null
SMILES: Cl.[H][C@@]12CN(C[C@@]1(N=C(N)SC2)c1cnccn1)c1ncc(F)cn1
InChI Key:
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)) | BDBM50581134![]() (CHEMBL5091705) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of recombinant human BACE1 using (MCA)-S-E-V-N-L-D-A-E-F-R-K(dinitrophenol)-R-R-R-R-NH2 as substrate incubated for 8 hrs by FRET assay | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00489 BindingDB Entry DOI: 10.7270/Q29W0KBW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Mus musculus (Mouse)) | BDBM50581134![]() (CHEMBL5091705) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of BACE1 in mouse primary cortical neuron assessed as reduction in Amyloid-beta level incubated for 24 hrs by sandwich ELISA assay | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00489 BindingDB Entry DOI: 10.7270/Q29W0KBW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM50581134![]() (CHEMBL5091705) | 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 | 8.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of human Cathepsin D by FRET assay | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00489 BindingDB Entry DOI: 10.7270/Q29W0KBW | |||||||||||
More data for this Ligand-Target Pair |