Found 3 hits for monomerid = 50444513 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Coagulation factor XIII
(Homo sapiens (Human)) | BDBM50444513
(CHEMBL3092841)Show SMILES CCOC(=O)\C=C\CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)OC |r| Show InChI InChI=1S/C34H50N4O9/c1-7-46-28(39)18-12-11-16-25(36-34(44)47-21-24-14-9-8-10-15-24)30(40)37-29(23(4)5)32(42)38-19-13-17-27(38)31(41)35-26(20-22(2)3)33(43)45-6/h8-10,12,14-15,18,22-23,25-27,29H,7,11,13,16-17,19-21H2,1-6H3,(H,35,41)(H,36,44)(H,37,40)/b18-12+/t25-,26-,27-,29-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of factor13a (unknown origin) |
Bioorg Med Chem Lett 23: 6528-43 (2014)
BindingDB Entry DOI: 10.7270/Q2K64KJP |
More data for this Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2 (TG2)
(Homo sapiens (Human)) | BDBM50444513
(CHEMBL3092841)Show SMILES CCOC(=O)\C=C\CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)OC |r| Show InChI InChI=1S/C34H50N4O9/c1-7-46-28(39)18-12-11-16-25(36-34(44)47-21-24-14-9-8-10-15-24)30(40)37-29(23(4)5)32(42)38-19-13-17-27(38)31(41)35-26(20-22(2)3)33(43)45-6/h8-10,12,14-15,18,22-23,25-27,29H,7,11,13,16-17,19-21H2,1-6H3,(H,35,41)(H,36,44)(H,37,40)/b18-12+/t25-,26-,27-,29-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF)
Curated by ChEMBL
| Assay Description Inhibition of human TG2 using glycine methyl ester/Abz-APE as substrate after 5 mins |
J Med Chem 60: 554-567 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01036 BindingDB Entry DOI: 10.7270/Q2F47RKD |
More data for this Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2 (TG2)
(Homo sapiens (Human)) | BDBM50444513
(CHEMBL3092841)Show SMILES CCOC(=O)\C=C\CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)OC |r| Show InChI InChI=1S/C34H50N4O9/c1-7-46-28(39)18-12-11-16-25(36-34(44)47-21-24-14-9-8-10-15-24)30(40)37-29(23(4)5)32(42)38-19-13-17-27(38)31(41)35-26(20-22(2)3)33(43)45-6/h8-10,12,14-15,18,22-23,25-27,29H,7,11,13,16-17,19-21H2,1-6H3,(H,35,41)(H,36,44)(H,37,40)/b18-12+/t25-,26-,27-,29-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of human TGase2 |
Bioorg Med Chem Lett 23: 6528-43 (2014)
BindingDB Entry DOI: 10.7270/Q2K64KJP |
More data for this Ligand-Target Pair | |