BDBM50498584 CHEMBL3609641

SMILES: COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2cccnc2N(CC(F)(F)F)C1=O

InChI Key: InChIKey=SWABPIOJBAZFDP-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50498584   

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))	BDBM50498584 (CHEMBL3609641) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2cccnc2N(CC(F)(F)F)C1=O Show InChI InChI=1S/C24H22F3N7O2/c1-15-11-32(14-29-15)19-7-6-17(10-21(19)36-2)18-12-34(31-30-18)20-8-5-16-4-3-9-28-22(16)33(23(20)35)13-24(25,26)27/h3-4,6-7,9-12,14,20H,5,8,13H2,1-2H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Boston Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human SH-SY5Y cells expressing beta-APP C-terminal fragment SPA4CT assessed as decrease of amyloid beta-42 level by ...				Bioorg Med Chem Lett 25: 3488-94 (2015) Article DOI: 10.1016/j.bmcl.2015.07.003 BindingDB Entry DOI: 10.7270/Q2MG7SHX
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50498584 (CHEMBL3609641) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2cccnc2N(CC(F)(F)F)C1=O Show InChI InChI=1S/C24H22F3N7O2/c1-15-11-32(14-29-15)19-7-6-17(10-21(19)36-2)18-12-34(31-30-18)20-8-5-16-4-3-9-28-22(16)33(23(20)35)13-24(25,26)27/h3-4,6-7,9-12,14,20H,5,8,13H2,1-2H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Boston Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human SH-SY5Y cells expressing beta-APP C-terminal fragment SPA4CT assessed as decrease of amyloid beta-40 level by ...				Bioorg Med Chem Lett 25: 3488-94 (2015) Article DOI: 10.1016/j.bmcl.2015.07.003 BindingDB Entry DOI: 10.7270/Q2MG7SHX
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50498584 (CHEMBL3609641) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2cccnc2N(CC(F)(F)F)C1=O Show InChI InChI=1S/C24H22F3N7O2/c1-15-11-32(14-29-15)19-7-6-17(10-21(19)36-2)18-12-34(31-30-18)20-8-5-16-4-3-9-28-22(16)33(23(20)35)13-24(25,26)27/h3-4,6-7,9-12,14,20H,5,8,13H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Boston Curated by ChEMBL					Assay Description Binding affinity to human ERG expressed in HEK cells by MK-499 radioligand displacement assay				Bioorg Med Chem Lett 25: 3488-94 (2015) Article DOI: 10.1016/j.bmcl.2015.07.003 BindingDB Entry DOI: 10.7270/Q2MG7SHX
					More data for this Ligand-Target Pair