BDBM50114839 CHEMBL3609756
SMILES: Cc1cn(cn1)-c1ccc(cc1C#N)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O
InChI Key: InChIKey=KCFJHISVJIDCGI-QHCPKHFHSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50114839 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)) | BDBM50114839
(CHEMBL3609756)Show SMILES Cc1cn(cn1)-c1ccc(cc1C#N)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C25H19F4N7O/c1-15-11-34(14-31-15)21-7-5-16(9-17(21)10-30)20-12-36(33-32-20)23-8-6-18-19(26)3-2-4-22(18)35(24(23)37)13-25(27,28)29/h2-5,7,9,11-12,14,23H,6,8,13H2,1H3/t23-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 50 | 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)) | BDBM50114839
(CHEMBL3609756)Show SMILES Cc1cn(cn1)-c1ccc(cc1C#N)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C25H19F4N7O/c1-15-11-34(14-31-15)21-7-5-16(9-17(21)10-30)20-12-36(33-32-20)23-8-6-18-19(26)3-2-4-22(18)35(24(23)37)13-25(27,28)29/h2-5,7,9,11-12,14,23H,6,8,13H2,1H3/t23-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 380 | 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 | |