BDBM50540171 CHEMBL4643727
SMILES: [H][C@]1(C[C@H]1C(=O)NC[C@@H]1C[C@H]1C)[C@]12CN(C[C@@]1([H])CSC(N)=N2)c1ncccn1
InChI Key: InChIKey=UKXLLHCQBVONES-MPDRSUQMSA-N
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 |
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Beta-secretase 1 (Homo sapiens (Human)) | BDBM50540171![]() (CHEMBL4643727) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | PubMed | n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company Curated by ChEMBL | Assay Description Inhibition of human BACE1 (1 to 460 residues) expressed in HEK293 cells using mcaFRET peptide as substrate after 20 hrs by FRET assay | Bioorg Med Chem 28: (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50540171![]() (CHEMBL4643727) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | PubMed | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company Curated by ChEMBL | Assay Description Inhibition of BACE1 (unknown origin) by cell based assay | Bioorg Med Chem 28: (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM50540171![]() (CHEMBL4643727) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | PubMed | n/a | n/a | 9.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company Curated by ChEMBL | Assay Description Inhibition of human cathepsin D | Bioorg Med Chem 28: (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 2 (Homo sapiens (Human)) | BDBM50540171![]() (CHEMBL4643727) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | PubMed | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company Curated by ChEMBL | Assay Description Inhibition of human BACE2 | Bioorg Med Chem 28: (2020) | |||||||||||
More data for this Ligand-Target Pair |