BDBM50374221 CHEMBL255540

SMILES: CCCC(CCC)N1C[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=OKPGXAGXHSHEHL-XVLIYFGKSA-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 = 50374221   

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))	BDBM50374221 (CHEMBL255540) Show SMILES CCCC(CCC)N1C[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/C32H43F2N3O4/c1-3-8-26(9-4-2)37-19-23(15-30(37)38)32(40)36-29(14-22-12-24(33)16-25(34)13-22)31(39)28-17-27(18-35-28)41-20-21-10-6-5-7-11-21/h5-7,10-13,16,23,26-29,31,35,39H,3-4,8-9,14-15,17-20H2,1-2H3,(H,36,40)/t23-,27+,28+,29-,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+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))	BDBM50374221 (CHEMBL255540) Show SMILES CCCC(CCC)N1C[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/C32H43F2N3O4/c1-3-8-26(9-4-2)37-19-23(15-30(37)38)32(40)36-29(14-22-12-24(33)16-25(34)13-22)31(39)28-17-27(18-35-28)41-20-21-10-6-5-7-11-21/h5-7,10-13,16,23,26-29,31,35,39H,3-4,8-9,14-15,17-20H2,1-2H3,(H,36,40)/t23-,27+,28+,29-,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	71	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