null

SMILES: Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(OC(N)=N1)C(F)F)C#N

InChI Key: InChIKey=DSZGYBZHOVZDKX-FQEVSTJZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50457591   

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))	BDBM50457591 (CHEMBL4216412) Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(OC(N)=N1)C(F)F)C#N |r,c:21,25| Show InChI InChI=1S/C20H16F3N5O2/c1-10-5-11(8-24)9-26-16(10)18(29)27-12-3-4-14(21)13(6-12)20(2)7-15(17(22)23)30-19(25)28-20/h3-7,9,17H,1-2H3,(H2,25,28)(H,27,29)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	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))	BDBM50457591 (CHEMBL4216412) Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(OC(N)=N1)C(F)F)C#N |r,c:21,25| Show InChI InChI=1S/C20H16F3N5O2/c1-10-5-11(8-24)9-26-16(10)18(29)27-12-3-4-14(21)13(6-12)20(2)7-15(17(22)23)30-19(25)28-20/h3-7,9,17H,1-2H3,(H2,25,28)(H,27,29)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	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