null
SMILES: C[C@H]1SC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cc3OCCOc3cn2)ccc1F
InChI Key:
PDB links: 2 PDB IDs match this monomer.
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50579805 (CHEMBL5075689) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | Article PubMed | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H] JNJ-962 from BACE1 (unknown origin) expressed in HEK293 cell membranes assessed as inhibition constant at pH 6.2 by scintillatio... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00359 BindingDB Entry DOI: 10.7270/Q2WW7NJB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 2 (Homo sapiens (Human)) | BDBM50579805 (CHEMBL5075689) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | PDB Article PubMed | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H] JNJ-962 from BACE2 (unknown origin) expressed in HEK293 cell membranes assessed as inhibition constant at pH 6.2 by scintillatio... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00359 BindingDB Entry DOI: 10.7270/Q2WW7NJB | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50579805 (CHEMBL5075689) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 0.930 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of BACE1 (unknown origin) using APP harboring Swedish Lys/Met mutant-derived peptide as substrate by FRET assay | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00359 BindingDB Entry DOI: 10.7270/Q2WW7NJB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50579805 (CHEMBL5075689) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of BACE1 in human SKNBE2 cells expressing wildtype APP assessed as reduction in amyloid beta 42 level incubated for 18 hrs by sandwich Alp... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00359 BindingDB Entry DOI: 10.7270/Q2WW7NJB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 2 (Homo sapiens (Human)) | BDBM50579805 (CHEMBL5075689) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 479 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of BACE2 (unknown origin) using APP harboring Swedish Lys-Met/Asn-Leu mutant-derived peptide as substrate incubated for 2 hrs by FRET assa... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00935 BindingDB Entry DOI: 10.7270/Q2V69PFZ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50579805 (CHEMBL5075689) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 0.930 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of BACE1 (1 to 454 residues) (unknown origin) using APP harboring Swedish Lys-Met/Asn-Leu mutant-derived peptide as substrate by FRET assa... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00935 BindingDB Entry DOI: 10.7270/Q2V69PFZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 2 (Homo sapiens (Human)) | BDBM50579805 (CHEMBL5075689) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 479 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of BACE2 (unknown origin) using APP harboring Swedish Lys/Met mutant-derived peptide as substrate by FRET assay | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00359 BindingDB Entry DOI: 10.7270/Q2WW7NJB | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |