BDBM50258280 4-(2-(2-methoxy-5-nitrophenyl)-1-(4-methoxyphenyl)ethyl)-1-methyl-1H-imidazol-2-amine::CHEMBL494186
SMILES: COc1ccc(cc1)C(Cc1cc(ccc1OC)[N+]([O-])=O)c1cn(C)c(N)n1
InChI Key: InChIKey=LWIYEMOOCOORBX-UHFFFAOYSA-N
Data: 3 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50258280 (4-(2-(2-methoxy-5-nitrophenyl)-1-(4-methoxyphenyl)...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 470 | n/a | n/a | n/a | n/a | 6.5 | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of BACE1 (unknown origin) at pH 6.5 | Bioorg Med Chem Lett 19: 2977-80 (2009) Article DOI: 10.1016/j.bmcl.2009.04.033 BindingDB Entry DOI: 10.7270/Q2XS5V96 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50258280 (4-(2-(2-methoxy-5-nitrophenyl)-1-(4-methoxyphenyl)...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of BACE-1 | Bioorg Med Chem Lett 19: 4993-5 (2009) Article DOI: 10.1016/j.bmcl.2009.07.071 BindingDB Entry DOI: 10.7270/Q2Z31ZP8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50258280 (4-(2-(2-methoxy-5-nitrophenyl)-1-(4-methoxyphenyl)...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of BACE1 (unknown origin) by sAPP_NF cell based assay | Bioorg Med Chem Lett 19: 2977-80 (2009) Article DOI: 10.1016/j.bmcl.2009.04.033 BindingDB Entry DOI: 10.7270/Q2XS5V96 | |||||||||||
More data for this Ligand-Target Pair |