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SMILES: NC(=O)C1CN(Cc2ccccc2C#N)c2ccccc2O1
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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human)) | BDBM50576055 (CHEMBL4855963) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet  | PC cid PC sid UniChem | Article PubMed | 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Uncompetitive inhibition of His6-tagged SIRT1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant measured ever... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00017 BindingDB Entry DOI: 10.7270/Q2MK6HQZ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human)) | BDBM50576055 (CHEMBL4855963) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of His6-tagged SIRT1 (unknown origin) expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins followed by NAD+ addition and meas... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00017 BindingDB Entry DOI: 10.7270/Q2MK6HQZ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human)) | BDBM50576055 (CHEMBL4855963) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 4.73E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of His6-tagged SIRT1 (unknown origin) expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins followed by NAD+ addition and meas... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00017 BindingDB Entry DOI: 10.7270/Q2MK6HQZ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human)) | BDBM50576055 (CHEMBL4855963) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.77E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of His6-tagged/TEV fused SIRT2 (unknown origin) expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins followed by NAD+ additio... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00017 BindingDB Entry DOI: 10.7270/Q2MK6HQZ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human)) | BDBM50576055 (CHEMBL4855963) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 4.73E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of His6-tagged/TEV fused SIRT2 (unknown origin) expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins followed by NAD+ additio... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00017 BindingDB Entry DOI: 10.7270/Q2MK6HQZ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Homo sapiens (Human)) | BDBM50576055 (CHEMBL4855963) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of His6-tagged/TEV fused SIRT3 (unknown origin) expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins followed by NAD+ additio... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00017 BindingDB Entry DOI: 10.7270/Q2MK6HQZ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Homo sapiens (Human)) | BDBM50576055 (CHEMBL4855963) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of His6-tagged/TEV fused SIRT3 (unknown origin) expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins followed by NAD+ additio... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00017 BindingDB Entry DOI: 10.7270/Q2MK6HQZ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Homo sapiens (Human)) | BDBM50576055 (CHEMBL4855963) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of His6-tagged/TEV fused SIRT3 (unknown origin) expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins followed by NAD+ additio... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00017 BindingDB Entry DOI: 10.7270/Q2MK6HQZ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human)) | BDBM50576055 (CHEMBL4855963) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of His6-tagged SIRT1 (unknown origin) expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins followed by NAD+ addition and meas... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00017 BindingDB Entry DOI: 10.7270/Q2MK6HQZ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human)) | BDBM50576055 (CHEMBL4855963) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.77E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of His6-tagged/TEV fused SIRT2 (unknown origin) expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins followed by NAD+ additio... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00017 BindingDB Entry DOI: 10.7270/Q2MK6HQZ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
