BDBM50398631 CHEMBL2177486

SMILES: COc1cccc(CN2CC[C@]3(CNS(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1

InChI Key: InChIKey=YEHAWYCEGPOXCV-HRAATJIYSA-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 = 50398631   

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398631 (CHEMBL2177486) Show SMILES COc1cccc(CN2CC[C@]3(CNS(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 |r| Show InChI InChI=1S/C21H26FN3O3S/c1-16-13-21(9-10-24(16)14-17-5-3-8-20(11-17)28-2)15-23-29(26,27)25(21)19-7-4-6-18(22)12-19/h3-8,11-12,16,23H,9-10,13-15H2,1-2H3/t16-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using K(biotin)RGLTTRPGSGLTNIKTEEISEVNLDAEFRHDSGA as substrate after 1 hr by ELISA				J Med Chem 55: 9224-39 (2012) Article DOI: 10.1021/jm3009426 BindingDB Entry DOI: 10.7270/Q22F7PK8
					More data for this Ligand-Target Pair