BDBM31794 2-aminobenzimidazole deriv., 4::5-Chloro-1H-benzoimidazol-2-ylamine::5-chloro-1H-benzo[d]imidazol-2-amine::6-chloro-1H-benzimidazol-2-amine::6-chloro-1H-benzo[d]imidazol-2-amine::CHEMBL269158
SMILES: Nc1nc2ccc(Cl)cc2[nH]1
InChI Key: InChIKey=PDOCNPCPPLPXRV-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Pteridine Reductase 1 (PTR1) (Trypanosoma brucei brucei) | BDBM31794 (2-aminobenzimidazole deriv., 4 | 5-Chloro-1H-benzo...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 1.06E+4 | -6.74 | 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) | ||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM31794 (2-aminobenzimidazole deriv., 4 | 5-Chloro-1H-benzo...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 7.31E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec UK Ltd Curated by ChEMBL | Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay | Bioorg Med Chem Lett 20: 5329-33 (2010) Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7 | |||||||||||
More data for this Ligand-Target Pair |