BDBM50397710 CHEMBL2181904

SMILES: COCC(=O)N[C@@H](Cc1cccc(C#C)c1F)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12

InChI Key: InChIKey=DGWCRGXULLAKNL-KKUQBAQOSA-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 = 50397710   

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))	BDBM50397710 (CHEMBL2181904) Show SMILES COCC(=O)N[C@@H](Cc1cccc(C#C)c1F)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r| Show InChI InChI=1S/C31H40FN3O4/c1-6-21-9-7-10-22(28(21)32)14-24(35-27(37)19-38-5)26(36)18-33-25-16-31(11-8-12-31)39-29-23(25)13-20(17-34-29)15-30(2,3)4/h1,7,9-10,13,17,24-26,33,36H,8,11-12,14-16,18-19H2,2-5H3,(H,35,37)/t24-,25-,26+/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	11	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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50397710 (CHEMBL2181904) Show SMILES COCC(=O)N[C@@H](Cc1cccc(C#C)c1F)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r| Show InChI InChI=1S/C31H40FN3O4/c1-6-21-9-7-10-22(28(21)32)14-24(35-27(37)19-38-5)26(36)18-33-25-16-31(11-8-12-31)39-29-23(25)13-20(17-34-29)15-30(2,3)4/h1,7,9-10,13,17,24-26,33,36H,8,11-12,14-16,18-19H2,2-5H3,(H,35,37)/t24-,25-,26+/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	144	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