BDBM50397708 CHEMBL2181906

SMILES: COCC(=O)N[C@@H](Cc1cc(F)cc(c1)C#C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12

InChI Key: InChIKey=QSNMNIQIQWYQGN-GMQQYTKMSA-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 = 50397708   

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))	BDBM50397708 (CHEMBL2181906) Show SMILES COCC(=O)N[C@@H](Cc1cc(F)cc(c1)C#C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r| Show InChI InChI=1S/C31H40FN3O4/c1-6-20-10-21(12-23(32)11-20)14-25(35-28(37)19-38-5)27(36)18-33-26-16-31(8-7-9-31)39-29-24(26)13-22(17-34-29)15-30(2,3)4/h1,10-13,17,25-27,33,36H,7-9,14-16,18-19H2,2-5H3,(H,35,37)/t25-,26-,27+/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	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta 40 production after overnight incubati...				J Med Chem 55: 9025-44 (2012) Article DOI: 10.1021/jm300118s BindingDB Entry DOI: 10.7270/Q298885R
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50397708 (CHEMBL2181906) Show SMILES COCC(=O)N[C@@H](Cc1cc(F)cc(c1)C#C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r| Show InChI InChI=1S/C31H40FN3O4/c1-6-20-10-21(12-23(32)11-20)14-25(35-28(37)19-38-5)27(36)18-33-26-16-31(8-7-9-31)39-29-24(26)13-22(17-34-29)15-30(2,3)4/h1,10-13,17,25-27,33,36H,7-9,14-16,18-19H2,2-5H3,(H,35,37)/t25-,26-,27+/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	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...				J Med Chem 55: 9025-44 (2012) Article DOI: 10.1021/jm300118s BindingDB Entry DOI: 10.7270/Q298885R
					More data for this Ligand-Target Pair