BDBM50012648 CHEMBL3261057

SMILES: Cc1cc(on1)[C@H]1CC2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F

InChI Key: InChIKey=APXCHRRPLFZFMP-WETSXSAHSA-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 = 50012648   

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))	BDBM50012648 (CHEMBL3261057) Show SMILES Cc1cc(on1)[C@H]1CC2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |r,c:13| Show InChI InChI=1S/C17H17F2N3O2S/c1-9-4-15(24-22-9)14-5-10-7-25-16(20)21-17(10,8-23-14)12-3-2-11(18)6-13(12)19/h2-4,6,10,14H,5,7-8H2,1H3,(H2,20,21)/t10?,14-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Beta-secretase (BACE) is one of the enzymes involved in the generation of the amyloid beta peptide found in the amyloid plaques of Alzheimer's Diseas...				US Patent US8962616 (2015) BindingDB Entry DOI: 10.7270/Q20Z7216
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50012648 (CHEMBL3261057) Show SMILES Cc1cc(on1)[C@H]1CC2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |r,c:13| Show InChI InChI=1S/C17H17F2N3O2S/c1-9-4-15(24-22-9)14-5-10-7-25-16(20)21-17(10,8-23-14)12-3-2-11(18)6-13(12)19/h2-4,6,10,14H,5,7-8H2,1H3,(H2,20,21)/t10?,14-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of BACE2 (unknown origin) using Biotin-KEISEISYEVEFR-C as substrate after 3 hrs by fluorescent polarization assay				Bioorg Med Chem Lett 24: 2033-45 (2014) Article DOI: 10.1016/j.bmcl.2014.03.025 BindingDB Entry DOI: 10.7270/Q2H41T0Z
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50012648 (CHEMBL3261057) Show SMILES Cc1cc(on1)[C@H]1CC2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |r,c:13| Show InChI InChI=1S/C17H17F2N3O2S/c1-9-4-15(24-22-9)14-5-10-7-25-16(20)21-17(10,8-23-14)12-3-2-11(18)6-13(12)19/h2-4,6,10,14H,5,7-8H2,1H3,(H2,20,21)/t10?,14-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.55E+3	n/a	n/a	n/a	n/a	4.5	37
Pfizer Inc. US Patent					Assay Description This assay measures the inhibition of the BACE2 enzyme as it cleaves a non-native peptide. A synthetic substrate that can be cleaved by BACE2 having ...				US Patent US8962616 (2015) BindingDB Entry DOI: 10.7270/Q20Z7216
					More data for this Ligand-Target Pair