BDBM50114797 CHEMBL3608394
SMILES: COc1cc(ccc1-c1nnc(C)o1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O
InChI Key: InChIKey=MGGDXQKIOSVHIB-FQEVSTJZSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50114797 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)) | BDBM50114797
(CHEMBL3608394)Show SMILES COc1cc(ccc1-c1nnc(C)o1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C24H20F4N6O3/c1-13-29-31-22(37-13)16-7-6-14(10-21(16)36-2)18-11-34(32-30-18)20-9-8-15-17(25)4-3-5-19(15)33(23(20)35)12-24(26,27)28/h3-7,10-11,20H,8-9,12H2,1-2H3/t20-/m0/s1 | 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 | 2.32E+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 | |
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)) | BDBM50114797
(CHEMBL3608394)Show SMILES COc1cc(ccc1-c1nnc(C)o1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C24H20F4N6O3/c1-13-29-31-22(37-13)16-7-6-14(10-21(16)36-2)18-11-34(32-30-18)20-9-8-15-17(25)4-3-5-19(15)33(23(20)35)12-24(26,27)28/h3-7,10-11,20H,8-9,12H2,1-2H3/t20-/m0/s1 | 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 | 270 | 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 | |