BDBM50498580 CHEMBL3609638

SMILES: COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2c(F)cc(F)cc2N(CC(F)(F)F)C1=O

InChI Key: InChIKey=GDJGWHBXDHGOBF-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 = 50498580   

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))	BDBM50498580 (CHEMBL3609638) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2c(F)cc(F)cc2N(CC(F)(F)F)C1=O Show InChI InChI=1S/C25H21F5N6O2/c1-14-10-34(13-31-14)20-5-3-15(7-23(20)38-2)19-11-36(33-32-19)21-6-4-17-18(27)8-16(26)9-22(17)35(24(21)37)12-25(28,29)30/h3,5,7-11,13,21H,4,6,12H2,1-2H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	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)	BDBM50498580 (CHEMBL3609638) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2c(F)cc(F)cc2N(CC(F)(F)F)C1=O Show InChI InChI=1S/C25H21F5N6O2/c1-14-10-34(13-31-14)20-5-3-15(7-23(20)38-2)19-11-36(33-32-19)21-6-4-17-18(27)8-16(26)9-22(17)35(24(21)37)12-25(28,29)30/h3,5,7-11,13,21H,4,6,12H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.83E+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
Presenilin-1 (Homo sapiens (Human))	BDBM50498580 (CHEMBL3609638) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2c(F)cc(F)cc2N(CC(F)(F)F)C1=O Show InChI InChI=1S/C25H21F5N6O2/c1-14-10-34(13-31-14)20-5-3-15(7-23(20)38-2)19-11-36(33-32-19)21-6-4-17-18(27)8-16(26)9-22(17)35(24(21)37)12-25(28,29)30/h3,5,7-11,13,21H,4,6,12H2,1-2H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	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