Found 2 hits Enz. Inhib. hit(s) with Target = 'Amyloid-beta precursor protein' and Ligand = 'BDBM136847' 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 |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM136847
(US10231967, Example 84 | US8865911, 84 | US9918985...)Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C(F)(F)F)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(8.55,-3.04,;7.78,-1.7,;6.24,-1.7,;5.47,-.37,;3.93,-.37,;3.16,-1.7,;2.25,-2.95,;.79,-2.47,;-.55,-3.24,;-1.88,-2.47,;-1.88,-.93,;-.55,-.16,;.79,-.93,;2.25,-.46,;1.01,.45,;1.48,1.91,;.71,3.24,;3.02,1.91,;3.79,3.24,;3.5,.45,;-3.21,-.16,;-3.21,1.38,;-4.55,2.15,;-5.88,1.38,;-5.88,-.16,;-4.55,-.93,;-7.21,-.93,;-8.55,-.16,;-7.21,-2.47,;-8.55,-1.7,;3.93,-3.04,;5.47,-3.04,)| Show InChI InChI=1S/C24H25F3N4O/c1-14-21(28)31-23(30-14)20-10-15(17-9-18(13-29-12-17)24(25,26)27)3-4-16(20)11-22(23)7-5-19(32-2)6-8-22/h3-4,9-10,12-13,19H,5-8,11H2,1-2H3,(H2,28,31)/t19-,22-,23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.990 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Bari
| Assay Description SH-SY5Y cells were cultured in DMEM/F-12 with Glutamax, 10% FCS and 1% non-essential amino acids and cryopreserved and stored at −140° C. at a ... |
J Med Chem 50: 4214-21 (2007)
BindingDB Entry DOI: 10.7270/Q2RF5X91 |
More data for this Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM136847
(US10231967, Example 84 | US8865911, 84 | US9918985...)Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C(F)(F)F)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(8.55,-3.04,;7.78,-1.7,;6.24,-1.7,;5.47,-.37,;3.93,-.37,;3.16,-1.7,;2.25,-2.95,;.79,-2.47,;-.55,-3.24,;-1.88,-2.47,;-1.88,-.93,;-.55,-.16,;.79,-.93,;2.25,-.46,;1.01,.45,;1.48,1.91,;.71,3.24,;3.02,1.91,;3.79,3.24,;3.5,.45,;-3.21,-.16,;-3.21,1.38,;-4.55,2.15,;-5.88,1.38,;-5.88,-.16,;-4.55,-.93,;-7.21,-.93,;-8.55,-.16,;-7.21,-2.47,;-8.55,-1.7,;3.93,-3.04,;5.47,-3.04,)| Show InChI InChI=1S/C24H25F3N4O/c1-14-21(28)31-23(30-14)20-10-15(17-9-18(13-29-12-17)24(25,26)27)3-4-16(20)11-22(23)7-5-19(32-2)6-8-22/h3-4,9-10,12-13,19H,5-8,11H2,1-2H3,(H2,28,31)/t19-,22-,23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Bari
| Assay Description The β-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human β-Secretase (AA 1-AA 460) was... |
J Med Chem 50: 4214-21 (2007)
BindingDB Entry DOI: 10.7270/Q2RF5X91 |
More data for this Ligand-Target Pair | |