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SMILES: C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2nccc3cc(F)cnc23)ncc1F

InChI Key: InChIKey=LCPTYACFEQUNJA-VXKWHMMOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 335467   

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 2 (Homo sapiens (Human))	BDBM335467 ((3R,6S)-5-amino-6- cyclopropyl-3-(5-fluoro-2-((3- ...) Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2nccc3cc(F)cnc23)ncc1F |r,c:13| Show InChI InChI=1S/C22H22F2N6O2S/c1-21(11-33(31,32)22(2,13-3-4-13)20(25)30-21)15-8-17(27-10-16(15)24)29-19-18-12(5-6-26-19)7-14(23)9-28-18/h5-10,13H,3-4,11H2,1-2H3,(H2,25,30)(H,26,27,29)/t21-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention were determined to be potent inhibitors of BACE-2 using the following assay. Inhibitor IC50s at purified human autoBAC...				US Patent US9732088 (2017) BindingDB Entry DOI: 10.7270/Q2XD13S2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM335467 ((3R,6S)-5-amino-6- cyclopropyl-3-(5-fluoro-2-((3- ...) Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2nccc3cc(F)cnc23)ncc1F |r,c:13| Show InChI InChI=1S/C22H22F2N6O2S/c1-21(11-33(31,32)22(2,13-3-4-13)20(25)30-21)15-8-17(27-10-16(15)24)29-19-18-12(5-6-26-19)7-14(23)9-28-18/h5-10,13H,3-4,11H2,1-2H3,(H2,25,30)(H,26,27,29)/t21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention were determined to be potent inhibitors of BACE-1 using the following assay.The following reagents were used in this a...				US Patent US9732088 (2017) BindingDB Entry DOI: 10.7270/Q2XD13S2
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM335467 ((3R,6S)-5-amino-6- cyclopropyl-3-(5-fluoro-2-((3- ...) Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2nccc3cc(F)cnc23)ncc1F |r,c:13| Show InChI InChI=1S/C22H22F2N6O2S/c1-21(11-33(31,32)22(2,13-3-4-13)20(25)30-21)15-8-17(27-10-16(15)24)29-19-18-12(5-6-26-19)7-14(23)9-28-18/h5-10,13H,3-4,11H2,1-2H3,(H2,25,30)(H,26,27,29)/t21-,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The following reagents were used in this assay: Na+-Acetate pH 5.0; 1% Brij-35; Dimethyl Sulfoxide (DMSO); Purified human Cathepsin-D (>95% pure); As...				US Patent US9732088 (2017) BindingDB Entry DOI: 10.7270/Q2XD13S2
					More data for this Ligand-Target Pair