BDBM50092468 CHEMBL3586133

SMILES: OC(=O)C(F)(F)F.NC1=NC2CCC(CC2CS1)OC(=O)c1cccc(Cl)c1

InChI Key: InChIKey=OADYDVBNNUAOEU-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50092468   

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
Cathepsin D (Homo sapiens (Human))	BDBM50092468 (CHEMBL3586133) Show SMILES OC(=O)C(F)(F)F.NC1=NC2CCC(CC2CS1)OC(=O)c1cccc(Cl)c1 |t:7| Show InChI InChI=1S/C15H17ClN2O2S/c16-11-3-1-2-9(6-11)14(19)20-12-4-5-13-10(7-12)8-21-15(17)18-13/h1-3,6,10,12-13H,4-5,7-8H2,(H2,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin D				Bioorg Med Chem 23: 3260-8 (2015) Article DOI: 10.1016/j.bmc.2015.04.062 BindingDB Entry DOI: 10.7270/Q2J67JNF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50092468 (CHEMBL3586133) Show SMILES OC(=O)C(F)(F)F.NC1=NC2CCC(CC2CS1)OC(=O)c1cccc(Cl)c1 |t:7| Show InChI InChI=1S/C15H17ClN2O2S/c16-11-3-1-2-9(6-11)14(19)20-12-4-5-13-10(7-12)8-21-15(17)18-13/h1-3,6,10,12-13H,4-5,7-8H2,(H2,17,18)	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	761	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human BACE1 by mcaFRET assay				Bioorg Med Chem 23: 3260-8 (2015) Article DOI: 10.1016/j.bmc.2015.04.062 BindingDB Entry DOI: 10.7270/Q2J67JNF
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50092468 (CHEMBL3586133) Show SMILES OC(=O)C(F)(F)F.NC1=NC2CCC(CC2CS1)OC(=O)c1cccc(Cl)c1 |t:7| Show InChI InChI=1S/C15H17ClN2O2S/c16-11-3-1-2-9(6-11)14(19)20-12-4-5-13-10(7-12)8-21-15(17)18-13/h1-3,6,10,12-13H,4-5,7-8H2,(H2,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	584	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human BACE2				Bioorg Med Chem 23: 3260-8 (2015) Article DOI: 10.1016/j.bmc.2015.04.062 BindingDB Entry DOI: 10.7270/Q2J67JNF
					More data for this Ligand-Target Pair