Found 4 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)) | BDBM50510980
(CHEMBL4457316)Show SMILES [H][C@@]12C[C@@]1(SC(N)=N[C@]2(C)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F)C(F)F |r,c:7| Show InChI InChI=1S/C19H15ClF4N4OS/c1-18(13-6-19(13,16(23)24)30-17(25)28-18)10-4-9(5-11(21)14(10)22)27-15(29)12-3-2-8(20)7-26-12/h2-5,7,13,16H,6H2,1H3,(H2,25,28)(H,27,29)/t13-,18+,19-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of BACE1 (unknown origin) using FRET peptide substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by FRE... |
J Med Chem 63: 2263-2281 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01034 BindingDB Entry DOI: 10.7270/Q2ZK5M0H |
More data for this Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50510980
(CHEMBL4457316)Show SMILES [H][C@@]12C[C@@]1(SC(N)=N[C@]2(C)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F)C(F)F |r,c:7| Show InChI InChI=1S/C19H15ClF4N4OS/c1-18(13-6-19(13,16(23)24)30-17(25)28-18)10-4-9(5-11(21)14(10)22)27-15(29)12-3-2-8(20)7-26-12/h2-5,7,13,16H,6H2,1H3,(H2,25,28)(H,27,29)/t13-,18+,19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of BACE2 (unknown origin) using FRET peptide substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by FRE... |
J Med Chem 63: 2263-2281 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01034 BindingDB Entry DOI: 10.7270/Q2ZK5M0H |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50510980
(CHEMBL4457316)Show SMILES [H][C@@]12C[C@@]1(SC(N)=N[C@]2(C)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F)C(F)F |r,c:7| Show InChI InChI=1S/C19H15ClF4N4OS/c1-18(13-6-19(13,16(23)24)30-17(25)28-18)10-4-9(5-11(21)14(10)22)27-15(29)12-3-2-8(20)7-26-12/h2-5,7,13,16H,6H2,1H3,(H2,25,28)(H,27,29)/t13-,18+,19-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of BACE in HEK293 cells harboring APP Swedish mutant assessed as reduction in amyloid beta 40 level measured after overnight incubation by... |
J Med Chem 63: 2263-2281 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01034 BindingDB Entry DOI: 10.7270/Q2ZK5M0H |
More data for this Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50510980
(CHEMBL4457316)Show SMILES [H][C@@]12C[C@@]1(SC(N)=N[C@]2(C)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F)C(F)F |r,c:7| Show InChI InChI=1S/C19H15ClF4N4OS/c1-18(13-6-19(13,16(23)24)30-17(25)28-18)10-4-9(5-11(21)14(10)22)27-15(29)12-3-2-8(20)7-26-12/h2-5,7,13,16H,6H2,1H3,(H2,25,28)(H,27,29)/t13-,18+,19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.19E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant CatD (unknown origin) expressed in CHO cells using FRET peptide substrate preincubated for 1 hr followed by substrate addit... |
J Med Chem 63: 2263-2281 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01034 BindingDB Entry DOI: 10.7270/Q2ZK5M0H |
More data for this Ligand-Target Pair | |