BDBM50372189 CHEMBL399979

SMILES: CCCCO[C@H]1CCN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(C)cc(c1)C(=O)N(CCC)CCC

InChI Key: InChIKey=KFFGTGJROQQPNX-XFBWMNOSSA-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 = 50372189   

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))	BDBM50372189 (CHEMBL399979) Show SMILES CCCCO[C@H]1CCN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(C)cc(c1)C(=O)N(CCC)CCC Show InChI InChI=1S/C33H47F2N3O4/c1-5-8-13-42-28-9-10-36-29(21-28)31(39)30(18-23-16-26(34)20-27(35)17-23)37-32(40)24-14-22(4)15-25(19-24)33(41)38(11-6-2)12-7-3/h14-17,19-20,28-31,36,39H,5-13,18,21H2,1-4H3,(H,37,40)/t28-,29+,30-,31+/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	160	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human BACE1 assessed as amyloid beta 40 production in human HEK293 cells by ELISA				Bioorg Med Chem Lett 18: 414-7 (2008) Article DOI: 10.1016/j.bmcl.2007.10.116 BindingDB Entry DOI: 10.7270/Q2RV0PJH
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50372189 (CHEMBL399979) Show SMILES CCCCO[C@H]1CCN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(C)cc(c1)C(=O)N(CCC)CCC Show InChI InChI=1S/C33H47F2N3O4/c1-5-8-13-42-28-9-10-36-29(21-28)31(39)30(18-23-16-26(34)20-27(35)17-23)37-32(40)24-14-22(4)15-25(19-24)33(41)38(11-6-2)12-7-3/h14-17,19-20,28-31,36,39H,5-13,18,21H2,1-4H3,(H,37,40)/t28-,29+,30-,31+/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	7	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human BACE1				Bioorg Med Chem Lett 18: 414-7 (2008) Article DOI: 10.1016/j.bmcl.2007.10.116 BindingDB Entry DOI: 10.7270/Q2RV0PJH
					More data for this Ligand-Target Pair