BDBM50078352 CHEMBL3414705

SMILES: [H][C@@]12COC[C@@]1(N=C(N)SC2)c1ccc(F)cc1F

InChI Key: InChIKey=PKKALIJXXMXWQH-MADCSZMMSA-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 = 50078352   

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))	BDBM50078352 (CHEMBL3414705) Show SMILES [H][C@@]12COC[C@@]1(N=C(N)SC2)c1ccc(F)cc1F |r,t:7| Show InChI InChI=1S/C12H12F2N2OS/c13-8-1-2-9(10(14)3-8)12-6-17-4-7(12)5-18-11(15)16-12/h1-3,7H,4-6H2,(H2,15,16)/t7-,12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Eurofarma Laboratorios S.A. Curated by ChEMBL					Assay Description Inhibition of CatD (unknown origin) by fluorescence polarization assay				J Med Chem 58: 2678-702 (2015) Article DOI: 10.1021/jm501833t BindingDB Entry DOI: 10.7270/Q2W37Z1D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50078352 (CHEMBL3414705) Show SMILES [H][C@@]12COC[C@@]1(N=C(N)SC2)c1ccc(F)cc1F |r,t:7| Show InChI InChI=1S/C12H12F2N2OS/c13-8-1-2-9(10(14)3-8)12-6-17-4-7(12)5-18-11(15)16-12/h1-3,7H,4-6H2,(H2,15,16)/t7-,12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	375	n/a	n/a	n/a	n/a	n/a	n/a
Eurofarma Laboratorios S.A. Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells overexpressing APP695 assessed as sAPPbeta level after 18 hrs by ELISA				J Med Chem 58: 2678-702 (2015) Article DOI: 10.1021/jm501833t BindingDB Entry DOI: 10.7270/Q2W37Z1D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50078352 (CHEMBL3414705) Show SMILES [H][C@@]12COC[C@@]1(N=C(N)SC2)c1ccc(F)cc1F |r,t:7| Show InChI InChI=1S/C12H12F2N2OS/c13-8-1-2-9(10(14)3-8)12-6-17-4-7(12)5-18-11(15)16-12/h1-3,7H,4-6H2,(H2,15,16)/t7-,12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Eurofarma Laboratorios S.A. Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using biotin-GLTNIKTEEISEISYEVEFR-C[Oregon Green]KK-OH as substrate after 3 hrs by fluorescence polarization ass...				J Med Chem 58: 2678-702 (2015) Article DOI: 10.1021/jm501833t BindingDB Entry DOI: 10.7270/Q2W37Z1D
					More data for this Ligand-Target Pair