Found 379 hits with Last Name = 'toogood-johnson' and Initial = 'i' 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 |
|---|
Caspase-3
(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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of caspase3 |
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 | |
Peptide deformylase
(Escherichia coli) | BDBM50347034
(CHEMBL1796096)Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCCCN1C(=O)c1ccco1)C=O |r| Show InChI InChI=1S/C19H27N3O5/c23-14-20(26)13-16(12-15-6-1-2-7-15)18(24)21-9-3-4-10-22(21)19(25)17-8-5-11-27-17/h5,8,11,14-16,26H,1-4,6-7,9-10,12-13H2/t16-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli nickel containing peptide deformylase |
Bioorg Med Chem Lett 21: 4032-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.132
BindingDB Entry DOI: 10.7270/Q2K074M8 |
More data for this
Ligand-Target Pair | |
Peptide deformylase
(Escherichia coli) | BDBM50347036
(CHEMBL1796098)Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCCCN1C(=O)c1ccoc1)C=O |r| Show InChI InChI=1S/C19H27N3O5/c23-14-20(26)12-17(11-15-5-1-2-6-15)19(25)22-9-4-3-8-21(22)18(24)16-7-10-27-13-16/h7,10,13-15,17,26H,1-6,8-9,11-12H2/t17-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli nickel containing peptide deformylase |
Bioorg Med Chem Lett 21: 4032-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.132
BindingDB Entry DOI: 10.7270/Q2K074M8 |
More data for this
Ligand-Target Pair | |
Peptide deformylase
(Escherichia coli) | BDBM50347040
(CHEMBL1796103)Show SMILES COc1ccccc1NC(=O)N1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r| Show InChI InChI=1S/C21H30N4O5/c1-30-19-10-5-4-9-18(19)22-21(28)25-12-6-11-24(25)20(27)17(14-23(29)15-26)13-16-7-2-3-8-16/h4-5,9-10,15-17,29H,2-3,6-8,11-14H2,1H3,(H,22,28)/t17-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli nickel containing peptide deformylase |
Bioorg Med Chem Lett 21: 4032-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.132
BindingDB Entry DOI: 10.7270/Q2K074M8 |
More data for this
Ligand-Target Pair | |
Peptide deformylase
(Escherichia coli) | BDBM50347047
(CHEMBL1796230)Show SMILES ONC(=O)C[C@@H](CC1CCCC1)C(=O)N1CCCCN1C(=O)c1ccco1 |r| Show InChI InChI=1S/C19H27N3O5/c23-17(20-26)13-15(12-14-6-1-2-7-14)18(24)21-9-3-4-10-22(21)19(25)16-8-5-11-27-16/h5,8,11,14-15,26H,1-4,6-7,9-10,12-13H2,(H,20,23)/t15-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli nickel containing peptide deformylase |
Bioorg Med Chem Lett 21: 4032-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.132
BindingDB Entry DOI: 10.7270/Q2K074M8 |
More data for this
Ligand-Target Pair | |
Peptide deformylase
(Escherichia coli) | BDBM50347046
(CHEMBL1796228)Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCCCN1C(=O)Nc1ccc(cc1)C(F)(F)F)C=O |r| Show InChI InChI=1S/C22H29F3N4O4/c23-22(24,25)18-7-9-19(10-8-18)26-21(32)29-12-4-3-11-28(29)20(31)17(14-27(33)15-30)13-16-5-1-2-6-16/h7-10,15-17,33H,1-6,11-14H2,(H,26,32)/t17-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli nickel containing peptide deformylase |
Bioorg Med Chem Lett 21: 4032-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.132
BindingDB Entry DOI: 10.7270/Q2K074M8 |
More data for this
Ligand-Target Pair | |
Peptide deformylase
(Escherichia coli) | BDBM50347021
(CHEMBL1796080)Show SMILES CC(C)(C)OC(=O)N1CCCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r| Show InChI InChI=1S/C19H33N3O5/c1-19(2,3)27-18(25)22-11-7-6-10-21(22)17(24)16(13-20(26)14-23)12-15-8-4-5-9-15/h14-16,26H,4-13H2,1-3H3/t16-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli nickel containing peptide deformylase |
Bioorg Med Chem Lett 21: 4032-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.132
BindingDB Entry DOI: 10.7270/Q2K074M8 |
More data for this
Ligand-Target Pair | |
Peptide deformylase
(Escherichia coli) | BDBM50347041
(CHEMBL1796105)Show SMILES COc1cccc(NC(=O)N2CCCN2C(=O)[C@H](CC2CCCC2)CN(O)C=O)c1 |r| Show InChI InChI=1S/C21H30N4O5/c1-30-19-9-4-8-18(13-19)22-21(28)25-11-5-10-24(25)20(27)17(14-23(29)15-26)12-16-6-2-3-7-16/h4,8-9,13,15-17,29H,2-3,5-7,10-12,14H2,1H3,(H,22,28)/t17-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli nickel containing peptide deformylase |
Bioorg Med Chem Lett 21: 4032-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.132
BindingDB Entry DOI: 10.7270/Q2K074M8 |
More data for this
Ligand-Target Pair | |
Peptide deformylase
(Escherichia coli) | BDBM50347038
(CHEMBL1796101)Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCCN1C(=O)Nc1ccccc1)C=O |r| Show InChI InChI=1S/C20H28N4O4/c25-15-22(28)14-17(13-16-7-4-5-8-16)19(26)23-11-6-12-24(23)20(27)21-18-9-2-1-3-10-18/h1-3,9-10,15-17,28H,4-8,11-14H2,(H,21,27)/t17-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli nickel containing peptide deformylase |
Bioorg Med Chem Lett 21: 4032-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.132
BindingDB Entry DOI: 10.7270/Q2K074M8 |
More data for this
Ligand-Target Pair | |
Peptide deformylase
(Escherichia coli) | BDBM50347044
(CHEMBL1796226)Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCCCN1C(=O)Nc1ccc(F)cc1)C=O |r| Show InChI InChI=1S/C21H29FN4O4/c22-18-7-9-19(10-8-18)23-21(29)26-12-4-3-11-25(26)20(28)17(14-24(30)15-27)13-16-5-1-2-6-16/h7-10,15-17,30H,1-6,11-14H2,(H,23,29)/t17-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli nickel containing peptide deformylase |
Bioorg Med Chem Lett 21: 4032-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.132
BindingDB Entry DOI: 10.7270/Q2K074M8 |
More data for this
Ligand-Target Pair | |
Peptide deformylase
(Escherichia coli) | BDBM50347035
(CHEMBL1796097)Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCCN1C(=O)c1ccoc1)C=O |r| Show InChI InChI=1S/C18H25N3O5/c22-13-19(25)11-16(10-14-4-1-2-5-14)18(24)21-8-3-7-20(21)17(23)15-6-9-26-12-15/h6,9,12-14,16,25H,1-5,7-8,10-11H2/t16-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli nickel containing peptide deformylase |
Bioorg Med Chem Lett 21: 4032-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.132
BindingDB Entry DOI: 10.7270/Q2K074M8 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG2 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 | |
Peptide deformylase
(Escherichia coli) | BDBM50347050
(CHEMBL1796104)Show SMILES COc1ccccc1NC(=O)N1CCCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r| Show InChI InChI=1S/C22H32N4O5/c1-31-20-11-5-4-10-19(20)23-22(29)26-13-7-6-12-25(26)21(28)18(15-24(30)16-27)14-17-8-2-3-9-17/h4-5,10-11,16-18,30H,2-3,6-9,12-15H2,1H3,(H,23,29)/t18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli nickel containing peptide deformylase |
Bioorg Med Chem Lett 21: 4032-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.132
BindingDB Entry DOI: 10.7270/Q2K074M8 |
More data for this
Ligand-Target Pair | |
Peptide deformylase
(Escherichia coli) | BDBM50347043
(CHEMBL1796225)Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCCN1C(=O)Nc1ccc(F)cc1)C=O |r| Show InChI InChI=1S/C20H27FN4O4/c21-17-6-8-18(9-7-17)22-20(28)25-11-3-10-24(25)19(27)16(13-23(29)14-26)12-15-4-1-2-5-15/h6-9,14-16,29H,1-5,10-13H2,(H,22,28)/t16-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli nickel containing peptide deformylase |
Bioorg Med Chem Lett 21: 4032-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.132
BindingDB Entry DOI: 10.7270/Q2K074M8 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase E
(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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of thrombin activated human TG3 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 2
(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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG2 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 2
(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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG2 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 2
(Mus musculus) | 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) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of mouse recombinant TG2 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)) | 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 | |
Peptide deformylase
(Escherichia coli) | BDBM50347042
(CHEMBL1796106)Show SMILES COc1cccc(NC(=O)N2CCCCN2C(=O)[C@H](CC2CCCC2)CN(O)C=O)c1 |r| Show InChI InChI=1S/C22H32N4O5/c1-31-20-10-6-9-19(14-20)23-22(29)26-12-5-4-11-25(26)21(28)18(15-24(30)16-27)13-17-7-2-3-8-17/h6,9-10,14,16-18,30H,2-5,7-8,11-13,15H2,1H3,(H,23,29)/t18-/m1/s1 | PDB
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Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli nickel containing peptide deformylase |
Bioorg Med Chem Lett 21: 4032-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.132
BindingDB Entry DOI: 10.7270/Q2K074M8 |
More data for this
Ligand-Target Pair | |
Peptide deformylase
(Escherichia coli) | BDBM50347039
(CHEMBL1796102)Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCCCN1C(=O)Nc1ccccc1)C=O |r| Show InChI InChI=1S/C21H30N4O4/c26-16-23(29)15-18(14-17-8-4-5-9-17)20(27)24-12-6-7-13-25(24)21(28)22-19-10-2-1-3-11-19/h1-3,10-11,16-18,29H,4-9,12-15H2,(H,22,28)/t18-/m1/s1 | PDB
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Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli nickel containing peptide deformylase |
Bioorg Med Chem Lett 21: 4032-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.132
BindingDB Entry DOI: 10.7270/Q2K074M8 |
More data for this
Ligand-Target Pair | |
Peptide deformylase
(Escherichia coli) | BDBM50347048
(CHEMBL1796229)Show SMILES ONC(=O)C[C@@H](CC1CCCC1)C(=O)N1CCCCN1C(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C21H30N4O4/c26-19(23-29)15-17(14-16-8-4-5-9-16)20(27)24-12-6-7-13-25(24)21(28)22-18-10-2-1-3-11-18/h1-3,10-11,16-17,29H,4-9,12-15H2,(H,22,28)(H,23,26)/t17-/m1/s1 | PDB
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Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli nickel containing peptide deformylase |
Bioorg Med Chem Lett 21: 4032-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.132
BindingDB Entry DOI: 10.7270/Q2K074M8 |
More data for this
Ligand-Target Pair | |
Peptide deformylase
(Escherichia coli) | BDBM50347028
(CHEMBL1796089)Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCCN1C(=O)c1ccc(F)cc1)C=O |r| Show InChI InChI=1S/C20H26FN3O4/c21-18-8-6-16(7-9-18)19(26)23-10-3-11-24(23)20(27)17(13-22(28)14-25)12-15-4-1-2-5-15/h6-9,14-15,17,28H,1-5,10-13H2/t17-/m1/s1 | PDB
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Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli nickel containing peptide deformylase |
Bioorg Med Chem Lett 21: 4032-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.132
BindingDB Entry DOI: 10.7270/Q2K074M8 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(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
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Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG2 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 2
(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
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Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG2 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 2
(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
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Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG2 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 2
(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
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Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG2 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 2
(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
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Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG2 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 | |
Peptide deformylase
(Escherichia coli) | BDBM50347037
(CHEMBL1796099)Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCCN1C(=O)Cc1ccccc1)C=O |r| Show InChI InChI=1S/C21H29N3O4/c25-16-22(28)15-19(13-17-9-4-5-10-17)21(27)24-12-6-11-23(24)20(26)14-18-7-2-1-3-8-18/h1-3,7-8,16-17,19,28H,4-6,9-15H2/t19-/m1/s1 | PDB
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Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli nickel containing peptide deformylase |
Bioorg Med Chem Lett 21: 4032-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.132
BindingDB Entry DOI: 10.7270/Q2K074M8 |
More data for this
Ligand-Target Pair | |
Peptide deformylase
(Escherichia coli) | BDBM50347020
(CHEMBL1796079)Show SMILES CC(C)(C)OC(=O)N1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r| Show InChI InChI=1S/C18H31N3O5/c1-18(2,3)26-17(24)21-10-6-9-20(21)16(23)15(12-19(25)13-22)11-14-7-4-5-8-14/h13-15,25H,4-12H2,1-3H3/t15-/m1/s1 | PDB
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Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli nickel containing peptide deformylase |
Bioorg Med Chem Lett 21: 4032-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.132
BindingDB Entry DOI: 10.7270/Q2K074M8 |
More data for this
Ligand-Target Pair | |
Peptide deformylase
(Escherichia coli) | BDBM50347045
(CHEMBL1796227)Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCCN1C(=O)Nc1ccc(cc1)C(F)(F)F)C=O |r| Show InChI InChI=1S/C21H27F3N4O4/c22-21(23,24)17-6-8-18(9-7-17)25-20(31)28-11-3-10-27(28)19(30)16(13-26(32)14-29)12-15-4-1-2-5-15/h6-9,14-16,32H,1-5,10-13H2,(H,25,31)/t16-/m1/s1 | PDB
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Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli nickel containing peptide deformylase |
Bioorg Med Chem Lett 21: 4032-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.132
BindingDB Entry DOI: 10.7270/Q2K074M8 |
More data for this
Ligand-Target Pair | |
Peptide deformylase
(Escherichia coli) | BDBM50347033
(CHEMBL1796095)Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCCN1C(=O)c1ccco1)C=O |r| Show InChI InChI=1S/C18H25N3O5/c22-13-19(25)12-15(11-14-5-1-2-6-14)17(23)20-8-4-9-21(20)18(24)16-7-3-10-26-16/h3,7,10,13-15,25H,1-2,4-6,8-9,11-12H2/t15-/m1/s1 | PDB
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Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli nickel containing peptide deformylase |
Bioorg Med Chem Lett 21: 4032-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.132
BindingDB Entry DOI: 10.7270/Q2K074M8 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(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
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Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG2 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 2
(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
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Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG2 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 2
(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
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG2 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 2
(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
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| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG2 by fluorescent transamidation assay |
J Med Chem 55: 1021-46 (2012)
Article DOI: 10.1021/jm201310y
BindingDB Entry DOI: 10.7270/Q2CN7560 |
More data for this
Ligand-Target Pair | |
Coagulation factor XIII A chain
(Homo sapiens (Human)) | 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
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| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of thrombin activated human F13a by fluorescent transamidation assay |
J Med Chem 55: 1021-46 (2012)
Article DOI: 10.1021/jm201310y
BindingDB Entry DOI: 10.7270/Q2CN7560 |
More data for this
Ligand-Target Pair | |
Peptide deformylase
(Escherichia coli) | BDBM50347049
(CHEMBL1796083)Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCCN1C(=O)C1CCCCC1)C=O |r| Show InChI InChI=1S/C20H33N3O4/c24-15-21(27)14-18(13-16-7-4-5-8-16)20(26)23-12-6-11-22(23)19(25)17-9-2-1-3-10-17/h15-18,27H,1-14H2/t18-/m1/s1 | PDB
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Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli nickel containing peptide deformylase |
Bioorg Med Chem Lett 21: 4032-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.132
BindingDB Entry DOI: 10.7270/Q2K074M8 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(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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| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG2 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 2
(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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG2 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 2
(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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG2 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 | |
Peptide deformylase
(Escherichia coli) | BDBM50347026
(CHEMBL1796087)Show SMILES COc1ccc(cc1)C(=O)N1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r| Show InChI InChI=1S/C21H29N3O5/c1-29-19-9-7-17(8-10-19)20(26)23-11-4-12-24(23)21(27)18(14-22(28)15-25)13-16-5-2-3-6-16/h7-10,15-16,18,28H,2-6,11-14H2,1H3/t18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli nickel containing peptide deformylase |
Bioorg Med Chem Lett 21: 4032-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.132
BindingDB Entry DOI: 10.7270/Q2K074M8 |
More data for this
Ligand-Target Pair | |
Coagulation factor XIII A chain
(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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of thrombin activated human F13a by fluorescent transamidation assay |
J Med Chem 55: 1021-46 (2012)
Article DOI: 10.1021/jm201310y
BindingDB Entry DOI: 10.7270/Q2CN7560 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG2 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 2
(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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG2 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 2
(Homo sapiens (Human)) | BDBM50420510
(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) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG2 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 2
(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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG2 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 2
(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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG2 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 | |
Peptide deformylase
(Escherichia coli) | BDBM50347022
(CHEMBL1796081)Show SMILES COCC(=O)N1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r| Show InChI InChI=1S/C16H27N3O5/c1-24-11-15(21)18-7-4-8-19(18)16(22)14(10-17(23)12-20)9-13-5-2-3-6-13/h12-14,23H,2-11H2,1H3/t14-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli nickel containing peptide deformylase |
Bioorg Med Chem Lett 21: 4032-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.132
BindingDB Entry DOI: 10.7270/Q2K074M8 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG2 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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