Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 335459   

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 2 (Homo sapiens (Human))	BDBM335459 (8-((3-((3R,6S)-5-amino-6- cyclopropyl-3,6-dimethyl...) Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2nccc3cc(cnc23)C#N)ccc1F |r,c:13| Show InChI InChI=1S/C24H23FN6O2S/c1-23(13-34(32,33)24(2,16-3-4-16)22(27)31-23)18-10-17(5-6-19(18)25)30-21-20-15(7-8-28-21)9-14(11-26)12-29-20/h5-10,12,16H,3-4,13H2,1-2H3,(H2,27,31)(H,28,30)/t23-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.640	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))	BDBM335459 (8-((3-((3R,6S)-5-amino-6- cyclopropyl-3,6-dimethyl...) Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2nccc3cc(cnc23)C#N)ccc1F |r,c:13| Show InChI InChI=1S/C24H23FN6O2S/c1-23(13-34(32,33)24(2,16-3-4-16)22(27)31-23)18-10-17(5-6-19(18)25)30-21-20-15(7-8-28-21)9-14(11-26)12-29-20/h5-10,12,16H,3-4,13H2,1-2H3,(H2,27,31)(H,28,30)/t23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	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))	BDBM335459 (8-((3-((3R,6S)-5-amino-6- cyclopropyl-3,6-dimethyl...) Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2nccc3cc(cnc23)C#N)ccc1F |r,c:13| Show InChI InChI=1S/C24H23FN6O2S/c1-23(13-34(32,33)24(2,16-3-4-16)22(27)31-23)18-10-17(5-6-19(18)25)30-21-20-15(7-8-28-21)9-14(11-26)12-29-20/h5-10,12,16H,3-4,13H2,1-2H3,(H2,27,31)(H,28,30)/t23-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	651	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