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)) | BDBM335473
((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@@](C)(C4CC4)C(N)=N3)nccc2c1 |r,c:29| Show InChI InChI=1S/C23H25FN6O3S/c1-22(12-34(31,32)23(2,14-4-5-14)21(25)30-22)17-9-15(10-28-19(17)24)29-20-18-13(6-7-26-20)8-16(33-3)11-27-18/h6-11,14H,4-5,12H2,1-3H3,(H2,25,30)(H,26,29)/t22-,23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| 2.60 | 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-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)) | BDBM335473
((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@@](C)(C4CC4)C(N)=N3)nccc2c1 |r,c:29| Show InChI InChI=1S/C23H25FN6O3S/c1-22(12-34(31,32)23(2,14-4-5-14)21(25)30-22)17-9-15(10-28-19(17)24)29-20-18-13(6-7-26-20)8-16(33-3)11-27-18/h6-11,14H,4-5,12H2,1-3H3,(H2,25,30)(H,26,29)/t22-,23-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 6.90 | 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)) | BDBM335473
((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@@](C)(C4CC4)C(N)=N3)nccc2c1 |r,c:29| Show InChI InChI=1S/C23H25FN6O3S/c1-22(12-34(31,32)23(2,14-4-5-14)21(25)30-22)17-9-15(10-28-19(17)24)29-20-18-13(6-7-26-20)8-16(33-3)11-27-18/h6-11,14H,4-5,12H2,1-3H3,(H2,25,30)(H,26,29)/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
| 650 | 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 | |