Affinity Data by PDB ID

PDB code 4RMJ

Identical Ligands in BindingDB

Found 9 hits Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
NAD-dependent protein deacetylase sirtuin-2 (301/301 = 100%)^† (Homo sapiens (Human))	BDBM27507 (3-Pyridinecarboxamide \| CHEMBL1140 \| NAM \| niacina...) Show SMILES NC(=O)c1cccnc1 Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT2 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2 (301/301 = 100%)^† (Homo sapiens (Human))	BDBM27507 (3-Pyridinecarboxamide \| CHEMBL1140 \| NAM \| niacina...) Show SMILES NC(=O)c1cccnc1 Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human SIRT2 using MPSDKTIGG as substrate by liquid scintillation counting analysis in presence of [3H]-acetic ac...				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
Albert-Ludwigs-University Freiburg Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2 (301/301 = 100%)^† (Homo sapiens (Human))	BDBM27507 (3-Pyridinecarboxamide \| CHEMBL1140 \| NAM \| niacina...) Show SMILES NC(=O)c1cccnc1 Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT2 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
National University of Singapore Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2 (301/301 = 100%)^† (Homo sapiens (Human))	BDBM27507 (3-Pyridinecarboxamide \| CHEMBL1140 \| NAM \| niacina...) Show SMILES NC(=O)c1cccnc1 Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of full length human SIRT2 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...				J Med Chem 57: 8340-57 (2014) Article DOI: 10.1021/jm500777s BindingDB Entry DOI: 10.7270/Q2KK9DDH
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2 (301/301 = 100%)^† (Homo sapiens (Human))	BDBM27507 (3-Pyridinecarboxamide \| CHEMBL1140 \| NAM \| niacina...) Show SMILES NC(=O)c1cccnc1 Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT2				Bioorg Med Chem 23: 328-39 (2015) Article DOI: 10.1016/j.bmc.2014.11.027 BindingDB Entry DOI: 10.7270/Q2736SJS
The University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2 (301/301 = 100%)^† (Homo sapiens (Human))	BDBM27507 (3-Pyridinecarboxamide \| CHEMBL1140 \| NAM \| niacina...) Show SMILES NC(=O)c1cccnc1 Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT2 after 60 mins by fluorimetric analysis				Bioorg Med Chem Lett 19: 5670-2 (2009) Article DOI: 10.1016/j.bmcl.2009.08.028 BindingDB Entry DOI: 10.7270/Q2WH2Q1R
Nagoya City University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2 (301/301 = 100%)^† (Homo sapiens (Human))	BDBM27507 (3-Pyridinecarboxamide \| CHEMBL1140 \| NAM \| niacina...) Show SMILES NC(=O)c1cccnc1 Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-Universität Freiburg Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT2				J Med Chem 49: 7307-16 (2006) Article DOI: 10.1021/jm060118b BindingDB Entry DOI: 10.7270/Q2TQ616P
Albert-Ludwigs-Universität Freiburg Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2 (301/301 = 100%)^† (Homo sapiens (Human))	BDBM27507 (3-Pyridinecarboxamide \| CHEMBL1140 \| NAM \| niacina...) Show SMILES NC(=O)c1cccnc1 Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-Universit£t Freiburg Curated by ChEMBL					Assay Description Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay				J Med Chem 51: 1203-13 (2008) Article DOI: 10.1021/jm700972e BindingDB Entry DOI: 10.7270/Q22N534Q
Albert-Ludwigs-Universit£t Freiburg Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2 (301/301 = 100%)^† (Homo sapiens (Human))	BDBM27507 (3-Pyridinecarboxamide \| CHEMBL1140 \| NAM \| niacina...) Show SMILES NC(=O)c1cccnc1 Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.01E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged SIRT2 by histone deacetylase assay				J Med Chem 47: 6292-8 (2004) Article DOI: 10.1021/jm049933m BindingDB Entry DOI: 10.7270/Q2S1820Z
University of Kuopio Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output