BDBM50510988 CHEMBL4461994

SMILES: [H][C@@]12C[C@]1(COC)SC(N)=N[C@]2(C)c1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)cc(F)c1F

InChI Key: InChIKey=BTFGNNJIHJZEND-ZLGUVYLKSA-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 = 50510988   

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))	BDBM50510988 (CHEMBL4461994) Show SMILES [H][C@@]12C[C@]1(COC)SC(N)=N[C@]2(C)c1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)cc(F)c1F |r,c:10| Show InChI InChI=1S/C22H21F5N4O3S/c1-20(16-7-21(16,9-33-2)35-19(28)31-20)13-5-11(6-14(23)17(13)24)30-18(32)15-4-3-12(8-29-15)34-10-22(25,26)27/h3-6,8,16H,7,9-10H2,1-2H3,(H2,28,31)(H,30,32)/t16-,20+,21+/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	52	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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50510988 (CHEMBL4461994) Show SMILES [H][C@@]12C[C@]1(COC)SC(N)=N[C@]2(C)c1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)cc(F)c1F |r,c:10| Show InChI InChI=1S/C22H21F5N4O3S/c1-20(16-7-21(16,9-33-2)35-19(28)31-20)13-5-11(6-14(23)17(13)24)30-18(32)15-4-3-12(8-29-15)34-10-22(25,26)27/h3-6,8,16H,7,9-10H2,1-2H3,(H2,28,31)(H,30,32)/t16-,20+,21+/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	6.10	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))	BDBM50510988 (CHEMBL4461994) Show SMILES [H][C@@]12C[C@]1(COC)SC(N)=N[C@]2(C)c1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)cc(F)c1F |r,c:10| Show InChI InChI=1S/C22H21F5N4O3S/c1-20(16-7-21(16,9-33-2)35-19(28)31-20)13-5-11(6-14(23)17(13)24)30-18(32)15-4-3-12(8-29-15)34-10-22(25,26)27/h3-6,8,16H,7,9-10H2,1-2H3,(H2,28,31)(H,30,32)/t16-,20+,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	401	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