BDBM50439468 CHEMBL2417682
SMILES: COc1ccc(cc1)C(=O)CNC(=O)[C@H](CCCCNC(C)=S)NC(=O)OCc1ccccc1
InChI Key: InChIKey=QZSFWXXFHHBQTB-QFIPXVFZSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NAD-dependent protein deacetylase sirtuin-3 (SIRT3) (Homo sapiens (Human)) | BDBM50439468 (CHEMBL2417682) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Eastern Finland Curated by ChEMBL | Assay Description Inhibition of human recombinant His-tagged SIRT3 using KI179 as substrate preincubated for 5 mins followed by enzyme addition measured after 1 hr by ... | J Med Chem 56: 6681-95 (2013) Article DOI: 10.1021/jm400438k BindingDB Entry DOI: 10.7270/Q2H41SVR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
NAD-Dependent Deacetylase Sirtuin-1 (Homo sapiens (Human)) | BDBM50439468 (CHEMBL2417682) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 890 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Eastern Finland Curated by ChEMBL | Assay Description Inhibition of human recombinant GST-tagged SIRT1 using KI177 as substrate preincubated for 5 mins followed by enzyme addition measured after 1 hr by ... | J Med Chem 56: 6681-95 (2013) Article DOI: 10.1021/jm400438k BindingDB Entry DOI: 10.7270/Q2H41SVR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
NAD-dependent deacetylase sirtuin 2 (Homo sapiens (Human)) | BDBM50439468 (CHEMBL2417682) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Eastern Finland Curated by ChEMBL | Assay Description Inhibition of human recombinant GST-tagged SIRT2 using KI179 as substrate preincubated for 5 mins followed by enzyme addition measured after 1 hr by ... | J Med Chem 56: 6681-95 (2013) Article DOI: 10.1021/jm400438k BindingDB Entry DOI: 10.7270/Q2H41SVR | |||||||||||
More data for this Ligand-Target Pair |