BDBM50397265 CHEMBL2169939

SMILES: Cc1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1

InChI Key: InChIKey=STUBOTPNCNDBOA-ROUUACIJSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50397265   

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))	BDBM50397265 (CHEMBL2169939) Show SMILES Cc1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 |r| Show InChI InChI=1S/C21H21N3O/c1-13-4-3-5-16(10-13)14-6-8-15(9-7-14)17-11-18(17)19-12-20(25)24(2)21(22)23-19/h3-10,12,17-18H,11H2,1-2H3,(H2,22,23)/t17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 3 hrs by HTRF assay				J Med Chem 55: 8838-58 (2012) Article DOI: 10.1021/jm3011405 BindingDB Entry DOI: 10.7270/Q2W66MXK
					More data for this Ligand-Target Pair				3D Structure (crystal)