BDBM335424 8-((3-((3R,6S)-5-amino-6- cyclopropyl-6-(fluoromethyl)- 3-methyl-1,1-dioxido-3,6- dihydro-2H-1,4-thiazin-3-yl)-4- fluorophenyl)amino)-1,7- naphthyridine-3-carbonitrile::US9732088, Example 1

SMILES: C[C@]1(CS(=O)(=O)[C@@](CF)(C2CC2)C(N)=N1)c1cc(Nc2nccc3cc(cnc23)C#N)ccc1F

InChI Key: InChIKey=FBHQTYOTNRAHFY-ZEQRLZLVSA-N

Data: 3 KI

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 = 335424   

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))	BDBM335424 (8-((3-((3R,6S)-5-amino-6- cyclopropyl-6-(fluoromet...) Show SMILES C[C@]1(CS(=O)(=O)[C@@](CF)(C2CC2)C(N)=N1)c1cc(Nc2nccc3cc(cnc23)C#N)ccc1F |r,c:14| Show InChI InChI=1S/C24H22F2N6O2S/c1-23(13-35(33,34)24(12-25,16-2-3-16)22(28)32-23)18-9-17(4-5-19(18)26)31-21-20-15(6-7-29-21)8-14(10-27)11-30-20/h4-9,11,16H,2-3,12-13H2,1H3,(H2,28,32)(H,29,31)/t23-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.600	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))	BDBM335424 (8-((3-((3R,6S)-5-amino-6- cyclopropyl-6-(fluoromet...) Show SMILES C[C@]1(CS(=O)(=O)[C@@](CF)(C2CC2)C(N)=N1)c1cc(Nc2nccc3cc(cnc23)C#N)ccc1F |r,c:14| Show InChI InChI=1S/C24H22F2N6O2S/c1-23(13-35(33,34)24(12-25,16-2-3-16)22(28)32-23)18-9-17(4-5-19(18)26)31-21-20-15(6-7-29-21)8-14(10-27)11-30-20/h4-9,11,16H,2-3,12-13H2,1H3,(H2,28,32)(H,29,31)/t23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.30	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))	BDBM335424 (8-((3-((3R,6S)-5-amino-6- cyclopropyl-6-(fluoromet...) Show SMILES C[C@]1(CS(=O)(=O)[C@@](CF)(C2CC2)C(N)=N1)c1cc(Nc2nccc3cc(cnc23)C#N)ccc1F |r,c:14| Show InChI InChI=1S/C24H22F2N6O2S/c1-23(13-35(33,34)24(12-25,16-2-3-16)22(28)32-23)18-9-17(4-5-19(18)26)31-21-20-15(6-7-29-21)8-14(10-27)11-30-20/h4-9,11,16H,2-3,12-13H2,1H3,(H2,28,32)(H,29,31)/t23-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	563	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