Compile Data Set for Download or QSAR

Found 192 hits Enz. Inhib. hit(s) with all data for entry = 50014426   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50178769 ((+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-c...) Show SMILES NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21 Show InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	114	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))	BDBM50576050 (CHEMBL4858009) Show SMILES NC(=O)C1CN(Cc2ccccc2[N+]([O-])=O)c2ccccc2O1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	285	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) Show SMILES NC(=O)C1CN(Cc2ccccc2C#N)c2ccccc2O1 Show InChI	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))	BDBM50178769 ((+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-c...) Show SMILES NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21 Show InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	48	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))	BDBM50576050 (CHEMBL4858009) Show SMILES NC(=O)C1CN(Cc2ccccc2[N+]([O-])=O)c2ccccc2O1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	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) Show SMILES NC(=O)C1CN(Cc2ccccc2C#N)c2ccccc2O1 Show InChI	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) Show SMILES NC(=O)C1CN(Cc2ccccc2C#N)c2ccccc2O1 Show InChI	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))	BDBM50576049 (CHEMBL4876032) Show SMILES NC(=O)C1CN(Cc2cccc(c2)[N+]([O-])=O)c2ccccc2O1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	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))	BDBM50576056 (CHEMBL4846832) Show SMILES NC(=O)C1CN(Cc2cccc(c2)C#N)c2ccccc2O1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	430	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))	BDBM50576063 (CHEMBL4847946) Show SMILES NC(=O)C1CN(Cc2ccccc2I)c2ccccc2O1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	470	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))	BDBM50576068 (CHEMBL4871919) Show SMILES COC(=O)c1ccccc1CN1CC(Oc2ccccc12)C(N)=O Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	490	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))	BDBM50178769 ((+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-c...) Show SMILES NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21 Show InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	500	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				3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50576075 (CHEMBL4868419) Show SMILES NC(=O)C1CN(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ccccc2O1 Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	520	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-1 (Homo sapiens (Human))	BDBM50576062 (CHEMBL4874547) Show SMILES NC(=O)C1CN(Cc2ccccc2Br)c2ccccc2O1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	560	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))	BDBM50576059 (CHEMBL4861853) Show SMILES NC(=O)C1CN(Cc2ccc3nonc3c2)c2ccccc2O1 Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	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-1 (Homo sapiens (Human))	BDBM50576058 (CHEMBL4869997) Show SMILES CC(=O)Nc1nc(CN2CC(Oc3ccccc23)C(N)=O)cs1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	620	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))	BDBM50576061 (CHEMBL4863826) Show SMILES NC(=O)C1CN(Cc2ccccc2Cl)c2ccccc2O1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	670	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))	BDBM50576040 (CHEMBL4876979) Show SMILES NC(=O)C1CN(Cc2ccccc2O)c2ccccc2O1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	820	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))	BDBM50576064 (CHEMBL4874493) Show SMILES NC(=O)C1CN(Cc2ccccc2C(F)(F)F)c2ccccc2O1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	970	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))	BDBM50576074 (CHEMBL4866570) Show SMILES NC(=O)C1CN(Cc2ccc(cc2)[N+]([O-])=O)c2ccccc2O1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.06E+3	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))	BDBM50576072 (CHEMBL4876108) Show SMILES NC(=O)C1CN(Cc2cccc(Br)c2)c2ccccc2O1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.27E+3	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))	BDBM50576038 (CHEMBL4874876) Show SMILES COc1ccc(CN2CC(Oc3ccccc23)C(N)=O)cc1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.45E+3	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))	BDBM50576048 (CHEMBL4867773) Show SMILES NC(=O)C1CN(Cc2csc(N)n2)c2ccccc2O1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.48E+3	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))	BDBM50576072 (CHEMBL4876108) Show SMILES NC(=O)C1CN(Cc2cccc(Br)c2)c2ccccc2O1 Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.76E+3	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-1 (Homo sapiens (Human))	BDBM50576060 (CHEMBL4862410) Show SMILES NC(=O)C1CN(Cc2ccccc2F)c2ccccc2O1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.77E+3	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))	BDBM50576057 (CHEMBL4862252) Show SMILES NC(=O)C1CN(Cc2ccc3OCOc3c2)c2ccccc2O1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	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))	BDBM50576043 (CHEMBL4879347) Show SMILES NC(=O)C1CN(Cc2ccccn2)c2ccccc2O1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	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))	BDBM50576073 (CHEMBL4861333) Show SMILES COc1cccc(CN2CC(Oc3ccccc23)C(N)=O)c1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.13E+3	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))	BDBM50576054 (CHEMBL4847736) Show SMILES CC(=O)Nc1cccc(CN2CC(Oc3ccccc23)C(N)=O)c1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+3	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))	BDBM50576065 (CHEMBL4847107) Show SMILES Cc1ccccc1CN1CC(Oc2ccccc12)C(N)=O Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.49E+3	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))	BDBM50576041 (CHEMBL4851493) Show SMILES COC(=O)c1ccc(CN2CC(Oc3ccccc23)C(N)=O)cc1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.45E+3	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))	BDBM50576049 (CHEMBL4876032) Show SMILES NC(=O)C1CN(Cc2cccc(c2)[N+]([O-])=O)c2ccccc2O1 Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.19E+3	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-1 (Homo sapiens (Human))	BDBM50576044 (CHEMBL4863020) Show SMILES NC(=O)C1CN(Cc2cccnc2)c2ccccc2O1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70E+3	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))	BDBM50576051 (CHEMBL4856119) Show SMILES NC(=O)C1CN(Cc2ccccc2N)c2ccccc2O1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.91E+3	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))	BDBM50576037 (CHEMBL4877982) Show SMILES CC(C)(C)OC(=O)Nc1nc(CN2CC(Oc3ccccc23)C(N)=O)cs1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.63E+3	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))	BDBM50576075 (CHEMBL4868419) Show SMILES NC(=O)C1CN(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ccccc2O1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.04E+3	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-3, mitochondrial (Homo sapiens (Human))	BDBM50178769 ((+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-c...) Show SMILES NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21 Show InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.40E+3	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				3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50576046 (CHEMBL4855315) Show SMILES NC(=O)C1CN(Cc2cn(Cc3ccccc3)nn2)c2ccccc2O1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.05E+3	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))	BDBM50576071 (CHEMBL4858945) Show SMILES NC(=O)C1CN(Cc2ccccc2)c2ccccc2O1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.54E+3	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))	BDBM50576053 (CHEMBL4852582) Show SMILES CC(=O)Nc1ccc(CN2CC(Oc3ccccc23)C(N)=O)cc1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.04E+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))	BDBM50576050 (CHEMBL4858009) Show SMILES NC(=O)C1CN(Cc2ccccc2[N+]([O-])=O)c2ccccc2O1 Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.06E+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))	BDBM50576056 (CHEMBL4846832) Show SMILES NC(=O)C1CN(Cc2cccc(c2)C#N)c2ccccc2O1 Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.12E+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))	BDBM50576040 (CHEMBL4876979) Show SMILES NC(=O)C1CN(Cc2ccccc2O)c2ccccc2O1 Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.23E+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))	BDBM50576058 (CHEMBL4869997) Show SMILES CC(=O)Nc1nc(CN2CC(Oc3ccccc23)C(N)=O)cs1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.29E+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))	BDBM50576070 (CHEMBL4852795) Show SMILES NC(=O)C1CN(Cc2ccccc2C(O)=O)c2ccccc2O1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.39E+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-1 (Homo sapiens (Human))	BDBM50576047 (CHEMBL4871146) Show SMILES NC(=O)C1CN(Cc2cnnn2Cc2ccccc2)c2ccccc2O1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.41E+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))	BDBM50576073 (CHEMBL4861333) Show SMILES COc1cccc(CN2CC(Oc3ccccc23)C(N)=O)c1 Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.54E+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))	BDBM50576062 (CHEMBL4874547) Show SMILES NC(=O)C1CN(Cc2ccccc2Br)c2ccccc2O1 Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.66E+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-1 (Homo sapiens (Human))	BDBM50576042 (CHEMBL4863048) Show SMILES CC(C)(C)OC(=O)c1ccc(CN2CC(Oc3ccccc23)C(N)=O)cc1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.01E+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))	BDBM50576065 (CHEMBL4847107) Show SMILES Cc1ccccc1CN1CC(Oc2ccccc12)C(N)=O Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.22E+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

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