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)) | BDBM335453
((3R,6S)-5-amino-6- cyclopropyl-3-(2-fluoro-5-((3- ...)Show SMILES COc1cnc2c(Nc3cnc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](CF)(C4CC4)C(N)=N3)nccc2c1 |r,c:30| Show InChI InChI=1S/C23H24F2N6O3S/c1-22(12-35(32,33)23(11-24,14-3-4-14)21(26)31-22)17-8-15(9-29-19(17)25)30-20-18-13(5-6-27-20)7-16(34-2)10-28-18/h5-10,14H,3-4,11-12H2,1-2H3,(H2,26,31)(H,27,30)/t22-,23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| 3.30 | 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)) | BDBM335453
((3R,6S)-5-amino-6- cyclopropyl-3-(2-fluoro-5-((3- ...)Show SMILES COc1cnc2c(Nc3cnc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](CF)(C4CC4)C(N)=N3)nccc2c1 |r,c:30| Show InChI InChI=1S/C23H24F2N6O3S/c1-22(12-35(32,33)23(11-24,14-3-4-14)21(26)31-22)17-8-15(9-29-19(17)25)30-20-18-13(5-6-27-20)7-16(34-2)10-28-18/h5-10,14H,3-4,11-12H2,1-2H3,(H2,26,31)(H,27,30)/t22-,23-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 6.10 | 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-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)) | BDBM335453
((3R,6S)-5-amino-6- cyclopropyl-3-(2-fluoro-5-((3- ...)Show SMILES COc1cnc2c(Nc3cnc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](CF)(C4CC4)C(N)=N3)nccc2c1 |r,c:30| Show InChI InChI=1S/C23H24F2N6O3S/c1-22(12-35(32,33)23(11-24,14-3-4-14)21(26)31-22)17-8-15(9-29-19(17)25)30-20-18-13(5-6-27-20)7-16(34-2)10-28-18/h5-10,14H,3-4,11-12H2,1-2H3,(H2,26,31)(H,27,30)/t22-,23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 629 | 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 | |