BDBM31801 2-aminobenzimidazole deriv., 12
SMILES: Nc1nc2cccc(-c3ccccc3)c2n1Cc1ccc(Cl)c(Cl)c1
InChI Key: InChIKey=JFVMZMBFRZPOFF-UHFFFAOYSA-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 |
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Pteridine Reductase 1 (PTR1) (Trypanosoma brucei brucei) | BDBM31801 (2-aminobenzimidazole deriv., 12) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem | MMDB PDB Article PubMed | 7 | -11.0 | n/a | n/a | n/a | n/a | n/a | 6.0 | 23 |
University of Dundee | Assay Description TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob... | J Med Chem 52: 4454-65 (2009) Article DOI: 10.1021/jm900414x BindingDB Entry DOI: 10.7270/Q28050X3 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |