Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 335454   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-secretase 1 (Homo sapiens (Human))	BDBM335454 ((3R,6S)-5-amino-3-(5-((2-(but- 2-yn-1-yloxy)pyrido...) Show SMILES CC#CCOc1cnc2c(Nc3cnc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](CF)(C4CC4)C(N)=N3)nccc2n1 |r,c:33| Show InChI InChI=1S/C25H25F2N7O3S/c1-3-4-9-37-19-12-30-20-18(33-19)7-8-29-22(20)32-16-10-17(21(27)31-11-16)24(2)14-38(35,36)25(13-26,15-5-6-15)23(28)34-24/h7-8,10-12,15H,5-6,9,13-14H2,1-2H3,(H2,28,34)(H,29,32)/t24-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.650	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
Beta-secretase 2 (Homo sapiens (Human))	BDBM335454 ((3R,6S)-5-amino-3-(5-((2-(but- 2-yn-1-yloxy)pyrido...) Show SMILES CC#CCOc1cnc2c(Nc3cnc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](CF)(C4CC4)C(N)=N3)nccc2n1 |r,c:33| Show InChI InChI=1S/C25H25F2N7O3S/c1-3-4-9-37-19-12-30-20-18(33-19)7-8-29-22(20)32-16-10-17(21(27)31-11-16)24(2)14-38(35,36)25(13-26,15-5-6-15)23(28)34-24/h7-8,10-12,15H,5-6,9,13-14H2,1-2H3,(H2,28,34)(H,29,32)/t24-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10	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
Cathepsin D (Homo sapiens (Human))	BDBM335454 ((3R,6S)-5-amino-3-(5-((2-(but- 2-yn-1-yloxy)pyrido...) Show SMILES CC#CCOc1cnc2c(Nc3cnc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](CF)(C4CC4)C(N)=N3)nccc2n1 |r,c:33| Show InChI InChI=1S/C25H25F2N7O3S/c1-3-4-9-37-19-12-30-20-18(33-19)7-8-29-22(20)32-16-10-17(21(27)31-11-16)24(2)14-38(35,36)25(13-26,15-5-6-15)23(28)34-24/h7-8,10-12,15H,5-6,9,13-14H2,1-2H3,(H2,28,34)(H,29,32)/t24-,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.38E+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