BDBM50114840 CHEMBL3608389
SMILES: Cc1cn(cn1)-c1ccc(cn1)-c1cn(nn1)C1CCc2c(F)cccc2N(CC(F)(F)F)C1=O
InChI Key: InChIKey=BQUQVJAHQWKROE-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50114840 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 |
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2
(Homo sapiens (Human)) | BDBM50114840
(CHEMBL3608389)Show SMILES Cc1cn(cn1)-c1ccc(cn1)-c1cn(nn1)C1CCc2c(F)cccc2N(CC(F)(F)F)C1=O Show InChI InChI=1S/C23H19F4N7O/c1-14-10-32(13-29-14)21-8-5-15(9-28-21)18-11-34(31-30-18)20-7-6-16-17(24)3-2-4-19(16)33(22(20)35)12-23(25,26)27/h2-5,8-11,13,20H,6-7,12H2,1H3 | PDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid be... |
Bioorg Med Chem Lett 25: 3495-500 (2015)
BindingDB Entry DOI: 10.7270/Q2125VFP |
More data for this Ligand-Target Pair | |
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2
(Homo sapiens (Human)) | BDBM50114840
(CHEMBL3608389)Show SMILES Cc1cn(cn1)-c1ccc(cn1)-c1cn(nn1)C1CCc2c(F)cccc2N(CC(F)(F)F)C1=O Show InChI InChI=1S/C23H19F4N7O/c1-14-10-32(13-29-14)21-8-5-15(9-28-21)18-11-34(31-30-18)20-7-6-16-17(24)3-2-4-19(16)33(22(20)35)12-23(25,26)27/h2-5,8-11,13,20H,6-7,12H2,1H3 | PDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 3.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid be... |
Bioorg Med Chem Lett 25: 3495-500 (2015)
BindingDB Entry DOI: 10.7270/Q2125VFP |
More data for this Ligand-Target Pair | |