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 1
(Homo sapiens (Human)) | BDBM372869
(US10246429, Example 276)Show SMILES COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCc3cc(C)no3)cn2)ccc1F |r,t:9| Show InChI InChI=1S/C25H25F2N5O3S/c1-14-6-16(35-32-14)12-34-22-11-29-20(10-30-22)19(27)8-15-4-5-18(26)17(7-15)24(2)21-9-25(21,13-33-3)36-23(28)31-24/h4-8,10-11,21H,9,12-13H2,1-3H3,(H2,28,31)/b19-8-/t21-,24+,25+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 825 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southampton
| Assay Description The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ... |
J Med Chem 49: 6652-5 (2006)
BindingDB Entry DOI: 10.7270/Q23J3G8K |
More data for this Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM372869
(US10246429, Example 276)Show SMILES COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCc3cc(C)no3)cn2)ccc1F |r,t:9| Show InChI InChI=1S/C25H25F2N5O3S/c1-14-6-16(35-32-14)12-34-22-11-29-20(10-30-22)19(27)8-15-4-5-18(26)17(7-15)24(2)21-9-25(21,13-33-3)36-23(28)31-24/h4-8,10-11,21H,9,12-13H2,1-3H3,(H2,28,31)/b19-8-/t21-,24+,25+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 966 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southampton
| |
J Med Chem 49: 6652-5 (2006)
BindingDB Entry DOI: 10.7270/Q23J3G8K |
More data for this Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM372869
(US10246429, Example 276)Show SMILES COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCc3cc(C)no3)cn2)ccc1F |r,t:9| Show InChI InChI=1S/C25H25F2N5O3S/c1-14-6-16(35-32-14)12-34-22-11-29-20(10-30-22)19(27)8-15-4-5-18(26)17(7-15)24(2)21-9-25(21,13-33-3)36-23(28)31-24/h4-8,10-11,21H,9,12-13H2,1-3H3,(H2,28,31)/b19-8-/t21-,24+,25+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1.56E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southampton
| Assay Description Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i... |
J Med Chem 49: 6652-5 (2006)
BindingDB Entry DOI: 10.7270/Q23J3G8K |
More data for this Ligand-Target Pair | |