1H3,(H,24,27)
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n/an/a 6.50E+4n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
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 6.90E+4n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
BDBM185170
PNG
(N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-o...)
Show SMILES BrCC(=O)NCC(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C19H28BrN3O3/c20-11-16(24)21-12-17(25)22-1-3-23(4-2-22)18(26)19-8-13-5-14(9-19)7-15(6-13)10-19/h13-15H,1-12H2,(H,21,24)
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n/an/a 7.00E+4n/an/an/an/an/an/a



Aston University



Assay Description
For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wa...


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
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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n/an/a 7.10E+4n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
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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n/an/a 7.20E+4n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
BDBM50400619
PNG
(CHEMBL2203476)
Show SMILES CC(C)(C)OC(=O)CNC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C23H33N3O6/c1-5-19(27)24-14-10-9-13-18(21(29)25-15-20(28)32-23(2,3)4)26-22(30)31-16-17-11-7-6-8-12-17/h5-8,11-12,18H,1,9-10,13-16H2,2-4H3,(H,24,27)(H,25,29)(H,26,30)/t18-/m0/s1
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n/an/a>8.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of transglutaminase 3


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
BDBM50400621
PNG
(CHEMBL2203451)
Show SMILES Cc1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C27H35N5O3/c1-3-25(33)28-15-8-7-13-23(30-26(34)20-22-11-5-4-6-12-22)27(35)32-18-16-31(17-19-32)24-14-9-10-21(2)29-24/h3-6,9-12,14,23H,1,7-8,13,15-20H2,2H3,(H,28,33)(H,30,34)/t23-/m0/s1
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TBA

Assay Description
Inhibition of transglutaminase 3


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
BDBM50400625
PNG
(CHEMBL2203469)
Show SMILES Clc1ccccc1N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H33ClN4O4/c1-2-25(33)29-15-9-8-13-23(30-27(35)36-20-21-10-4-3-5-11-21)26(34)32-18-16-31(17-19-32)24-14-7-6-12-22(24)28/h2-7,10-12,14,23H,1,8-9,13,15-20H2,(H,29,33)(H,30,35)/t23-/m0/s1
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TBA

Assay Description
Inhibition of transglutaminase 3


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
BDBM50400626
PNG
(CHEMBL2203467)
Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C28H35N3O4/c1-2-26(32)29-18-10-9-15-25(30-28(34)35-21-22-11-5-3-6-12-22)27(33)31-19-16-24(17-20-31)23-13-7-4-8-14-23/h2-8,11-14,24-25H,1,9-10,15-21H2,(H,29,32)(H,30,34)/t25-/m0/s1
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TBA

Assay Description
Inhibition of transglutaminase 3


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
BDBM50392881
PNG
(CHEMBL2152090)
Show SMILES C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C22H25N3O5S/c1-2-21(26)23-19-12-14-25(15-13-19)31(28,29)20-10-8-18(9-11-20)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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TBA

Assay Description
Inhibition of human TGM3


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
BDBM50420460
PNG
(CHEMBL2086473)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C13H16N2O3S/c1-2-13(16)14-11-5-7-12(8-6-11)19(17,18)15-9-3-4-10-15/h2,5-8H,1,3-4,9-10H2,(H,14,16)
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Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
BDBM50420520
PNG
(CHEMBL2089385)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(=O)[CH-][N+]#N)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H46N8O7/c1-20(2)17-26(33(48)41-16-8-12-28(41)32(47)38-25(29(34)44)18-22-9-5-4-6-10-22)39-30(45)24(14-13-23(43)19-36-35)37-31(46)27-11-7-15-40(27)21(3)42/h4-6,9-10,19-20,24-28H,7-8,11-18H2,1-3H3,(H2,34,44)(H,37,46)(H,38,47)(H,39,45)/t24-,25-,26-,27-,28-/m0/s1
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Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
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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Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
BDBM50420521
PNG
(CHEMBL2089387)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCNCC1
Show InChI InChI=1S/C13H17N3O3S/c1-2-13(17)15-11-3-5-12(6-4-11)20(18,19)16-9-7-14-8-10-16/h2-6,14H,1,7-10H2,(H,15,17)
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Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
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 TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
BDBM50420523
PNG
(CHEMBL2089390)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CC[C@@H](C1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C21H23N3O5S/c1-2-20(25)22-17-8-10-19(11-9-17)30(27,28)24-13-12-18(14-24)23-21(26)29-15-16-6-4-3-5-7-16/h2-11,18H,1,12-15H2,(H,22,25)(H,23,26)/t18-/m0/s1
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Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
BDBM50420438
PNG
(CHEMBL2089391)
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-/m0/s1
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Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
BDBM50420439
PNG
(CHEMBL2089392)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CC[C@H](C1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C21H23N3O5S/c1-2-20(25)22-17-8-10-19(11-9-17)30(27,28)24-13-12-18(14-24)23-21(26)29-15-16-6-4-3-5-7-16/h2-11,18H,1,12-15H2,(H,22,25)(H,23,26)/t18-/m1/s1
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Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
BDBM50420440
PNG
(CHEMBL2089393)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CC2CN(CC2C1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C23H25N3O5S/c1-2-22(27)24-20-8-10-21(11-9-20)32(29,30)26-14-18-12-25(13-19(18)15-26)23(28)31-16-17-6-4-3-5-7-17/h2-11,18-19H,1,12-16H2,(H,24,27)
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Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
BDBM50420441
PNG
(CHEMBL2089394)
Show SMILES CN(CCN(C)S(=O)(=O)c1ccc(NC(=O)C=C)cc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H25N3O5S/c1-4-20(25)22-18-10-12-19(13-11-18)30(27,28)24(3)15-14-23(2)21(26)29-16-17-8-6-5-7-9-17/h4-13H,1,14-16H2,2-3H3,(H,22,25)
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Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
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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Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
BDBM50420476
PNG
(CHEMBL2089397)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)NCC1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C23H27N3O5S/c1-2-22(27)25-20-8-10-21(11-9-20)32(29,30)24-16-18-12-14-26(15-13-18)23(28)31-17-19-6-4-3-5-7-19/h2-11,18,24H,1,12-17H2,(H,25,27)
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Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
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 TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
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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Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
BDBM50420462
PNG
(CHEMBL2089400)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H25N3O5S/c1-2-21(26)23-19-9-11-20(12-10-19)31(28,29)25-14-6-13-24(15-16-25)22(27)30-17-18-7-4-3-5-8-18/h2-5,7-12H,1,6,13-17H2,(H,23,26)
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Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
BDBM50420499
PNG
(CHEMBL2086501)
Show SMILES CC(C)CN(C)c1cc(ccc1NC(=O)C=C)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C26H34N4O5S/c1-5-25(31)27-23-12-11-22(17-24(23)28(4)18-20(2)3)36(33,34)30-15-13-29(14-16-30)26(32)35-19-21-9-7-6-8-10-21/h5-12,17,20H,1,13-16,18-19H2,2-4H3,(H,27,31)
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Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
BDBM50420500
PNG
(CHEMBL2086502)
Show SMILES Fc1cc(ccc1NC(=O)C=C)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H22FN3O5S/c1-2-20(26)23-19-9-8-17(14-18(19)22)31(28,29)25-12-10-24(11-13-25)21(27)30-15-16-6-4-3-5-7-16/h2-9,14H,1,10-13,15H2,(H,23,26)
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Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
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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Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(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 TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
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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Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
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 TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
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 TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
BDBM50420507
PNG
(CHEMBL2086511)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1Oc1ccccc1
Show InChI InChI=1S/C27H27N3O6S/c1-2-26(31)28-22-12-14-24(15-13-22)37(33,34)30-18-16-29(17-19-30)27(32)35-20-21-8-6-7-11-25(21)36-23-9-4-3-5-10-23/h2-15H,1,16-20H2,(H,28,31)
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Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
BDBM50420435
PNG
(CHEMBL2086514)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccc2ccccc2c1
Show InChI InChI=1S/C25H25N3O5S/c1-2-24(29)26-22-9-11-23(12-10-22)34(31,32)28-15-13-27(14-16-28)25(30)33-18-19-7-8-20-5-3-4-6-21(20)17-19/h2-12,17H,1,13-16,18H2,(H,26,29)
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Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
BDBM50420510
PNG
(CHEMBL2086515)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OCc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C27H27N3O6S/c1-2-26(31)28-22-11-13-25(14-12-22)37(33,34)30-17-15-29(16-18-30)27(32)35-20-21-7-6-10-24(19-21)36-23-8-4-3-5-9-23/h2-14,19H,1,15-18,20H2,(H,28,31)
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Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
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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Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
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 TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
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 TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
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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n/an/a>8.00E+4n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
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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n/an/a>8.00E+4n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
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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n/an/a>8.00E+4n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
BDBM50420516
PNG
(CHEMBL2086527)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)N1CCCC1
Show InChI InChI=1S/C18H24N4O4S/c1-2-17(23)19-15-5-7-16(8-6-15)27(25,26)22-13-11-21(12-14-22)18(24)20-9-3-4-10-20/h2,5-8H,1,3-4,9-14H2,(H,19,23)
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n/an/a>8.00E+4n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
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>8.00E+4n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
Transglutaminase-3 (TG3)


(Homo sapiens (Human))
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>8.00E+4n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay


Citation and Details
More data for this
Ligand-Target Pair
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