Found 79 hits Enz. Inhib. hit(s) with all data for assayid = 7 entry = 50042106 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420474
(CHEMBL2086889 | US9073941, 607)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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420458
(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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 950 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420503
(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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420471
(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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420452
(CHEMBL2086542)Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c1cnc(NC(=O)C=C)nc1 Show InChI InChI=1S/C16H23N5O5S/c1-5-13(22)19-14-17-10-12(11-18-14)27(24,25)21-8-6-20(7-9-21)15(23)26-16(2,3)4/h5,10-11H,1,6-9H2,2-4H3,(H,17,18,19,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420476
(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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420457
(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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420519
(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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420468
(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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420477
(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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420438
(CHEMBL2089391)Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N[C@H]1CCN(C1)C(=O)OCc1ccccc1 |r| 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420475
(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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420454
(CHEMBL2086544)Show SMILES C=CC(=O)Nc1ncc(cn1)S(=O)(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:31:22:29:25.26.27,THB:31:26:23.22.30:29,27:26:23:30.28.29,27:28:23:25.31.26| Show InChI InChI=1S/C22H29N5O4S/c1-2-19(28)25-21-23-13-18(14-24-21)32(30,31)27-5-3-26(4-6-27)20(29)22-10-15-7-16(11-22)9-17(8-15)12-22/h2,13-17H,1,3-12H2,(H,23,24,25,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420467
(CHEMBL2086521)Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1C[C@@H]1c1ccccc1 |r| 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420459
(CHEMBL2086528)Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:31:22:29:25.26.27,20:22:29:25.26.27,THB:31:26:23.22.30:29,27:26:23:30.28.29,27:28:23:25.31.26| 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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420450
(CHEMBL2086540)Show SMILES C=CC(=O)Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C16H20N4O4S/c1-2-15(21)18-14-6-5-13(11-17-14)25(23,24)20-9-7-19(8-10-20)16(22)12-3-4-12/h2,5-6,11-12H,1,3-4,7-10H2,(H,17,18,21) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420524
(CHEMBL2089389)Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N[C@@H]1CCN(C1)C(=O)OCc1ccccc1 |r| 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420522
(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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420448
(CHEMBL2086538)Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)nc1 Show InChI InChI=1S/C17H24N4O5S/c1-5-15(22)19-14-7-6-13(12-18-14)27(24,25)21-10-8-20(9-11-21)16(23)26-17(2,3)4/h5-7,12H,1,8-11H2,2-4H3,(H,18,19,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420469
(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) | PDB
UniProtKB/SwissProt
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420504
(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) | PDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420478
(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) | PDB
UniProtKB/SwissProt
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420518
(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) | PDB
UniProtKB/SwissProt
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| CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420517
(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) | PDB
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| Article
PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420462
(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) | PDB
UniProtKB/SwissProt
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420461
(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) | PDB
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PubMed
| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420437
(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) | PDB
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| Article
PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420466
(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) | PDB
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420508
(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) | PDB
UniProtKB/SwissProt
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420453
(CHEMBL2086543)Show SMILES C=CC(=O)Nc1ncc(cn1)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C19H21N5O5S/c1-2-17(25)22-18-20-12-16(13-21-18)30(27,28)24-10-8-23(9-11-24)19(26)29-14-15-6-4-3-5-7-15/h2-7,12-13H,1,8-11,14H2,(H,20,21,22,25) | PDB
UniProtKB/SwissProt
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420516
(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) | PDB
UniProtKB/SwissProt
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420470
(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) | PDB
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| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420451
(CHEMBL2086541)Show SMILES C=CC(=O)Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:31:22:29:25.26.27,THB:31:26:23.22.30:29,27:26:23:30.28.29,27:28:23:25.31.26| Show InChI InChI=1S/C23H30N4O4S/c1-2-21(28)25-20-4-3-19(15-24-20)32(30,31)27-7-5-26(6-8-27)22(29)23-12-16-9-17(13-23)11-18(10-16)14-23/h2-4,15-18H,1,5-14H2,(H,24,25,28) | PDB
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PubMed
| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420463
(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) | PDB
UniProtKB/SwissProt
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| Article
PubMed
| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420443
(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) | PDB
UniProtKB/SwissProt
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| CHEMBL
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Similars
| Article
PubMed
| n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420514
(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) | PDB
UniProtKB/SwissProt
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PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420444
(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) | PDB
UniProtKB/SwissProt
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PubMed
| n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420505
(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) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420449
(CHEMBL2086539)Show SMILES C=CC(=O)Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C20H22N4O5S/c1-2-19(25)22-18-9-8-17(14-21-18)30(27,28)24-12-10-23(11-13-24)20(26)29-15-16-6-4-3-5-7-16/h2-9,14H,1,10-13,15H2,(H,21,22,25) | PDB
UniProtKB/SwissProt
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AffyNet
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Similars
| Article
PubMed
| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420498
(CHEMBL2086499)Show SMILES O=C(CCc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1)[CH-][N+]#N Show InChI InChI=1S/C22H24N4O5S/c23-24-16-20(27)9-6-18-7-10-21(11-8-18)32(29,30)26-14-12-25(13-15-26)22(28)31-17-19-4-2-1-3-5-19/h1-5,7-8,10-11,16H,6,9,12-15,17H2 | PDB
UniProtKB/SwissProt
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PubMed
| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420502
(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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420464
(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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420509
(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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420512
(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) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420515
(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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420511
(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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420441
(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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420506
(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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420487
(CHEMBL2086489)Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)\C=C/Cl)cc1 Show InChI InChI=1S/C18H24ClN3O5S/c1-18(2,3)27-17(24)21-10-12-22(13-11-21)28(25,26)15-6-4-14(5-7-15)20-16(23)8-9-19/h4-9H,10-13H2,1-3H3,(H,20,23)/b9-8- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420497
(CHEMBL2086498)Show SMILES CCOC(=O)\C=C\Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C24H28N2O6S/c1-2-31-23(27)10-6-9-20-11-13-22(14-12-20)33(29,30)26-17-15-25(16-18-26)24(28)32-19-21-7-4-3-5-8-21/h3-8,10-14H,2,9,15-19H2,1H3/b10-6+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 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 | |
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