null

SMILES: [H][C@@]12C[C@]1(COC)SC(N)=N[C@]2(C)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)cc(F)c1F

InChI Key: InChIKey=LMVCXQSYVBPNAZ-VHKYSDTDSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50510985   

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))	BDBM50510985 (CHEMBL4579155) Show SMILES [H][C@@]12C[C@]1(COC)SC(N)=N[C@]2(C)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)cc(F)c1F |r,c:10| Show InChI InChI=1S/C21H20F5N5O3S/c1-19(14-5-20(14,8-33-2)35-18(27)31-19)11-3-10(4-12(22)16(11)23)30-17(32)13-6-29-15(7-28-13)34-9-21(24,25)26/h3-4,6-7,14H,5,8-9H2,1-2H3,(H2,27,31)(H,30,32)/t14-,19+,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using FRET peptide substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by FRE...				J Med Chem 63: 2263-2281 (2020) Article DOI: 10.1021/acs.jmedchem.9b01034
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50510985 (CHEMBL4579155) Show SMILES [H][C@@]12C[C@]1(COC)SC(N)=N[C@]2(C)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)cc(F)c1F |r,c:10| Show InChI InChI=1S/C21H20F5N5O3S/c1-19(14-5-20(14,8-33-2)35-18(27)31-19)11-3-10(4-12(22)16(11)23)30-17(32)13-6-29-15(7-28-13)34-9-21(24,25)26/h3-4,6-7,14H,5,8-9H2,1-2H3,(H2,27,31)(H,30,32)/t14-,19+,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BACE2 (unknown origin) using FRET peptide substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by FRE...				J Med Chem 63: 2263-2281 (2020) Article DOI: 10.1021/acs.jmedchem.9b01034
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50510985 (CHEMBL4579155) Show SMILES [H][C@@]12C[C@]1(COC)SC(N)=N[C@]2(C)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)cc(F)c1F |r,c:10| Show InChI InChI=1S/C21H20F5N5O3S/c1-19(14-5-20(14,8-33-2)35-18(27)31-19)11-3-10(4-12(22)16(11)23)30-17(32)13-6-29-15(7-28-13)34-9-21(24,25)26/h3-4,6-7,14H,5,8-9H2,1-2H3,(H2,27,31)(H,30,32)/t14-,19+,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BACE in HEK293 cells harboring APP Swedish mutant assessed as reduction in amyloid beta 40 level measured after overnight incubation by...				J Med Chem 63: 2263-2281 (2020) Article DOI: 10.1021/acs.jmedchem.9b01034
					More data for this Ligand-Target Pair