BDBM50114796 CHEMBL3608380

SMILES: COc1cc(ccc1-c1sc(C)nc1C)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O

InChI Key: InChIKey=HFAIDWHNSPXAQE-QFIPXVFZSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50114796   

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))	BDBM50114796 (CHEMBL3608380) Show SMILES COc1cc(ccc1-c1sc(C)nc1C)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C26H23F4N5O2S/c1-14-24(38-15(2)31-14)18-8-7-16(11-23(18)37-3)20-12-35(33-32-20)22-10-9-17-19(27)5-4-6-21(17)34(25(22)36)13-26(28,29)30/h4-8,11-12,22H,9-10,13H2,1-3H3/t22-/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	70	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))	BDBM50114796 (CHEMBL3608380) Show SMILES COc1cc(ccc1-c1sc(C)nc1C)-c1cn(nn1)[C@H]1CCc2c(F)cccc2N(CC(F)(F)F)C1=O |r| Show InChI InChI=1S/C26H23F4N5O2S/c1-14-24(38-15(2)31-14)18-8-7-16(11-23(18)37-3)20-12-35(33-32-20)22-10-9-17-19(27)5-4-6-21(17)34(25(22)36)13-26(28,29)30/h4-8,11-12,22H,9-10,13H2,1-3H3/t22-/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	28	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