BDBM50114798 CHEMBL3608381
SMILES: COc1cc(ccc1-c1ccnc(C)c1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O
InChI Key: InChIKey=CHJURRSPZPJQDD-DEOSSOPVSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50114798 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)) | BDBM50114798
(CHEMBL3608381)Show SMILES COc1cc(ccc1-c1ccnc(C)c1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C27H23F4N5O2/c1-16-12-17(10-11-32-16)19-7-6-18(13-25(19)38-2)22-14-36(34-33-22)24-9-8-20-21(28)4-3-5-23(20)35(26(24)37)15-27(29,30)31/h3-7,10-14,24H,8-9,15H2,1-2H3/t24-/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 | 18 | 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)) | BDBM50114798
(CHEMBL3608381)Show SMILES COc1cc(ccc1-c1ccnc(C)c1)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C27H23F4N5O2/c1-16-12-17(10-11-32-16)19-7-6-18(13-25(19)38-2)22-14-36(34-33-22)24-9-8-20-21(28)4-3-5-23(20)35(26(24)37)15-27(29,30)31/h3-7,10-14,24H,8-9,15H2,1-2H3/t24-/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 | 8 | 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 | |