Compile Data Set for Download or QSAR

Found 38 hits with Last Name = 'kokkola' and Initial = 't'   

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
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50500383 (CHEMBL3746420) Show SMILES COC(C)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2-c2ccc(F)cc2)S(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C27H28F2N2O4S/c1-18(35-2)20-6-11-26(25(29)16-20)30-12-14-31(15-13-30)27(32)24-17-22(36(3,33)34)9-10-23(24)19-4-7-21(28)8-5-19/h4-11,16-18H,12-15H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of GlyT1 (unknown origin) expressed in HEK293 cells by scintillation proximity assay				Eur J Med Chem 107: 119-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.050 BindingDB Entry DOI: 10.7270/Q22V2K4F
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50439469 (CHEMBL2417696) Show SMILES CC(=S)NCCCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)C(=O)NCC(=O)c1ccccc1 |r| Show InChI InChI=1S/C29H36N4O6S/c1-20(40)30-15-9-8-14-24(27(36)31-17-26(35)22-12-6-3-7-13-22)32-28(37)25-16-23(34)18-33(25)29(38)39-19-21-10-4-2-5-11-21/h2-7,10-13,23-25,34H,8-9,14-19H2,1H3,(H,30,40)(H,31,36)(H,32,37)/t23-,24+,25+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	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 protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50439468 (CHEMBL2417682) Show SMILES COc1ccc(cc1)C(=O)CNC(=O)[C@H](CCCCNC(C)=S)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C25H31N3O5S/c1-18(34)26-15-7-6-10-22(28-25(31)33-17-19-8-4-3-5-9-19)24(30)27-16-23(29)20-11-13-21(32-2)14-12-20/h3-5,8-9,11-14,22H,6-7,10,15-17H2,1-2H3,(H,26,34)(H,27,30)(H,28,31)/t22-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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 protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50395320 (CHEMBL2164016) Show SMILES CCCCC[C@H]1CC(=O)c2cc(Cl)cc(Br)c2O1 |r| Show InChI InChI=1S/C14H16BrClO2/c1-2-3-4-5-10-8-13(17)11-6-9(16)7-12(15)14(11)18-10/h6-7,10H,2-5,8H2,1H3/t10-/m0/s1	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	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged sirtuin-2 (unknown origin) using KI179 as substrate after 1 hr by fluorescence assay				J Med Chem 57: 9870-88 (2014) Article DOI: 10.1021/jm500930h BindingDB Entry DOI: 10.7270/Q2ST7RG2
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50032645 (CHEMBL3354204) Show SMILES CCCCCC1CC(=O)c2cc(Br)cc(Cl)c2O1 Show InChI InChI=1S/C14H16BrClO2/c1-2-3-4-5-10-8-13(17)11-6-9(15)7-12(16)14(11)18-10/h6-7,10H,2-5,8H2,1H3	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	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged sirtuin-2 (unknown origin) using KI179 as substrate after 1 hr by fluorescence assay				J Med Chem 57: 9870-88 (2014) Article DOI: 10.1021/jm500930h BindingDB Entry DOI: 10.7270/Q2ST7RG2
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50439469 (CHEMBL2417696) Show SMILES CC(=S)NCCCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)C(=O)NCC(=O)c1ccccc1 |r| Show InChI InChI=1S/C29H36N4O6S/c1-20(40)30-15-9-8-14-24(27(36)31-17-26(35)22-12-6-3-7-13-22)32-28(37)25-16-23(34)18-33(25)29(38)39-19-21-10-4-2-5-11-21/h2-7,10-13,23-25,34H,8-9,14-19H2,1H3,(H,30,40)(H,31,36)(H,32,37)/t23-,24+,25+/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+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
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50032636 (CHEMBL3354206) Show SMILES COC(=O)CCCC1CC(=O)c2cc(Cl)cc(Br)c2O1 Show InChI InChI=1S/C14H14BrClO4/c1-19-13(18)4-2-3-9-7-12(17)10-5-8(16)6-11(15)14(10)20-9/h5-6,9H,2-4,7H2,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged sirtuin-2 (unknown origin) using KI179 as substrate after 1 hr by fluorescence assay				J Med Chem 57: 9870-88 (2014) Article DOI: 10.1021/jm500930h BindingDB Entry DOI: 10.7270/Q2ST7RG2
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50439468 (CHEMBL2417682) Show SMILES COc1ccc(cc1)C(=O)CNC(=O)[C@H](CCCCNC(C)=S)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C25H31N3O5S/c1-18(34)26-15-7-6-10-22(28-25(31)33-17-19-8-4-3-5-9-19)24(30)27-16-23(29)20-11-13-21(32-2)14-12-20/h3-5,8-9,11-14,22H,6-7,10,15-17H2,1-2H3,(H,26,34)(H,27,30)(H,28,31)/t22-/m0/s1	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
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50032635 (CHEMBL3354201) Show SMILES Clc1cc(Br)c2OC(CCc3cccnc3)CC(=O)c2c1 Show InChI InChI=1S/C16H13BrClNO2/c17-14-7-11(18)6-13-15(20)8-12(21-16(13)14)4-3-10-2-1-5-19-9-10/h1-2,5-7,9,12H,3-4,8H2	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	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged sirtuin-2 (unknown origin) using KI179 as substrate after 1 hr by fluorescence assay				J Med Chem 57: 9870-88 (2014) Article DOI: 10.1021/jm500930h BindingDB Entry DOI: 10.7270/Q2ST7RG2
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Homo sapiens (Human))	BDBM50439469 (CHEMBL2417696) Show SMILES CC(=S)NCCCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)C(=O)NCC(=O)c1ccccc1 |r| Show InChI InChI=1S/C29H36N4O6S/c1-20(40)30-15-9-8-14-24(27(36)31-17-26(35)22-12-6-3-7-13-22)32-28(37)25-16-23(34)18-33(25)29(38)39-19-21-10-4-2-5-11-21/h2-7,10-13,23-25,34H,8-9,14-19H2,1H3,(H,30,40)(H,31,36)(H,32,37)/t23-,24+,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.89E+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 protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50395314 (CHEMBL2164014) Show SMILES CCCCCC1CC(=O)c2cc(Cl)cc(Br)c2O1 Show InChI InChI=1S/C14H16BrClO2/c1-2-3-4-5-10-8-13(17)11-6-9(16)7-12(15)14(11)18-10/h6-7,10H,2-5,8H2,1H3	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	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged sirtuin-2 (unknown origin) using KI179 as substrate after 1 hr by fluorescence assay				J Med Chem 57: 9870-88 (2014) Article DOI: 10.1021/jm500930h BindingDB Entry DOI: 10.7270/Q2ST7RG2
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50395321 (CHEMBL2164015) Show SMILES CCCCC[C@@H]1CC(=O)c2cc(Cl)cc(Br)c2O1 |r| Show InChI InChI=1S/C14H16BrClO2/c1-2-3-4-5-10-8-13(17)11-6-9(16)7-12(15)14(11)18-10/h6-7,10H,2-5,8H2,1H3/t10-/m1/s1	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	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged sirtuin-2 (unknown origin) using KI179 as substrate after 1 hr by fluorescence assay				J Med Chem 57: 9870-88 (2014) Article DOI: 10.1021/jm500930h BindingDB Entry DOI: 10.7270/Q2ST7RG2
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50439467 (CHEMBL2417685) Show SMILES COc1ccc2[nH]cc(CCNC(=O)[C@H](CCCCNC(C)=S)NC(=O)OCc3ccccc3)c2c1 |r| Show InChI InChI=1S/C27H34N4O4S/c1-19(36)28-14-7-6-10-25(31-27(33)35-18-20-8-4-3-5-9-20)26(32)29-15-13-21-17-30-24-12-11-22(34-2)16-23(21)24/h3-5,8-9,11-12,16-17,25,30H,6-7,10,13-15,18H2,1-2H3,(H,28,36)(H,29,32)(H,31,33)/t25-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.98E+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 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 protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50395316 (CHEMBL2164005) Show SMILES Clc1cc(Br)c2OC(CCc3ccccc3)CC(=O)c2c1 Show InChI InChI=1S/C17H14BrClO2/c18-15-9-12(19)8-14-16(20)10-13(21-17(14)15)7-6-11-4-2-1-3-5-11/h1-5,8-9,13H,6-7,10H2	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	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged sirtuin-2 (unknown origin) using KI179 as substrate after 1 hr by fluorescence assay				J Med Chem 57: 9870-88 (2014) Article DOI: 10.1021/jm500930h BindingDB Entry DOI: 10.7270/Q2ST7RG2
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Homo sapiens (Human))	BDBM50439468 (CHEMBL2417682) Show SMILES COc1ccc(cc1)C(=O)CNC(=O)[C@H](CCCCNC(C)=S)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C25H31N3O5S/c1-18(34)26-15-7-6-10-22(28-25(31)33-17-19-8-4-3-5-9-19)24(30)27-16-23(29)20-11-13-21(32-2)14-12-20/h3-5,8-9,11-14,22H,6-7,10,15-17H2,1-2H3,(H,26,34)(H,27,30)(H,28,31)/t22-/m0/s1	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 protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50032638 (CHEMBL3354205) Show SMILES COC(=O)CCC1CC(=O)c2cc(Cl)cc(Br)c2O1 Show InChI InChI=1S/C13H12BrClO4/c1-18-12(17)3-2-8-6-11(16)9-4-7(15)5-10(14)13(9)19-8/h4-5,8H,2-3,6H2,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged sirtuin-2 (unknown origin) using KI179 as substrate after 1 hr by fluorescence assay				J Med Chem 57: 9870-88 (2014) Article DOI: 10.1021/jm500930h BindingDB Entry DOI: 10.7270/Q2ST7RG2
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50500385 (CHEMBL3747673) Show SMILES CS(=O)(=O)c1ccc(-c2ccc(F)cc2)c(c1)C(=O)N1CCN(CC1)c1ccc(N)cc1F Show InChI InChI=1S/C24H23F2N3O3S/c1-33(31,32)19-7-8-20(16-2-4-17(25)5-3-16)21(15-19)24(30)29-12-10-28(11-13-29)23-9-6-18(27)14-22(23)26/h2-9,14-15H,10-13,27H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of GlyT1 (unknown origin) expressed in HEK293 cells by scintillation proximity assay				Eur J Med Chem 107: 119-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.050 BindingDB Entry DOI: 10.7270/Q22V2K4F
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50032646 (CHEMBL3354214) Show SMILES Cc1noc(CCC2CC(=O)c3cc(Cl)cc(Br)c3O2)n1 Show InChI InChI=1S/C14H12BrClN2O3/c1-7-17-13(21-18-7)3-2-9-6-12(19)10-4-8(16)5-11(15)14(10)20-9/h4-5,9H,2-3,6H2,1H3	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	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged sirtuin-2 (unknown origin) using KI179 as substrate after 1 hr by fluorescence assay				J Med Chem 57: 9870-88 (2014) Article DOI: 10.1021/jm500930h BindingDB Entry DOI: 10.7270/Q2ST7RG2
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50439467 (CHEMBL2417685) Show SMILES COc1ccc2[nH]cc(CCNC(=O)[C@H](CCCCNC(C)=S)NC(=O)OCc3ccccc3)c2c1 |r| Show InChI InChI=1S/C27H34N4O4S/c1-19(36)28-14-7-6-10-25(31-27(33)35-18-20-8-4-3-5-9-20)26(32)29-15-13-21-17-30-24-12-11-22(34-2)16-23(21)24/h3-5,8-9,11-12,16-17,25,30H,6-7,10,13-15,18H2,1-2H3,(H,28,36)(H,29,32)(H,31,33)/t25-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.58E+4	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
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50032647 (CHEMBL3354221) Show SMILES CC(=O)Nc1c(CCc2ccccc2)oc2c(Br)cc(Cl)cc2c1=O Show InChI InChI=1S/C19H15BrClNO3/c1-11(23)22-17-16(8-7-12-5-3-2-4-6-12)25-19-14(18(17)24)9-13(21)10-15(19)20/h2-6,9-10H,7-8H2,1H3,(H,22,23)	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	2.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged sirtuin-2 (unknown origin) using KI179 as substrate after 1 hr by fluorescence assay				J Med Chem 57: 9870-88 (2014) Article DOI: 10.1021/jm500930h BindingDB Entry DOI: 10.7270/Q2ST7RG2
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Homo sapiens (Human))	BDBM50439467 (CHEMBL2417685) Show SMILES COc1ccc2[nH]cc(CCNC(=O)[C@H](CCCCNC(C)=S)NC(=O)OCc3ccccc3)c2c1 |r| Show InChI InChI=1S/C27H34N4O4S/c1-19(36)28-14-7-6-10-25(31-27(33)35-18-20-8-4-3-5-9-20)26(32)29-15-13-21-17-30-24-12-11-22(34-2)16-23(21)24/h3-5,8-9,11-12,16-17,25,30H,6-7,10,13-15,18H2,1-2H3,(H,28,36)(H,29,32)(H,31,33)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.94E+4	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
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50500387 (CHEMBL3747718) Show SMILES CN(C)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C22H21N3O3S2/c1-25(2)30(27,28)20-14-12-19(13-15-20)23-22(29)24-21(26)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-15H,1-2H3,(H2,23,24,26,29)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	56	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Agonist activity at human GPR55 expressed in HEK293 cells assessed as calcium signalling by fura 2-based digital epifluorescence microscopy				Eur J Med Chem 107: 119-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.050 BindingDB Entry DOI: 10.7270/Q22V2K4F
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50500388 (CHEMBL4299513) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@@H](O)COP(O)(=O)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C29H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(31)39-20-22(30)21-40-42(37,38)41-29-27(35)25(33)24(32)26(34)28(29)36/h6-7,9-10,12-13,15-16,22,24-30,32-36H,2-5,8,11,14,17-21H2,1H3,(H,37,38)/b7-6-,10-9-,13-12-,16-15-/t22-,24-,25-,26+,27+,28+,29-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Agonist activity at human GPR55 expressed in HEK293 cells assessed as calcium signalling by fura 2-based digital epifluorescence microscopy				Eur J Med Chem 107: 119-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.050 BindingDB Entry DOI: 10.7270/Q22V2K4F
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50500389 (CHEMBL3745896) Show SMILES O=C(NCCc1ccccc1)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C29H25N3O2S/c33-27(30-20-19-21-7-3-1-4-8-21)24-15-17-26(18-16-24)31-29(35)32-28(34)25-13-11-23(12-14-25)22-9-5-2-6-10-22/h1-18H,19-20H2,(H,30,33)(H2,31,32,34,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Agonist activity at human GPR55 expressed in HEK293 cells assessed as calcium signalling by fura 2-based digital epifluorescence microscopy				Eur J Med Chem 107: 119-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.050 BindingDB Entry DOI: 10.7270/Q22V2K4F
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50500390 (CHEMBL3746958) Show SMILES O=C(NCc1ccccc1)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C28H23N3O2S/c32-26(29-19-20-7-3-1-4-8-20)23-15-17-25(18-16-23)30-28(34)31-27(33)24-13-11-22(12-14-24)21-9-5-2-6-10-21/h1-18H,19H2,(H,29,32)(H2,30,31,33,34)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Agonist activity at human GPR55 expressed in HEK293 cells assessed as calcium signalling by fura 2-based digital epifluorescence microscopy				Eur J Med Chem 107: 119-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.050 BindingDB Entry DOI: 10.7270/Q22V2K4F
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50500391 (CHEMBL3747626) Show SMILES Cc1ccc(CNS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(cc3)-c3ccccc3)cc2)cc1 Show InChI InChI=1S/C28H25N3O3S2/c1-20-7-9-21(10-8-20)19-29-36(33,34)26-17-15-25(16-18-26)30-28(35)31-27(32)24-13-11-23(12-14-24)22-5-3-2-4-6-22/h2-18,29H,19H2,1H3,(H2,30,31,32,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Agonist activity at human GPR55 expressed in HEK293 cells assessed as calcium signalling by fura 2-based digital epifluorescence microscopy				Eur J Med Chem 107: 119-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.050 BindingDB Entry DOI: 10.7270/Q22V2K4F
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50500392 (CHEMBL3745774) Show SMILES O=C(NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C26H21N3O3S2/c30-25(21-13-11-20(12-14-21)19-7-3-1-4-8-19)28-26(33)27-22-15-17-24(18-16-22)34(31,32)29-23-9-5-2-6-10-23/h1-18,29H,(H2,27,28,30,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.20	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Agonist activity at human GPR55 expressed in HEK293 cells assessed as calcium signalling by fura 2-based digital epifluorescence microscopy				Eur J Med Chem 107: 119-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.050 BindingDB Entry DOI: 10.7270/Q22V2K4F
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50500385 (CHEMBL3747673) Show SMILES CS(=O)(=O)c1ccc(-c2ccc(F)cc2)c(c1)C(=O)N1CCN(CC1)c1ccc(N)cc1F Show InChI InChI=1S/C24H23F2N3O3S/c1-33(31,32)19-7-8-20(16-2-4-17(25)5-3-16)21(15-19)24(30)29-12-10-28(11-13-29)23-9-6-18(27)14-22(23)26/h2-9,14-15H,10-13,27H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	158	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Agonist activity at human GPR55 expressed in Saccharomyces cerevisiae by beta-galactosidase reporter assay				Eur J Med Chem 107: 119-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.050 BindingDB Entry DOI: 10.7270/Q22V2K4F
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50500393 (CHEMBL3746607) Show SMILES Fc1ccc(CNS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(cc3)-c3ccccc3)cc2)cc1 Show InChI InChI=1S/C27H22FN3O3S2/c28-23-12-6-19(7-13-23)18-29-36(33,34)25-16-14-24(15-17-25)30-27(35)31-26(32)22-10-8-21(9-11-22)20-4-2-1-3-5-20/h1-17,29H,18H2,(H2,30,31,32,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Agonist activity at human GPR55 expressed in HEK293 cells assessed as calcium signalling by fura 2-based digital epifluorescence microscopy				Eur J Med Chem 107: 119-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.050 BindingDB Entry DOI: 10.7270/Q22V2K4F
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50500394 (CHEMBL3747421) Show SMILES CCCNS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C23H23N3O3S2/c1-2-16-24-31(28,29)21-14-12-20(13-15-21)25-23(30)26-22(27)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-15,24H,2,16H2,1H3,(H2,25,26,27,30)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	176	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Agonist activity at human GPR55 expressed in HEK293 cells assessed as calcium signalling by fura 2-based digital epifluorescence microscopy				Eur J Med Chem 107: 119-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.050 BindingDB Entry DOI: 10.7270/Q22V2K4F
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50500395 (CHEMBL3745918) Show SMILES O=C(NC(=S)Nc1ccc(cc1)S(=O)(=O)NCCc1ccccc1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C28H25N3O3S2/c32-27(24-13-11-23(12-14-24)22-9-5-2-6-10-22)31-28(35)30-25-15-17-26(18-16-25)36(33,34)29-20-19-21-7-3-1-4-8-21/h1-18,29H,19-20H2,(H2,30,31,32,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	39	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Agonist activity at human GPR55 expressed in HEK293 cells assessed as calcium signalling by fura 2-based digital epifluorescence microscopy				Eur J Med Chem 107: 119-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.050 BindingDB Entry DOI: 10.7270/Q22V2K4F
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50500396 (CHEMBL3746874) Show SMILES C=CCNS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C23H21N3O3S2/c1-2-16-24-31(28,29)21-14-12-20(13-15-21)25-23(30)26-22(27)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h2-15,24H,1,16H2,(H2,25,26,27,30)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Agonist activity at human GPR55 expressed in HEK293 cells assessed as calcium signalling by fura 2-based digital epifluorescence microscopy				Eur J Med Chem 107: 119-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.050 BindingDB Entry DOI: 10.7270/Q22V2K4F
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50500397 (CHEMBL3746316) Show SMILES O=C(NC(=S)Nc1ccc(cc1)S(=O)(=O)NCc1ccccc1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C27H23N3O3S2/c31-26(23-13-11-22(12-14-23)21-9-5-2-6-10-21)30-27(34)29-24-15-17-25(18-16-24)35(32,33)28-19-20-7-3-1-4-8-20/h1-18,28H,19H2,(H2,29,30,31,34)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.60	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Agonist activity at human GPR55 expressed in HEK293 cells assessed as calcium signalling by fura 2-based digital epifluorescence microscopy				Eur J Med Chem 107: 119-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.050 BindingDB Entry DOI: 10.7270/Q22V2K4F
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50500386 (CHEMBL3746764) Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C25H26N4O3S2/c1-28-15-17-29(18-16-28)34(31,32)23-13-11-22(12-14-23)26-25(33)27-24(30)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-14H,15-18H2,1H3,(H2,26,27,30,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	218	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Agonist activity at human GPR55 expressed in HEK293 cells assessed as calcium signalling by fura 2-based digital epifluorescence microscopy				Eur J Med Chem 107: 119-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.050 BindingDB Entry DOI: 10.7270/Q22V2K4F
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50500383 (CHEMBL3746420) Show SMILES COC(C)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2-c2ccc(F)cc2)S(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C27H28F2N2O4S/c1-18(35-2)20-6-11-26(25(29)16-20)30-12-14-31(15-13-30)27(32)24-17-22(36(3,33)34)9-10-23(24)19-4-7-21(28)8-5-19/h4-11,16-18H,12-15H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	316	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Agonist activity at human GPR55 expressed in Saccharomyces cerevisiae by beta-galactosidase reporter assay				Eur J Med Chem 107: 119-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.050 BindingDB Entry DOI: 10.7270/Q22V2K4F
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50500384 (CHEMBL3746228) Show SMILES O=C(NC(=S)Nc1ccc(cc1)S(=O)(=O)NCc1ccco1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C25H21N3O4S2/c29-24(20-10-8-19(9-11-20)18-5-2-1-3-6-18)28-25(33)27-21-12-14-23(15-13-21)34(30,31)26-17-22-7-4-16-32-22/h1-16,26H,17H2,(H2,27,28,29,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Agonist activity at human GPR55 expressed in HEK293 cells assessed as calcium signalling by fura 2-based digital epifluorescence microscopy				Eur J Med Chem 107: 119-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.050 BindingDB Entry DOI: 10.7270/Q22V2K4F
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50500382 (CHEMBL3747608) Show SMILES COc1ccc(CNS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(cc3)-c3ccccc3)cc2)cc1 Show InChI InChI=1S/C28H25N3O4S2/c1-35-25-15-7-20(8-16-25)19-29-37(33,34)26-17-13-24(14-18-26)30-28(36)31-27(32)23-11-9-22(10-12-23)21-5-3-2-4-6-21/h2-18,29H,19H2,1H3,(H2,30,31,32,36)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.70	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Agonist activity at human GPR55 expressed in HEK293 cells assessed as calcium signalling by fura 2-based digital epifluorescence microscopy				Eur J Med Chem 107: 119-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.050 BindingDB Entry DOI: 10.7270/Q22V2K4F
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50500398 (CHEMBL3747083) Show SMILES CC(C)CNS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C24H25N3O3S2/c1-17(2)16-25-32(29,30)22-14-12-21(13-15-22)26-24(31)27-23(28)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-15,17,25H,16H2,1-2H3,(H2,26,27,28,31)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	31	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Agonist activity at human GPR55 expressed in HEK293 cells assessed as calcium signalling by fura 2-based digital epifluorescence microscopy				Eur J Med Chem 107: 119-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.050 BindingDB Entry DOI: 10.7270/Q22V2K4F
					More data for this Ligand-Target Pair