Compile Data Set for Download or QSAR

Found 191 hits with Last Name = 'sundriyal' and Initial = 's'   

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-2 (Homo sapiens (Human))	BDBM50148827 (CHEMBL3769975) Show SMILES COc1ccc2ccccc2c1Cn1cnc2sc3CC(CCc3c2c1=O)NCc1cccnc1 Show InChI InChI=1S/C28H26N4O2S/c1-34-24-11-8-19-6-2-3-7-21(19)23(24)16-32-17-31-27-26(28(32)33)22-10-9-20(13-25(22)35-27)30-15-18-5-4-12-29-14-18/h2-8,11-12,14,17,20,30H,9-10,13,15-16H2,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 end residues) expressed in Escherichia coli using tubulin-K40 peptide in prese...				J Med Chem 60: 1928-1945 (2017) Article DOI: 10.1021/acs.jmedchem.6b01690 BindingDB Entry DOI: 10.7270/Q23F4SP1
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM21642 ((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...) Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant Pseudomonas aeruginosa MBL IMP-1 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis				Bioorg Med Chem Lett 22: 6229-32 (2012) Article DOI: 10.1016/j.bmcl.2012.08.012 BindingDB Entry DOI: 10.7270/Q2CF9RCZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase (Pseudomonas aeruginosa)	BDBM50421220 (CHEMBL2087628) Show SMILES OC(=O)[C@@H]1CSC(=N1)c1ccccc1 |r,c:6| Show InChI InChI=1S/C10H9NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)/t8-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant Pseudomonas aeruginosa MBL IMP-1 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis				Bioorg Med Chem Lett 22: 6229-32 (2012) Article DOI: 10.1016/j.bmcl.2012.08.012 BindingDB Entry DOI: 10.7270/Q2CF9RCZ
					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus anthracis)	BDBM50421214 (CHEMBL2087633) Show SMILES Nc1cccc(c1)C1=N[C@@H](CS1)C(O)=O |r,t:8| Show InChI InChI=1S/C10H10N2O2S/c11-7-3-1-2-6(4-7)9-12-8(5-15-9)10(13)14/h1-4,8H,5,11H2,(H,13,14)/t8-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis				Bioorg Med Chem Lett 22: 6229-32 (2012) Article DOI: 10.1016/j.bmcl.2012.08.012 BindingDB Entry DOI: 10.7270/Q2CF9RCZ
					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus anthracis)	BDBM21642 ((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...) Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.79E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis				Bioorg Med Chem Lett 22: 6229-32 (2012) Article DOI: 10.1016/j.bmcl.2012.08.012 BindingDB Entry DOI: 10.7270/Q2CF9RCZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM84558 (Phosphate analogue, 9) Show SMILES CC(=O)NCCCP(O)(O)=O Show InChI InChI=1S/C5H12NO4P/c1-5(7)6-3-2-4-11(8,9)10/h2-4H2,1H3,(H,6,7)(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		6.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase				Citation and Details
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50353128 (CHEMBL1231795) Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1 Show InChI InChI=1S/C30H47N5O2/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23/h20-24H,4-19H2,1-3H3,(H,31,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) using [histone H3 1 to 25 residues] and SAM substrate by scintillation proximity assay				Medchemcomm 5: 1821-1828 (2014) Article DOI: 10.1039/c4md00274a BindingDB Entry DOI: 10.7270/Q2V127VK
					More data for this Ligand-Target Pair				3D Structure (crystal)
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50028309 (Fosmidomycin Sodium) Show SMILES [Na+].ON(CCCP(O)([O-])=O)C=O Show InChI InChI=1S/C4H10NO5P.Na/c6-4-5(7)2-1-3-11(8,9)10;/h4,7H,1-3H2,(H2,8,9,10);/q;+1/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars		n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase				Citation and Details
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50498658 (CHEMBL3621579) Show SMILES COc1cc2nc(cc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCCN(C)CC1 Show InChI InChI=1S/C29H39N5O2/c1-32-12-7-13-34(17-16-32)29-20-26(24-18-27(35-2)28(36-3)19-25(24)31-29)30-23-10-14-33(15-11-23)21-22-8-5-4-6-9-22/h4-6,8-9,18-20,23H,7,10-17,21H2,1-3H3,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) using [histone H3 1 to 25 residues] and SAM substrate by scintillation proximity assay				Medchemcomm 5: 1821-1828 (2014) Article DOI: 10.1039/c4md00274a BindingDB Entry DOI: 10.7270/Q2V127VK
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50181153 (3-(N-hydroxyacetamido)propylphosphonic acid | 3-(N...) Show SMILES CC(=O)N(O)CCCP(O)(O)=O Show InChI InChI=1S/C5H12NO5P/c1-5(7)6(8)3-2-4-12(9,10)11/h8H,2-4H2,1H3,(H2,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase				Citation and Details
					More data for this Ligand-Target Pair				3D Structure (docked)
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50498656 (CHEMBL3621580) Show SMILES COc1cc2nc(cc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCN(C)CC1 Show InChI InChI=1S/C28H37N5O2/c1-31-13-15-33(16-14-31)28-19-25(23-17-26(34-2)27(35-3)18-24(23)30-28)29-22-9-11-32(12-10-22)20-21-7-5-4-6-8-21/h4-8,17-19,22H,9-16,20H2,1-3H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) using [histone H3 1 to 25 residues] and SAM substrate by scintillation proximity assay				Medchemcomm 5: 1821-1828 (2014) Article DOI: 10.1039/c4md00274a BindingDB Entry DOI: 10.7270/Q2V127VK
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50380000 (CHEMBL258981) Show SMILES CN(O)C(=O)CCCP(O)(O)=O Show InChI InChI=1S/C5H12NO5P/c1-6(8)5(7)3-2-4-12(9,10)11/h8H,2-4H2,1H3,(H2,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonism of norepinephrine induced contraction of rat isolated thoracic aorta.				Citation and Details
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50028309 (Fosmidomycin Sodium) Show SMILES [Na+].ON(CCCP(O)([O-])=O)C=O Show InChI InChI=1S/C4H10NO5P.Na/c6-4-5(7)2-1-3-11(8,9)10;/h4,7H,1-3H2,(H2,8,9,10);/q;+1/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars		n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonism of norepinephrine induced contraction of rat isolated thoracic aorta.				Citation and Details
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50300028 (CHEMBL569864 | N-(1-benzylpiperidin-4-yl)-6,7-dime...) Show SMILES COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCCN(C)CC1 Show InChI InChI=1S/C28H38N6O2/c1-32-12-7-13-34(17-16-32)28-30-24-19-26(36-3)25(35-2)18-23(24)27(31-28)29-22-10-14-33(15-11-22)20-21-8-5-4-6-9-21/h4-6,8-9,18-19,22H,7,10-17,20H2,1-3H3,(H,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) using [histone H3 1 to 25 residues] and SAM substrate by scintillation proximity assay				Medchemcomm 5: 1821-1828 (2014) Article DOI: 10.1039/c4md00274a BindingDB Entry DOI: 10.7270/Q2V127VK
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50028309 (Fosmidomycin Sodium) Show SMILES [Na+].ON(CCCP(O)([O-])=O)C=O Show InChI InChI=1S/C4H10NO5P.Na/c6-4-5(7)2-1-3-11(8,9)10;/h4,7H,1-3H2,(H2,8,9,10);/q;+1/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars		n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase				Citation and Details
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM50265301 (5-(4-phenoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)...) Show SMILES O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]\c2ccc(-[#8]-c3ccccc3)cc2)-[#6](=O)-[#7]-1 Show InChI InChI=1S/C17H12N2O4/c20-15-14(16(21)19-17(22)18-15)10-11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/h1-10H,(H2,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from mouse PPARgamma receptor by scintillation proximation assay				Bioorg Med Chem Lett 18: 4959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.08.028 BindingDB Entry DOI: 10.7270/Q2X066VZ
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50498655 (CHEMBL1895209) Show SMILES COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCN(C)CC1 Show InChI InChI=1S/C27H36N6O2/c1-31-13-15-33(16-14-31)27-29-23-18-25(35-3)24(34-2)17-22(23)26(30-27)28-21-9-11-32(12-10-21)19-20-7-5-4-6-8-20/h4-8,17-18,21H,9-16,19H2,1-3H3,(H,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) using [histone H3 1 to 25 residues] and SAM substrate by scintillation proximity assay				Medchemcomm 5: 1821-1828 (2014) Article DOI: 10.1039/c4md00274a BindingDB Entry DOI: 10.7270/Q2V127VK
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50181153 (3-(N-hydroxyacetamido)propylphosphonic acid | 3-(N...) Show SMILES CC(=O)N(O)CCCP(O)(O)=O Show InChI InChI=1S/C5H12NO5P/c1-5(7)6(8)3-2-4-12(9,10)11/h8H,2-4H2,1H3,(H2,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonism of phenylephrine stimulated contraction of the rat isolated spleen.				Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148827 (CHEMBL3769975) Show SMILES COc1ccc2ccccc2c1Cn1cnc2sc3CC(CCc3c2c1=O)NCc1cccnc1 Show InChI InChI=1S/C28H26N4O2S/c1-34-24-11-8-19-6-2-3-7-21(19)23(24)16-32-17-31-27-26(28(32)33)22-10-9-20(13-25(22)35-27)30-15-18-5-4-12-29-14-18/h2-8,11-12,14,17,20,30H,9-10,13,15-16H2,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 end residues) expressed in Escherichia coli in presence of NAD+ by enzyme coup...				J Med Chem 60: 1928-1945 (2017) Article DOI: 10.1021/acs.jmedchem.6b01690 BindingDB Entry DOI: 10.7270/Q23F4SP1
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50379999 (CHEMBL1161784) Show SMILES ONC(=O)CCCP(O)(O)=O Show InChI InChI=1S/C4H10NO5P/c6-4(5-7)2-1-3-11(8,9)10/h7H,1-3H2,(H,5,6)(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem		n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonism of norepinephrine induced contraction of rat isolated thoracic aorta.				Citation and Details
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM50265171 (4-(4-((2,4,6-trioxotetrahydropyrimidin-5(6H)-ylide...) Show SMILES O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]\c2ccc(-[#8]-[#6]-[#6]-[#8]-c3ccc(cc3)C#N)cc2)-[#6](=O)-[#7]-1 Show InChI InChI=1S/C20H15N3O5/c21-12-14-3-7-16(8-4-14)28-10-9-27-15-5-1-13(2-6-15)11-17-18(24)22-20(26)23-19(17)25/h1-8,11H,9-10H2,(H2,22,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from mouse PPARgamma receptor by scintillation proximation assay				Bioorg Med Chem Lett 18: 4959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.08.028 BindingDB Entry DOI: 10.7270/Q2X066VZ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Rattus norvegicus)	BDBM50271605 (2-(4-(2-fluorobenzyloxy)benzyl)-3-hydroxynaphthale...) Show SMILES Fc1ccccc1COc1ccc(CC2C(=O)C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C24H17FO4/c25-21-8-4-1-5-16(21)14-29-17-11-9-15(10-12-17)13-20-22(26)18-6-2-3-7-19(18)23(27)24(20)28/h1-12,20H,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Displacement of [3H]rosigliatzone from PPARgamma in rat adipocytes				Bioorg Med Chem Lett 18: 3192-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.072 BindingDB Entry DOI: 10.7270/Q2J9665P
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM50265213 (5-(4-((4-methoxyphenoxy)methyl)benzylidene)pyrimid...) Show SMILES [#6]-[#8]-c1ccc(-[#8]-[#6]-[#6]-[#8]-c2ccc(\[#6]=[#6]-3\[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-3=O)cc2)cc1 Show InChI InChI=1S/C20H18N2O6/c1-26-14-6-8-16(9-7-14)28-11-10-27-15-4-2-13(3-5-15)12-17-18(23)21-20(25)22-19(17)24/h2-9,12H,10-11H2,1H3,(H2,21,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from mouse PPARgamma receptor by scintillation proximation assay				Bioorg Med Chem Lett 18: 4959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.08.028 BindingDB Entry DOI: 10.7270/Q2X066VZ
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50501437 (CHEMBL4101347) Show SMILES O=c1n(Cc2cccc3cccnc23)cnc2sc3CC(CCc3c12)NCc1ccc(cc1)C#N Show InChI InChI=1S/C28H23N5OS/c29-14-18-6-8-19(9-7-18)15-31-22-10-11-23-24(13-22)35-27-25(23)28(34)33(17-32-27)16-21-4-1-3-20-5-2-12-30-26(20)21/h1-9,12,17,22,31H,10-11,13,15-16H2	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 end residues) expressed in Escherichia coli using p53 derived (379 to 382 resi...				J Med Chem 60: 1928-1945 (2017) Article DOI: 10.1021/acs.jmedchem.6b01690 BindingDB Entry DOI: 10.7270/Q23F4SP1
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148781 (CHEMBL3770903) Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)n1 Show InChI InChI=1S/C22H20N4OS2/c1-14-10-15(2)25-22(24-14)28-13-20(27)26-21-23-12-18(29-21)11-17-8-5-7-16-6-3-4-9-19(16)17/h3-10,12H,11,13H2,1-2H3,(H,23,26,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College Curated by ChEMBL					Assay Description Inhibition of human SIRT2 (25 to 389 residues) using (Z-Lys(Acetyl)-AMC) as substrate after 4 hrs in presence of NAD+ by fluorescence assay				J Med Chem 60: 1928-1945 (2017) Article DOI: 10.1021/acs.jmedchem.6b01690 BindingDB Entry DOI: 10.7270/Q23F4SP1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50498659 (CHEMBL1902352) Show SMILES COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCCCC1 Show InChI InChI=1S/C27H35N5O2/c1-33-24-17-22-23(18-25(24)34-2)29-27(32-13-7-4-8-14-32)30-26(22)28-21-11-15-31(16-12-21)19-20-9-5-3-6-10-20/h3,5-6,9-10,17-18,21H,4,7-8,11-16,19H2,1-2H3,(H,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	472	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) using [histone H3 1 to 25 residues] and SAM substrate by scintillation proximity assay				Medchemcomm 5: 1821-1828 (2014) Article DOI: 10.1039/c4md00274a BindingDB Entry DOI: 10.7270/Q2V127VK
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM50265270 (5-(4-((10H-phenoxazin-10-yl)methyl)benzylidene)pyr...) Show SMILES O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]\c2ccc(-[#8]-[#6]-[#6]-[#7]-3-c4ccccc4-[#8]-c4ccccc-34)cc2)-[#6](=O)-[#7]-1 Show InChI InChI=1S/C25H19N3O5/c29-23-18(24(30)27-25(31)26-23)15-16-9-11-17(12-10-16)32-14-13-28-19-5-1-3-7-21(19)33-22-8-4-2-6-20(22)28/h1-12,15H,13-14H2,(H2,26,27,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from mouse PPARgamma receptor by scintillation proximation assay				Bioorg Med Chem Lett 18: 4959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.08.028 BindingDB Entry DOI: 10.7270/Q2X066VZ
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50501456 (CHEMBL4088755) Show SMILES COc1ccc(Cn2cnc3sc4CC(CCc4c3c2=O)NCc2c(C)noc2C)c2ccccc12 Show InChI InChI=1S/C28H28N4O3S/c1-16-23(17(2)35-31-16)13-29-19-9-10-22-25(12-19)36-27-26(22)28(33)32(15-30-27)14-18-8-11-24(34-3)21-7-5-4-6-20(18)21/h4-8,11,15,19,29H,9-10,12-14H2,1-3H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 end residues) expressed in Escherichia coli using p53 derived (379 to 382 resi...				J Med Chem 60: 1928-1945 (2017) Article DOI: 10.1021/acs.jmedchem.6b01690 BindingDB Entry DOI: 10.7270/Q23F4SP1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase Su(var)3-9 (Drosophila melanogaster)	BDBM50315537 (CHEMBL1089316 | chaetocin) Show SMILES CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@]1(CO)SS3)[C@]12C[C@]34SS[C@](CO)(N(C)C3=O)C(=O)N4[C@H]1Nc1ccccc21 |r,THB:36:35:31.33:26.27,7:15:1.2:22.21,38:37:31.33:26.27,17:16:1.2:22.21| Show InChI InChI=1S/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19-,20-,25+,26+,27+,28+,29+,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of Drosophila melanogaster Histone-lysine N-methyltransferase Su(var)3-9				J Med Chem 56: 8616-25 (2013) Article DOI: 10.1021/jm401063r BindingDB Entry DOI: 10.7270/Q2NS0WDK
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50501455 (CHEMBL4091659) Show SMILES COc1ccc(CNC2CCc3c(C2)sc2ncn(Cc4c(OC)ccc5ccccc45)c(=O)c32)cc1 Show InChI InChI=1S/C30H29N3O3S/c1-35-22-11-7-19(8-12-22)16-31-21-10-13-24-27(15-21)37-29-28(24)30(34)33(18-32-29)17-25-23-6-4-3-5-20(23)9-14-26(25)36-2/h3-9,11-12,14,18,21,31H,10,13,15-17H2,1-2H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 end residues) expressed in Escherichia coli using p53 derived (379 to 382 resi...				J Med Chem 60: 1928-1945 (2017) Article DOI: 10.1021/acs.jmedchem.6b01690 BindingDB Entry DOI: 10.7270/Q23F4SP1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Rattus norvegicus)	BDBM50049240 ((+-)-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)m...) Show SMILES CCc1ccc(CCOc2ccc(Cc3sc(=O)[nH]c3O)cc2)nc1 Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,22H,2,9-11H2,1H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Displacement of [3H]rosigliatzone from PPARgamma in rat adipocytes				Bioorg Med Chem Lett 18: 3192-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.072 BindingDB Entry DOI: 10.7270/Q2J9665P
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM50049240 ((+-)-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)m...) Show SMILES CCc1ccc(CCOc2ccc(Cc3sc(=O)[nH]c3O)cc2)nc1 Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,22H,2,9-11H2,1H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from mouse PPARgamma receptor by scintillation proximation assay				Bioorg Med Chem Lett 18: 4959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.08.028 BindingDB Entry DOI: 10.7270/Q2X066VZ
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50501451 (CHEMBL4078889) Show SMILES COc1ccc(Cn2cnc3sc4CC(CCc4c3c2=O)NC2CCCC2)c2ccccc12 Show InChI InChI=1S/C27H29N3O2S/c1-32-23-13-10-17(20-8-4-5-9-21(20)23)15-30-16-28-26-25(27(30)31)22-12-11-19(14-24(22)33-26)29-18-6-2-3-7-18/h4-5,8-10,13,16,18-19,29H,2-3,6-7,11-12,14-15H2,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 end residues) expressed in Escherichia coli using p53 derived (379 to 382 resi...				J Med Chem 60: 1928-1945 (2017) Article DOI: 10.1021/acs.jmedchem.6b01690 BindingDB Entry DOI: 10.7270/Q23F4SP1
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SUV39H1 (Homo sapiens (Human))	BDBM50315537 (CHEMBL1089316 | chaetocin) Show SMILES CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@]1(CO)SS3)[C@]12C[C@]34SS[C@](CO)(N(C)C3=O)C(=O)N4[C@H]1Nc1ccccc21 |r,THB:36:35:31.33:26.27,7:15:1.2:22.21,38:37:31.33:26.27,17:16:1.2:22.21| Show InChI InChI=1S/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19-,20-,25+,26+,27+,28+,29+,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human Histone-lysine N-methyltransferase SUV39H1				J Med Chem 56: 8616-25 (2013) Article DOI: 10.1021/jm401063r BindingDB Entry DOI: 10.7270/Q2NS0WDK
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM50265211 (5-(3-(2-(p-tolyloxy)ethoxy)benzylidene)pyrimidine-...) Show SMILES [#6]-c1ccc(-[#8]-[#6]-[#6]-[#8]-c2cccc(\[#6]=[#6]-3\[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-3=O)c2)cc1 Show InChI InChI=1S/C20H18N2O5/c1-13-5-7-15(8-6-13)26-9-10-27-16-4-2-3-14(11-16)12-17-18(23)21-20(25)22-19(17)24/h2-8,11-12H,9-10H2,1H3,(H2,21,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from mouse PPARgamma receptor by scintillation proximation assay				Bioorg Med Chem Lett 18: 4959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.08.028 BindingDB Entry DOI: 10.7270/Q2X066VZ
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50501499 (CHEMBL4064852) Show SMILES Fc1ccc(NC2CCc3c(C2)sc2ncn(Cc4cccc5cccnc45)c(=O)c32)cc1 Show InChI InChI=1S/C26H21FN4OS/c27-18-6-8-19(9-7-18)30-20-10-11-21-22(13-20)33-25-23(21)26(32)31(15-29-25)14-17-4-1-3-16-5-2-12-28-24(16)17/h1-9,12,15,20,30H,10-11,13-14H2	PDB MMDB NCI 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
Imperial College Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 end residues) expressed in Escherichia coli using p53 derived (379 to 382 resi...				J Med Chem 60: 1928-1945 (2017) Article DOI: 10.1021/acs.jmedchem.6b01690 BindingDB Entry DOI: 10.7270/Q23F4SP1
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50501453 (CHEMBL4094485) Show SMILES COc1ccc2ccccc2c1Cn1cnc2sc3CC(CCc3c2c1=O)NC1CCOCC1 Show InChI InChI=1S/C27H29N3O3S/c1-32-23-9-6-17-4-2-3-5-20(17)22(23)15-30-16-28-26-25(27(30)31)21-8-7-19(14-24(21)34-26)29-18-10-12-33-13-11-18/h2-6,9,16,18-19,29H,7-8,10-15H2,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 end residues) expressed in Escherichia coli using p53 derived (379 to 382 resi...				J Med Chem 60: 1928-1945 (2017) Article DOI: 10.1021/acs.jmedchem.6b01690 BindingDB Entry DOI: 10.7270/Q23F4SP1
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50501450 (CHEMBL4091606) Show SMILES COc1ccc2ccccc2c1Cn1cnc2sc3CC(CCc3c2c1=O)NC1CCCC1 Show InChI InChI=1S/C27H29N3O2S/c1-32-23-13-10-17-6-2-5-9-20(17)22(23)15-30-16-28-26-25(27(30)31)21-12-11-19(14-24(21)33-26)29-18-7-3-4-8-18/h2,5-6,9-10,13,16,18-19,29H,3-4,7-8,11-12,14-15H2,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 end residues) expressed in Escherichia coli using p53 derived (379 to 382 resi...				J Med Chem 60: 1928-1945 (2017) Article DOI: 10.1021/acs.jmedchem.6b01690 BindingDB Entry DOI: 10.7270/Q23F4SP1
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50501494 (CHEMBL4105292) Show SMILES COc1ccc2ccccc2c1Cn1cnc2sc3CC(CCc3c2c1=O)NCc1ccncc1 Show InChI InChI=1S/C28H26N4O2S/c1-34-24-9-6-19-4-2-3-5-21(19)23(24)16-32-17-31-27-26(28(32)33)22-8-7-20(14-25(22)35-27)30-15-18-10-12-29-13-11-18/h2-6,9-13,17,20,30H,7-8,14-16H2,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 end residues) expressed in Escherichia coli using p53 derived (379 to 382 resi...				J Med Chem 60: 1928-1945 (2017) Article DOI: 10.1021/acs.jmedchem.6b01690 BindingDB Entry DOI: 10.7270/Q23F4SP1
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50501435 (CHEMBL4078845) Show SMILES Clc1ccc(CNC2CCc3c(C2)sc2ncn(Cc4cccc5cccnc45)c(=O)c32)cc1 Show InChI InChI=1S/C27H23ClN4OS/c28-20-8-6-17(7-9-20)14-30-21-10-11-22-23(13-21)34-26-24(22)27(33)32(16-31-26)15-19-4-1-3-18-5-2-12-29-25(18)19/h1-9,12,16,21,30H,10-11,13-15H2	PDB MMDB NCI 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
Imperial College Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 end residues) expressed in Escherichia coli using p53 derived (379 to 382 resi...				J Med Chem 60: 1928-1945 (2017) Article DOI: 10.1021/acs.jmedchem.6b01690 BindingDB Entry DOI: 10.7270/Q23F4SP1
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148827 (CHEMBL3769975) Show SMILES COc1ccc2ccccc2c1Cn1cnc2sc3CC(CCc3c2c1=O)NCc1cccnc1 Show InChI InChI=1S/C28H26N4O2S/c1-34-24-11-8-19-6-2-3-7-21(19)23(24)16-32-17-31-27-26(28(32)33)22-10-9-20(13-25(22)35-27)30-15-18-5-4-12-29-14-18/h2-8,11-12,14,17,20,30H,9-10,13,15-16H2,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL 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
Imperial College Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 end residues) expressed in Escherichia coli using p53 derived (379 to 382 resi...				J Med Chem 60: 1928-1945 (2017) Article DOI: 10.1021/acs.jmedchem.6b01690 BindingDB Entry DOI: 10.7270/Q23F4SP1
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50501452 (CHEMBL4073924) Show SMILES O=c1n(Cc2cccc(c2)-c2ccccc2)cnc2sc3CC(CCc3c12)NC1CCCC1 Show InChI InChI=1S/C28H29N3OS/c32-28-26-24-14-13-23(30-22-11-4-5-12-22)16-25(24)33-27(26)29-18-31(28)17-19-7-6-10-21(15-19)20-8-2-1-3-9-20/h1-3,6-10,15,18,22-23,30H,4-5,11-14,16-17H2	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 end residues) expressed in Escherichia coli using p53 derived (379 to 382 resi...				J Med Chem 60: 1928-1945 (2017) Article DOI: 10.1021/acs.jmedchem.6b01690 BindingDB Entry DOI: 10.7270/Q23F4SP1
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50501485 (CHEMBL4061689) Show SMILES COc1ccc2ccccc2c1Cn1cnc2sc3CC(CCc3c2c1=O)NCC1CCCCC1 Show InChI InChI=1S/C29H33N3O2S/c1-34-25-14-11-20-9-5-6-10-22(20)24(25)17-32-18-31-28-27(29(32)33)23-13-12-21(15-26(23)35-28)30-16-19-7-3-2-4-8-19/h5-6,9-11,14,18-19,21,30H,2-4,7-8,12-13,15-17H2,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 end residues) expressed in Escherichia coli using p53 derived (379 to 382 resi...				J Med Chem 60: 1928-1945 (2017) Article DOI: 10.1021/acs.jmedchem.6b01690 BindingDB Entry DOI: 10.7270/Q23F4SP1
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50501507 (CHEMBL4093162) Show SMILES Fc1cccc(CNC2CCc3c(C2)sc2ncn(Cc4cccc5cccnc45)c(=O)c32)c1 Show InChI InChI=1S/C27H23FN4OS/c28-20-8-1-4-17(12-20)14-30-21-9-10-22-23(13-21)34-26-24(22)27(33)32(16-31-26)15-19-6-2-5-18-7-3-11-29-25(18)19/h1-8,11-12,16,21,30H,9-10,13-15H2	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 end residues) expressed in Escherichia coli using p53 derived (379 to 382 resi...				J Med Chem 60: 1928-1945 (2017) Article DOI: 10.1021/acs.jmedchem.6b01690 BindingDB Entry DOI: 10.7270/Q23F4SP1
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50501472 (CHEMBL4092831) Show SMILES O=c1n(Cc2cccc(c2)-c2ccccc2)cnc2sc3CC(CCc3c12)NC1CCOCC1 Show InChI InChI=1S/C28H29N3O2S/c32-28-26-24-10-9-23(30-22-11-13-33-14-12-22)16-25(24)34-27(26)29-18-31(28)17-19-5-4-8-21(15-19)20-6-2-1-3-7-20/h1-8,15,18,22-23,30H,9-14,16-17H2	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 end residues) expressed in Escherichia coli using p53 derived (379 to 382 resi...				J Med Chem 60: 1928-1945 (2017) Article DOI: 10.1021/acs.jmedchem.6b01690 BindingDB Entry DOI: 10.7270/Q23F4SP1
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50501491 (CHEMBL4094149) Show SMILES COc1ccc(CNC2CCc3c(C2)sc2ncn(Cc4cccc5cccnc45)c(=O)c32)cc1 Show InChI InChI=1S/C28H26N4O2S/c1-34-22-10-7-18(8-11-22)15-30-21-9-12-23-24(14-21)35-27-25(23)28(33)32(17-31-27)16-20-5-2-4-19-6-3-13-29-26(19)20/h2-8,10-11,13,17,21,30H,9,12,14-16H2,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 end residues) expressed in Escherichia coli using p53 derived (379 to 382 resi...				J Med Chem 60: 1928-1945 (2017) Article DOI: 10.1021/acs.jmedchem.6b01690 BindingDB Entry DOI: 10.7270/Q23F4SP1
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50501510 (CHEMBL4071269) Show SMILES Cc1noc(C)c1CNC1CCc2c(C1)sc1ncn(Cc3cccc4ccccc34)c(=O)c21 Show InChI InChI=1S/C27H26N4O2S/c1-16-23(17(2)33-30-16)13-28-20-10-11-22-24(12-20)34-26-25(22)27(32)31(15-29-26)14-19-8-5-7-18-6-3-4-9-21(18)19/h3-9,15,20,28H,10-14H2,1-2H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 end residues) expressed in Escherichia coli using p53 derived (379 to 382 resi...				J Med Chem 60: 1928-1945 (2017) Article DOI: 10.1021/acs.jmedchem.6b01690 BindingDB Entry DOI: 10.7270/Q23F4SP1
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50501481 (CHEMBL4104283) Show SMILES COc1ccc(CNC2CCc3c(C2)sc2ncn(Cc4c(OC)ccc5ccccc45)c(=O)c32)cn1 Show InChI InChI=1S/C29H28N4O3S/c1-35-24-11-8-19-5-3-4-6-21(19)23(24)16-33-17-32-28-27(29(33)34)22-10-9-20(13-25(22)37-28)30-14-18-7-12-26(36-2)31-15-18/h3-8,11-12,15,17,20,30H,9-10,13-14,16H2,1-2H3	PDB MMDB NCI 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
Imperial College Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 end residues) expressed in Escherichia coli using p53 derived (379 to 382 resi...				J Med Chem 60: 1928-1945 (2017) Article DOI: 10.1021/acs.jmedchem.6b01690 BindingDB Entry DOI: 10.7270/Q23F4SP1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Rattus norvegicus)	BDBM50271732 (4-(2-(4-((3-hydroxy-1,4-dioxo-1,4-dihydronaphthale...) Show SMILES O=C1C(Cc2ccc(OCCOc3ccc(cc3)C#N)cc2)C(=O)c2ccccc2C1=O Show InChI InChI=1S/C26H19NO5/c27-16-18-7-11-20(12-8-18)32-14-13-31-19-9-5-17(6-10-19)15-23-24(28)21-3-1-2-4-22(21)25(29)26(23)30/h1-12,23H,13-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Displacement of [3H]rosigliatzone from PPARgamma in rat adipocytes				Bioorg Med Chem Lett 18: 3192-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.072 BindingDB Entry DOI: 10.7270/Q2J9665P
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50501457 (CHEMBL4084437) Show SMILES COc1ccc2ccccc2c1Cn1cnc2sc3CC(CCc3c2c1=O)NCC1CCCO1 Show InChI InChI=1S/C27H29N3O3S/c1-32-23-11-8-17-5-2-3-7-20(17)22(23)15-30-16-29-26-25(27(30)31)21-10-9-18(13-24(21)34-26)28-14-19-6-4-12-33-19/h2-3,5,7-8,11,16,18-19,28H,4,6,9-10,12-15H2,1H3	PDB MMDB NCI 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
Imperial College Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 end residues) expressed in Escherichia coli using p53 derived (379 to 382 resi...				J Med Chem 60: 1928-1945 (2017) Article DOI: 10.1021/acs.jmedchem.6b01690 BindingDB Entry DOI: 10.7270/Q23F4SP1
					More data for this Ligand-Target Pair

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