Found 2 hits Enz. Inhib. hit(s) with Target = 'Amyloid-beta precursor protein' and Ligand = 'BDBM136850' 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)) | BDBM136850
(US10231967, Example 87 | US8865911, 87 | US9918985...)Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(OC)c(F)c(c2)C#N)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(8.55,-4.03,;7.78,-2.7,;6.24,-2.7,;5.47,-1.36,;3.93,-1.36,;3.16,-2.7,;2.25,-3.94,;.79,-3.47,;-.55,-4.23,;-1.88,-3.47,;-1.88,-1.93,;-.55,-1.16,;.79,-1.93,;2.25,-1.45,;1.01,-.54,;1.48,.92,;.71,2.25,;3.02,.92,;3.79,2.25,;3.5,-.54,;-3.21,-1.16,;-4.55,-1.93,;-5.88,-1.16,;-7.21,-1.93,;-8.55,-1.16,;-5.88,.38,;-7.21,1.15,;-4.55,1.15,;-3.21,.38,;-4.55,2.69,;-4.55,4.23,;3.93,-4.03,;5.47,-4.03,)| Show InChI InChI=1S/C26H27FN4O2/c1-15-24(29)31-26(30-15)21-11-16(18-10-19(14-28)23(27)22(12-18)33-3)4-5-17(21)13-25(26)8-6-20(32-2)7-9-25/h4-5,10-12,20H,6-9,13H2,1-3H3,(H2,29,31)/t20-,25-,26-/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 | 0.930 | 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)) | BDBM136850
(US10231967, Example 87 | US8865911, 87 | US9918985...)Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(OC)c(F)c(c2)C#N)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(8.55,-4.03,;7.78,-2.7,;6.24,-2.7,;5.47,-1.36,;3.93,-1.36,;3.16,-2.7,;2.25,-3.94,;.79,-3.47,;-.55,-4.23,;-1.88,-3.47,;-1.88,-1.93,;-.55,-1.16,;.79,-1.93,;2.25,-1.45,;1.01,-.54,;1.48,.92,;.71,2.25,;3.02,.92,;3.79,2.25,;3.5,-.54,;-3.21,-1.16,;-4.55,-1.93,;-5.88,-1.16,;-7.21,-1.93,;-8.55,-1.16,;-5.88,.38,;-7.21,1.15,;-4.55,1.15,;-3.21,.38,;-4.55,2.69,;-4.55,4.23,;3.93,-4.03,;5.47,-4.03,)| Show InChI InChI=1S/C26H27FN4O2/c1-15-24(29)31-26(30-15)21-11-16(18-10-19(14-28)23(27)22(12-18)33-3)4-5-17(21)13-25(26)8-6-20(32-2)7-9-25/h4-5,10-12,20H,6-9,13H2,1-3H3,(H2,29,31)/t20-,25-,26-/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 | 2.20 | 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 | |