Found 3 hits in this display 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)) | BDBM335456
((3R,6S)-5-amino-3-(5-((7- bromopyrido[3,2-d]pyrimi...)Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2ncnc3cc(Br)cnc23)ccc1F |r,c:13| Show InChI InChI=1S/C22H22BrFN6O2S/c1-21(10-33(31,32)22(2,12-3-4-12)20(25)30-21)15-8-14(5-6-16(15)24)29-19-18-17(27-11-28-19)7-13(23)9-26-18/h5-9,11-12H,3-4,10H2,1-2H3,(H2,25,30)(H,27,28,29)/t21-,22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| 0.730 | 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)) | BDBM335456
((3R,6S)-5-amino-3-(5-((7- bromopyrido[3,2-d]pyrimi...)Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2ncnc3cc(Br)cnc23)ccc1F |r,c:13| Show InChI InChI=1S/C22H22BrFN6O2S/c1-21(10-33(31,32)22(2,12-3-4-12)20(25)30-21)15-8-14(5-6-16(15)24)29-19-18-17(27-11-28-19)7-13(23)9-26-18/h5-9,11-12H,3-4,10H2,1-2H3,(H2,25,30)(H,27,28,29)/t21-,22-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1.80 | 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)) | BDBM335456
((3R,6S)-5-amino-3-(5-((7- bromopyrido[3,2-d]pyrimi...)Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2ncnc3cc(Br)cnc23)ccc1F |r,c:13| Show InChI InChI=1S/C22H22BrFN6O2S/c1-21(10-33(31,32)22(2,12-3-4-12)20(25)30-21)15-8-14(5-6-16(15)24)29-19-18-17(27-11-28-19)7-13(23)9-26-18/h5-9,11-12H,3-4,10H2,1-2H3,(H2,25,30)(H,27,28,29)/t21-,22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 321 | 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 | |