BDBM50200155 (S)-quinolin-3-ylmethyl 1-((3-bromo-4,5-dihydroisoxazol-5-yl)methylamino)-3-(5-fluoro-1H-indol-3-yl)-1-oxopropan-2-ylcarbamate::CHEMBL384038
SMILES: Fc1ccc2[nH]cc(C[C@H](NC(=O)OCc3cnc4ccccc4c3)C(=O)NCC3CC(Br)=NO3)c2c1
InChI Key: InChIKey=SUDBOOMQYSPULE-BVHINDKJSA-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)) | BDBM50200155 ((S)-quinolin-3-ylmethyl 1-((3-bromo-4,5-dihydroiso...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.00E+3 | 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 |