BDBM50457600 CHEMBL4216758

SMILES: C[C@]1(C=C(CF)OC(N)=N1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F

InChI Key: InChIKey=RIZAKNLPEQHQEV-SFHVURJKSA-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 = 50457600   

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))	BDBM50457600 (CHEMBL4216758) Show SMILES C[C@]1(C=C(CF)OC(N)=N1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,c:8,t:2| Show InChI InChI=1S/C18H16F3N5O3/c1-18(5-11(6-19)29-17(22)26-18)12-4-10(2-3-13(12)21)25-16(27)14-7-24-15(8-23-14)28-9-20/h2-5,7-8H,6,9H2,1H3,(H2,22,26)(H,25,27)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BACE1 in human SH-SY5Y cells transfected with human wild type beta-APP assessed as reduction in amyloid beta (1 to 40) levels after 24 ...				J Med Chem 61: 5122-5137 (2018) Article DOI: 10.1021/acs.jmedchem.8b00002 BindingDB Entry DOI: 10.7270/Q27W6FSQ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50457600 (CHEMBL4216758) Show SMILES C[C@]1(C=C(CF)OC(N)=N1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,c:8,t:2| Show InChI InChI=1S/C18H16F3N5O3/c1-18(5-11(6-19)29-17(22)26-18)12-4-10(2-3-13(12)21)25-16(27)14-7-24-15(8-23-14)28-9-20/h2-5,7-8H,6,9H2,1H3,(H2,22,26)(H,25,27)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	139	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 (43 to 545 residues) expressed in Escherichia coli BL21(DE3) using APP Swedish Lys-Met/Asn-Leu mutant as substr...				J Med Chem 61: 5122-5137 (2018) Article DOI: 10.1021/acs.jmedchem.8b00002 BindingDB Entry DOI: 10.7270/Q27W6FSQ
					More data for this Ligand-Target Pair