BDBM50400644 CHEMBL2203460
SMILES: C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCOCC1
InChI Key: InChIKey=HGLGZIJXALQEFZ-SFHVURJKSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50400644 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 |
Protein-glutamine gamma-glutamyltransferase 2 (TG2)
(Homo sapiens (Human)) | BDBM50400644
(CHEMBL2203460)Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C21H29N3O5/c1-2-19(25)22-11-7-6-10-18(20(26)24-12-14-28-15-13-24)23-21(27)29-16-17-8-4-3-5-9-17/h2-5,8-9,18H,1,6-7,10-16H2,(H,22,25)(H,23,27)/t18-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.89E+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 | |
Protein-glutamine gamma-glutamyltransferase 2 (TG2)
(Homo sapiens (Human)) | BDBM50400644
(CHEMBL2203460)Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C21H29N3O5/c1-2-19(25)22-11-7-6-10-18(20(26)24-12-14-28-15-13-24)23-21(27)29-16-17-8-4-3-5-9-17/h2-5,8-9,18H,1,6-7,10-16H2,(H,22,25)(H,23,27)/t18-/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 | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Irreversible inhibition of transglutaminase 2 |
ACS Med Chem Lett 3: 1024-1028 (2012)
Article DOI: 10.1021/ml300241m BindingDB Entry DOI: 10.7270/Q2TB1823 |
More data for this Ligand-Target Pair | |