BDBM50114843 CHEMBL3609758

SMILES: COc1nc(ncc1-c1cn(nn1)C1CCc2c(F)cccc2N(CC(F)(F)F)C1=O)-n1cnc(C)c1

InChI Key: InChIKey=PUPGDBNPENFDOY-UHFFFAOYSA-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 = 50114843   

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))	BDBM50114843 (CHEMBL3609758) Show SMILES COc1nc(ncc1-c1cn(nn1)C1CCc2c(F)cccc2N(CC(F)(F)F)C1=O)-n1cnc(C)c1 Show InChI InChI=1S/C23H20F4N8O2/c1-13-9-33(12-29-13)22-28-8-15(20(30-22)37-2)17-10-35(32-31-17)19-7-6-14-16(24)4-3-5-18(14)34(21(19)36)11-23(25,26)27/h3-5,8-10,12,19H,6-7,11H2,1-2H3	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	260	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))	BDBM50114843 (CHEMBL3609758) Show SMILES COc1nc(ncc1-c1cn(nn1)C1CCc2c(F)cccc2N(CC(F)(F)F)C1=O)-n1cnc(C)c1 Show InChI InChI=1S/C23H20F4N8O2/c1-13-9-33(12-29-13)22-28-8-15(20(30-22)37-2)17-10-35(32-31-17)19-7-6-14-16(24)4-3-5-18(14)34(21(19)36)11-23(25,26)27/h3-5,8-10,12,19H,6-7,11H2,1-2H3	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	1.64E+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