null
SMILES: [H][C@@]12CC=CC[C@]1([H])C(=O)N(CC(=O)Nc1ccccc1Sc1ccc(Cl)cc1)C2=O
InChI Key: InChIKey=IPCVEOIOJGVJOY-CALCHBBNSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Trypanothione reductase (Trypanosoma brucei brucei) | BDBM28350 (2-[(3aR,7aS)-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | 7.5 | 22 |
University of Alberta | Assay Description Inhibition of TryR was carried out in 96-well plates using a Biotek Precision 2000 automated liquid handler. Reaction was initiated by addition of NA... | J Med Chem 52: 1670-80 (2009) Article DOI: 10.1021/jm801306g BindingDB Entry DOI: 10.7270/Q2K35S0B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypanothione reductase (Trypanosoma cruzi) | BDBM28350 (2-[(3aR,7aS)-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | 7.5 | 22 |
University of Alberta | Assay Description Inhibition of TryR was carried out in 96-well plates using a Biotek Precision 2000 automated liquid handler. Reaction was initiated by addition of NA... | J Med Chem 52: 1670-80 (2009) Article DOI: 10.1021/jm801306g BindingDB Entry DOI: 10.7270/Q2K35S0B | |||||||||||
More data for this Ligand-Target Pair |