BDBM335444 (3R,6S)-5-amino-6- cyclopropyl-3-(5-fluoro-2-((2- methoxypyrido[3,4-b]pyrazin- 5-yl)amino)pyridin-4-yl)-3,6- dimethyl-3,6-dihydro-2H-1,4- thiazine 1,1-dioxide::US9732088, Example 9

SMILES: COc1cnc2c(Nc3cc(c(F)cn3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)nccc2n1

InChI Key: InChIKey=FUBUEZYZRDLFCH-VXKWHMMOSA-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 = 335444   

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))	BDBM335444 ((3R,6S)-5-amino-6- cyclopropyl-3-(5-fluoro-2-((2- ...) Show SMILES COc1cnc2c(Nc3cc(c(F)cn3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)nccc2n1 |r,c:29| Show InChI InChI=1S/C22H24FN7O3S/c1-21(11-34(31,32)22(2,12-4-5-12)20(24)30-21)13-8-16(26-9-14(13)23)29-19-18-15(6-7-25-19)28-17(33-3)10-27-18/h6-10,12H,4-5,11H2,1-3H3,(H2,24,30)(H,25,26,29)/t21-,22-/m0/s1	PDB UniProtKB/SwissProt 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-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))	BDBM335444 ((3R,6S)-5-amino-6- cyclopropyl-3-(5-fluoro-2-((2- ...) Show SMILES COc1cnc2c(Nc3cc(c(F)cn3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)nccc2n1 |r,c:29| Show InChI InChI=1S/C22H24FN7O3S/c1-21(11-34(31,32)22(2,12-4-5-12)20(24)30-21)13-8-16(26-9-14(13)23)29-19-18-15(6-7-25-19)28-17(33-3)10-27-18/h6-10,12H,4-5,11H2,1-3H3,(H2,24,30)(H,25,26,29)/t21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13.6	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))	BDBM335444 ((3R,6S)-5-amino-6- cyclopropyl-3-(5-fluoro-2-((2- ...) Show SMILES COc1cnc2c(Nc3cc(c(F)cn3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)nccc2n1 |r,c:29| Show InChI InChI=1S/C22H24FN7O3S/c1-21(11-34(31,32)22(2,12-4-5-12)20(24)30-21)13-8-16(26-9-14(13)23)29-19-18-15(6-7-25-19)28-17(33-3)10-27-18/h6-10,12H,4-5,11H2,1-3H3,(H2,24,30)(H,25,26,29)/t21-,22-/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	>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