BDBM50372983 CHEMBL255750

SMILES: CCc1cc(CCN)ccc1O

InChI Key: InChIKey=LDAFQVRTSOETPE-UHFFFAOYSA-N

Data: 1 Kd

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 = 50372983   

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))	BDBM50372983 (CHEMBL255750) Show SMILES CCc1cc(CCN)ccc1O Show InChI InChI=1S/C10H15NO/c1-2-9-7-8(5-6-11)3-4-10(9)12/h3-4,7,12H,2,5-6,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	n/a	n/a	n/a	6.60E+5	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Curated by ChEMBL					Assay Description Binding affinity to BACE1 by surface plasmon resonance method				Bioorg Med Chem Lett 18: 1304-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.032 BindingDB Entry DOI: 10.7270/Q2Z60PW9
					More data for this Ligand-Target Pair				3D Structure (crystal)