BDBM50200147 CHEMBL410077::[1-[(3-bromo-4,5-dihydroisoxazol-5-ylmethyl)carbamoyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]carbamic acid benzyl ester
SMILES: BrC1=NOC(CNC(=O)C(Cc2c[nH]c3ncccc23)NC(=O)OCc2ccccc2)C1
InChI Key: InChIKey=RAESMYVKYOFPGB-UHFFFAOYSA-N
Data: 1 KI
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)) | BDBM50200147 (CHEMBL410077 | [1-[(3-bromo-4,5-dihydroisoxazol-5-...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Stanford University Curated by ChEMBL | Assay Description Inhibition of human recombinant TG2 expressed in Escherichia coli | J Med Chem 49: 7493-501 (2006) Article DOI: 10.1021/jm060839a BindingDB Entry DOI: 10.7270/Q2280771 | |||||||||||
More data for this Ligand-Target Pair |