Found 2 hits Enz. Inhib. hit(s) with Target = 'Protein-glutamine gamma-glutamyltransferase 2' and Ligand = 'BDBM50241217' 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 2
(Homo sapiens (Human)) | BDBM50241217
(CHEMBL4099998)Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCOCCOCCNC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C35H47N5O8S/c1-4-33(41)36-19-9-8-16-30(39-35(43)48-26-27-12-6-5-7-13-27)34(42)37-20-22-46-24-25-47-23-21-38-49(44,45)32-18-11-14-28-29(32)15-10-17-31(28)40(2)3/h4-7,10-15,17-18,30,38H,1,8-9,16,19-26H2,2-3H3,(H,36,41)(H,37,42)(H,39,43)/t30-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114172 BindingDB Entry DOI: 10.7270/Q2K64P4J |
More data for this Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50241217
(CHEMBL4099998)Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCOCCOCCNC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C35H47N5O8S/c1-4-33(41)36-19-9-8-16-30(39-35(43)48-26-27-12-6-5-7-13-27)34(42)37-20-22-46-24-25-47-23-21-38-49(44,45)32-18-11-14-28-29(32)15-10-17-31(28)40(2)3/h4-7,10-15,17-18,30,38H,1,8-9,16,19-26H2,2-3H3,(H,36,41)(H,37,42)(H,39,43)/t30-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 3.39E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ottawa
Curated by ChEMBL
| Assay Description Irreversible inhibition of human TG2 using AL5 as substrate by colorimetric assay |
J Med Chem 60: 7910-7927 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01070 BindingDB Entry DOI: 10.7270/Q2CN7615 |
More data for this Ligand-Target Pair | |