BDBM29794 sulfonamide tricyclic analogue, 5
SMILES: CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1
InChI Key: InChIKey=OSAYNAICIRJYGY-RPLLCQBOSA-N
Data: 3 IC50
PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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)) | BDBM29794 (sulfonamide tricyclic analogue, 5) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5 | n/a | n/a | n/a | n/a | 4.5 | 22 |
GSK | Assay Description Enzyme activity and inhibition were assayed using a fluorescent FAM-[SEVNLDAEFK]-TAMRA substrate. Control reactions with no enzyme were included in e... | Bioorg Med Chem Lett 19: 3674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.149 BindingDB Entry DOI: 10.7270/Q25H7DKK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM29794 (sulfonamide tricyclic analogue, 5) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK | Assay Description Enzyme activity and inhibition were assayed using a fluorescent FAM-[SEVNLDAEFK]-TAMRA substrate. Control reactions with no enzyme were included in e... | Bioorg Med Chem Lett 19: 3674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.149 BindingDB Entry DOI: 10.7270/Q25H7DKK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 2 (Homo sapiens (Human)) | BDBM29794 (sulfonamide tricyclic analogue, 5) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK | Assay Description Enzyme activity and inhibition were assayed using a fluorescent FAM-[SEVNLDAEFK]-TAMRA substrate. Control reactions with no enzyme were included in e... | Bioorg Med Chem Lett 19: 3674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.149 BindingDB Entry DOI: 10.7270/Q25H7DKK | |||||||||||
More data for this Ligand-Target Pair |