BDBM50158002 2-(Benzyl-methyl-amino)-N-[13-(5-chloro-thiophene-2-sulfonylamino)-tricyclo[8.2.1.0*3,8*]trideca-3(8),4,6-trien-5-yl]-acetamide::CHEMBL181519

SMILES: CN(CC(=O)Nc1ccc2CC3CCC(Cc2c1)C3NS(=O)(=O)c1ccc(Cl)s1)Cc1ccccc1

InChI Key: InChIKey=CEJNNUYHMGALHW-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 = 50158002   

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))	BDBM50158002 (2-(Benzyl-methyl-amino)-N-[13-(5-chloro-thiophene-...) Show SMILES CN(CC(=O)Nc1ccc2CC3CCC(Cc2c1)C3NS(=O)(=O)c1ccc(Cl)s1)Cc1ccccc1 |TLB:17:16:18:12.13,8:9:18:12.13,THB:19:18:16.9.15.10:12.13| Show InChI InChI=1S/C27H30ClN3O3S2/c1-31(16-18-5-3-2-4-6-18)17-25(32)29-23-10-9-19-13-20-7-8-21(14-22(19)15-23)27(20)30-36(33,34)26-12-11-24(28)35-26/h2-6,9-12,15,20-21,27,30H,7-8,13-14,16-17H2,1H3,(H,29,32)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	226	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells				Bioorg Med Chem Lett 15: 373-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.062 BindingDB Entry DOI: 10.7270/Q2445KZQ
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