BDBM50452875 CHEMBL4212046
SMILES: [H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1ncc(s1)C(=O)Nc1cccc(OC)n1
InChI Key: InChIKey=JQPUNKDGBVSSQO-FHGNATFXSA-N
Data: 4 IC50
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)) | BDBM50452875 (CHEMBL4212046) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 0.0330 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of BACE1 in human H4 cells transfected with wild type APP assessed as reduction in soluble portion of APPbeta level in cells incubated for... | J Med Chem 61: 4476-4504 (2018) Article DOI: 10.1021/acs.jmedchem.8b00246 BindingDB Entry DOI: 10.7270/Q23J3GJ5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM50452875 (CHEMBL4212046) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of Cathepsin D (unknown origin) by fluorescence polarization assay | J Med Chem 61: 4476-4504 (2018) Article DOI: 10.1021/acs.jmedchem.8b00246 BindingDB Entry DOI: 10.7270/Q23J3GJ5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae) | BDBM50452875 (CHEMBL4212046) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of human ERG expressed in CHOK1 cells for 5 mins at -80 mV holding potential by patch clamp method | J Med Chem 61: 4476-4504 (2018) Article DOI: 10.1021/acs.jmedchem.8b00246 BindingDB Entry DOI: 10.7270/Q23J3GJ5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50452875 (CHEMBL4212046) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of human BACE1 using biotin-GLTNIKTEEISEISYEVEFR-C[Oregon green]KK-OH as substrate after 3 hrs by fluorescence polarization assay | J Med Chem 61: 4476-4504 (2018) Article DOI: 10.1021/acs.jmedchem.8b00246 BindingDB Entry DOI: 10.7270/Q23J3GJ5 | |||||||||||
More data for this Ligand-Target Pair |