BDBM50498596 CHEMBL3609622

SMILES: COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2ccccc2NC1=O

InChI Key: InChIKey=JEZPTRWWXISMOA-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 = 50498596   

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))	BDBM50498596 (CHEMBL3609622) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2ccccc2NC1=O Show InChI InChI=1S/C23H22N6O2/c1-15-12-28(14-24-15)20-9-8-17(11-22(20)31-2)19-13-29(27-26-19)21-10-7-16-5-3-4-6-18(16)25-23(21)30/h3-6,8-9,11-14,21H,7,10H2,1-2H3,(H,25,30)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.72E+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)	BDBM50498596 (CHEMBL3609622) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2ccccc2NC1=O Show InChI InChI=1S/C23H22N6O2/c1-15-12-28(14-24-15)20-9-8-17(11-22(20)31-2)19-13-29(27-26-19)21-10-7-16-5-3-4-6-18(16)25-23(21)30/h3-6,8-9,11-14,21H,7,10H2,1-2H3,(H,25,30)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.76E+4	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))	BDBM50498596 (CHEMBL3609622) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCc2ccccc2NC1=O Show InChI InChI=1S/C23H22N6O2/c1-15-12-28(14-24-15)20-9-8-17(11-22(20)31-2)19-13-29(27-26-19)21-10-7-16-5-3-4-6-18(16)25-23(21)30/h3-6,8-9,11-14,21H,7,10H2,1-2H3,(H,25,30)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	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