BDBM50374223 CHEMBL403253

SMILES: CCCCCN1C[C@H]([C@H](C2CCCC2)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1

InChI Key: InChIKey=GEZOBYGDQAVHMG-WGNKJVRNSA-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 = 50374223   

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))	BDBM50374223 (CHEMBL403253) Show SMILES CCCCCN1C[C@H]([C@H](C2CCCC2)C1=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/C35H47F2N3O4/c1-2-3-9-14-40-21-29(32(35(40)43)25-12-7-8-13-25)34(42)39-31(17-24-15-26(36)18-27(37)16-24)33(41)30-19-28(20-38-30)44-22-23-10-5-4-6-11-23/h4-6,10-11,15-16,18,25,28-33,38,41H,2-3,7-9,12-14,17,19-22H2,1H3,(H,39,42)/t28-,29-,30-,31+,32+,33-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.25E+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))	BDBM50374223 (CHEMBL403253) Show SMILES CCCCCN1C[C@H]([C@H](C2CCCC2)C1=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/C35H47F2N3O4/c1-2-3-9-14-40-21-29(32(35(40)43)25-12-7-8-13-25)34(42)39-31(17-24-15-26(36)18-27(37)16-24)33(41)30-19-28(20-38-30)44-22-23-10-5-4-6-11-23/h4-6,10-11,15-16,18,25,28-33,38,41H,2-3,7-9,12-14,17,19-22H2,1H3,(H,39,42)/t28-,29-,30-,31+,32+,33-/m1/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	295	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