BDBM50533525 CHEMBL4551156

SMILES: CC(C)n1nc2CCCc2c1Nc1nc(cs1)-c1ccc(c(F)c1)-n1cnc(C)c1

InChI Key: InChIKey=RPHWSLBXUOMLGT-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50533525   

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
Presenilin-1 (Homo sapiens (Human))	BDBM50533525 (CHEMBL4551156) Show SMILES CC(C)n1nc2CCCc2c1Nc1nc(cs1)-c1ccc(c(F)c1)-n1cnc(C)c1 Show InChI InChI=1S/C22H23FN6S/c1-13(2)29-21(16-5-4-6-18(16)27-29)26-22-25-19(11-30-22)15-7-8-20(17(23)9-15)28-10-14(3)24-12-28/h7-13H,4-6H2,1-3H3,(H,25,26)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011
					More data for this Ligand-Target Pair