BDBM26496 N-[5-({6-[2-(dimethylamino)phenyl]pyrimidin-4-yl}amino)-2-methylphenyl]methanesulfonamide::aminopyrimidine, 4
SMILES: CN(C)c1ccccc1-c1cc(Nc2ccc(C)c(NS(C)(=O)=O)c2)ncn1
InChI Key: InChIKey=UXXNJEXDZVELKD-UHFFFAOYSA-N
Data: 1 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 |
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Beta-secretase 1 (Homo sapiens (Human)) | BDBM26496 (N-[5-({6-[2-(dimethylamino)phenyl]pyrimidin-4-yl}a...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.17E+5 | n/a | n/a | n/a | n/a | 4.5 | 22 |
Merck Research Laboratories | Assay Description The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. After the reaction was terminated, the solution wa... | Bioorg Med Chem Lett 19: 17-20 (2009) Article DOI: 10.1016/j.bmcl.2008.11.027 BindingDB Entry DOI: 10.7270/Q22J696F | |||||||||||
More data for this Ligand-Target Pair |