BDBM50374231 CHEMBL428952

SMILES: CCOCCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1

InChI Key: InChIKey=HMAQOZURTYPAJX-NAWJDLSISA-N

Data: 2 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 2 hits for monomerid = 50374231   

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 2 (Homo sapiens (Human))	BDBM50374231 (CHEMBL428952) Show SMILES CCOCCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C30H39F2N3O5/c1-2-39-10-6-9-35-18-22(14-28(35)36)30(38)34-27(13-21-11-23(31)15-24(32)12-21)29(37)26-16-25(17-33-26)40-19-20-7-4-3-5-8-20/h3-5,7-8,11-12,15,22,25-27,29,33,37H,2,6,9-10,13-14,16-19H2,1H3,(H,34,38)/t22-,25+,26+,27-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE2				Bioorg Med Chem Lett 18: 418-22 (2008) Article DOI: 10.1016/j.bmcl.2007.10.053 BindingDB Entry DOI: 10.7270/Q2P84CRH
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50374231 (CHEMBL428952) Show SMILES CCOCCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C30H39F2N3O5/c1-2-39-10-6-9-35-18-22(14-28(35)36)30(38)34-27(13-21-11-23(31)15-24(32)12-21)29(37)26-16-25(17-33-26)40-19-20-7-4-3-5-8-20/h3-5,7-8,11-12,15,22,25-27,29,33,37H,2,6,9-10,13-14,16-19H2,1H3,(H,34,38)/t22-,25+,26+,27-,29+/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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 18: 418-22 (2008) Article DOI: 10.1016/j.bmcl.2007.10.053 BindingDB Entry DOI: 10.7270/Q2P84CRH
					More data for this Ligand-Target Pair