Compile Data Set for Download or QSAR

Found 27 hits with Last Name = 'tringali' and Initial = 'c'   

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
Sialidase-2 (Homo sapiens (Human))	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PF-IMSS-KEK-SBRC, Ibaraki 305-0801, Japan. Curated by ChEMBL					Assay Description Inhibition of human neuraminidase 2				J Med Chem 53: 2998-3002 (2010) Article DOI: 10.1021/jm100078r BindingDB Entry DOI: 10.7270/Q2N58NBM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sialidase-2 (Homo sapiens (Human))	BDBM4706 ((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7| Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PF-IMSS-KEK-SBRC, Ibaraki 305-0801, Japan. Curated by ChEMBL					Assay Description Inhibition of human neuraminidase 2				J Med Chem 53: 2998-3002 (2010) Article DOI: 10.1021/jm100078r BindingDB Entry DOI: 10.7270/Q2N58NBM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sialidase-2 (Homo sapiens (Human))	BDBM5024 ((-)-(1S,2S,3R,4R)-3-[(1S)-1-(Acetylamino)-2-ethylb...) Show SMILES [H][C@](NC(C)=O)(C(CC)CC)[C@@H]1[C@H](O)[C@H](C[C@H]1N=C(N)N)C(O)=O |r| Show InChI InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PF-IMSS-KEK-SBRC, Ibaraki 305-0801, Japan. Curated by ChEMBL					Assay Description Inhibition of human neuraminidase 2				J Med Chem 53: 2998-3002 (2010) Article DOI: 10.1021/jm100078r BindingDB Entry DOI: 10.7270/Q2N58NBM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sialidase-2 (Homo sapiens (Human))	BDBM50314987 ((2S,3R,4R)-3-acetamido-4-hydroxy-2-(3-hydroxypropo...) Show SMILES CC(=O)N[C@@H]1[C@H](O)C=C(O[C@@H]1OCCCO)C(O)=O |r,c:7| Show InChI InChI=1S/C11H17NO7/c1-6(14)12-9-7(15)5-8(10(16)17)19-11(9)18-4-2-3-13/h5,7,9,11,13,15H,2-4H2,1H3,(H,12,14)(H,16,17)/t7-,9-,11+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PF-IMSS-KEK-SBRC, Ibaraki 305-0801, Japan. Curated by ChEMBL					Assay Description Inhibition of human neuraminidase 2				J Med Chem 53: 2998-3002 (2010) Article DOI: 10.1021/jm100078r BindingDB Entry DOI: 10.7270/Q2N58NBM
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM50314988 ((2S,3R,4R)-3-acetamido-4-hydroxy-2-isobutoxy-3,4-d...) Show SMILES CC(C)CO[C@H]1OC(=C[C@@H](O)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C12H19NO6/c1-6(2)5-18-12-10(13-7(3)14)8(15)4-9(19-12)11(16)17/h4,6,8,10,12,15H,5H2,1-3H3,(H,13,14)(H,16,17)/t8-,10-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PF-IMSS-KEK-SBRC, Ibaraki 305-0801, Japan. Curated by ChEMBL					Assay Description Inhibition of human neuraminidase 2				J Med Chem 53: 2998-3002 (2010) Article DOI: 10.1021/jm100078r BindingDB Entry DOI: 10.7270/Q2N58NBM
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM50314986 ((2S,3R,4R)-3-acetamido-2-(2,3-dihydroxypropoxy)-4-...) Show SMILES CC(=O)N[C@@H]1[C@H](O)C=C(O[C@@H]1OCC(O)CO)C(O)=O |r,c:7| Show InChI InChI=1S/C11H17NO8/c1-5(14)12-9-7(16)2-8(10(17)18)20-11(9)19-4-6(15)3-13/h2,6-7,9,11,13,15-16H,3-4H2,1H3,(H,12,14)(H,17,18)/t6?,7-,9-,11+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PF-IMSS-KEK-SBRC, Ibaraki 305-0801, Japan. Curated by ChEMBL					Assay Description Inhibition of human neuraminidase 2				J Med Chem 53: 2998-3002 (2010) Article DOI: 10.1021/jm100078r BindingDB Entry DOI: 10.7270/Q2N58NBM
					More data for this Ligand-Target Pair
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139 (Homo sapiens (Human))	BDBM50483783 (CHEMBL1770433) Show SMILES CC(C)CC(=O)OC[C@H]1O[C@@H](OC(CO)CO)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H26O9/c1-7(2)3-10(17)21-6-9-11(18)12(19)13(20)14(23-9)22-8(4-15)5-16/h7-9,11-16,18-20H,3-6H2,1-2H3/t9-,11+,12+,13-,14-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description Inhibition of PKC activation in PMA-treated human fibroblasts assessed as inhibition of translocation to plasma membrane cells pretreated for 1 hr fo...				Eur J Med Chem 46: 1827-34 (2011) Article DOI: 10.1016/j.ejmech.2011.02.043 BindingDB Entry DOI: 10.7270/Q261135P
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50140689 (CHEMBL3752809) Show SMILES Oc1cc(\C=C\C(=O)OCCc2ccccc2)cc2[C@H]([C@@H](Oc12)c1ccc(O)c(O)c1)C(=O)OCCc1ccccc1 |r| Show InChI InChI=1S/C34H30O8/c35-27-13-12-25(21-28(27)36)32-31(34(39)41-18-16-23-9-5-2-6-10-23)26-19-24(20-29(37)33(26)42-32)11-14-30(38)40-17-15-22-7-3-1-4-8-22/h1-14,19-21,31-32,35-37H,15-18H2/b14-11+/t31-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Inhibition of PGES-1 in IL-1beta stimulated human A549 cell microsomes using PGH2 as substrate assessed as suppression of PGE2 formation preincubated...				Bioorg Med Chem 24: 820-6 (2016) Article DOI: 10.1016/j.bmc.2016.01.002 BindingDB Entry DOI: 10.7270/Q2JH3P1M
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50140689 (CHEMBL3752809) Show SMILES Oc1cc(\C=C\C(=O)OCCc2ccccc2)cc2[C@H]([C@@H](Oc12)c1ccc(O)c(O)c1)C(=O)OCCc1ccccc1 |r| Show InChI InChI=1S/C34H30O8/c35-27-13-12-25(21-28(27)36)32-31(34(39)41-18-16-23-9-5-2-6-10-23)26-19-24(20-29(37)33(26)42-32)11-14-30(38)40-17-15-22-7-3-1-4-8-22/h1-14,19-21,31-32,35-37H,15-18H2/b14-11+/t31-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Inhibition of PGES-1 in IL-1beta stimulated human A549 cell microsomes using PGH2 as substrate assessed as suppression of PGE2 formation preincubated...				Bioorg Med Chem 24: 820-6 (2016) Article DOI: 10.1016/j.bmc.2016.01.002 BindingDB Entry DOI: 10.7270/Q2JH3P1M
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50140688 (CHEMBL3754377) Show SMILES CCCCOC(=O)\C=C\c1cc2[C@H]([C@@H](Oc2c(O)c1)c1ccc(O)c(O)c1)C(=O)OCCCC |r| Show InChI InChI=1S/C26H30O8/c1-3-5-11-32-22(30)10-7-16-13-18-23(26(31)33-12-6-4-2)24(34-25(18)21(29)14-16)17-8-9-19(27)20(28)15-17/h7-10,13-15,23-24,27-29H,3-6,11-12H2,1-2H3/b10-7+/t23-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Inhibition of PGES-1 in IL-1beta stimulated human A549 cell microsomes using PGH2 as substrate assessed as suppression of PGE2 formation preincubated...				Bioorg Med Chem 24: 820-6 (2016) Article DOI: 10.1016/j.bmc.2016.01.002 BindingDB Entry DOI: 10.7270/Q2JH3P1M
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50006805 (3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...) Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)	PDB MMDB 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	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Inhibition of PGES-1 in IL-1beta stimulated human A549 cell microsomes using PGH2 as substrate assessed as suppression of PGE2 formation preincubated...				Bioorg Med Chem 24: 820-6 (2016) Article DOI: 10.1016/j.bmc.2016.01.002 BindingDB Entry DOI: 10.7270/Q2JH3P1M
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50140690 (CHEMBL3752963) Show SMILES Oc1cc(\C=C\C(=O)OCCc2ccccc2)cc2[C@@H]([C@H](Oc12)c1ccc(O)c(O)c1)C(=O)OCCc1ccccc1 |r| Show InChI InChI=1S/C34H30O8/c35-27-13-12-25(21-28(27)36)32-31(34(39)41-18-16-23-9-5-2-6-10-23)26-19-24(20-29(37)33(26)42-32)11-14-30(38)40-17-15-22-7-3-1-4-8-22/h1-14,19-21,31-32,35-37H,15-18H2/b14-11+/t31-,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Inhibition of PGES-1 in IL-1beta stimulated human A549 cell microsomes using PGH2 as substrate assessed as suppression of PGE2 formation preincubated...				Bioorg Med Chem 24: 820-6 (2016) Article DOI: 10.1016/j.bmc.2016.01.002 BindingDB Entry DOI: 10.7270/Q2JH3P1M
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50140687 (CHEMBL3752388) Show SMILES CCOC(=O)\C=C\c1cc2[C@H]([C@@H](Oc2c(O)c1)c1ccc(O)c(O)c1)C(=O)OCC |r| Show InChI InChI=1S/C22H22O8/c1-3-28-18(26)8-5-12-9-14-19(22(27)29-4-2)20(30-21(14)17(25)10-12)13-6-7-15(23)16(24)11-13/h5-11,19-20,23-25H,3-4H2,1-2H3/b8-5+/t19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Inhibition of PGES-1 in IL-1beta stimulated human A549 cell microsomes using PGH2 as substrate assessed as suppression of PGE2 formation preincubated...				Bioorg Med Chem 24: 820-6 (2016) Article DOI: 10.1016/j.bmc.2016.01.002 BindingDB Entry DOI: 10.7270/Q2JH3P1M
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50140686 (CHEMBL538661) Show SMILES COC(=O)\C=C\c1cc2[C@H]([C@@H](Oc2c(O)c1)c1ccc(O)c(O)c1)C(=O)OC |r| Show InChI InChI=1S/C20H18O8/c1-26-16(24)6-3-10-7-12-17(20(25)27-2)18(28-19(12)15(23)8-10)11-4-5-13(21)14(22)9-11/h3-9,17-18,21-23H,1-2H3/b6-3+/t17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Inhibition of PGES-1 in IL-1beta stimulated human A549 cell microsomes using PGH2 as substrate assessed as suppression of PGE2 formation preincubated...				Bioorg Med Chem 24: 820-6 (2016) Article DOI: 10.1016/j.bmc.2016.01.002 BindingDB Entry DOI: 10.7270/Q2JH3P1M
					More data for this Ligand-Target Pair
Beta-galactosidase (Aspergillus oryzae)	BDBM50499768 (CHEMBL3740658) Show SMILES COc1cc(OC)c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(\C=C\c2ccc(OC)c(OC)c2)c1 |r| Show InChI InChI=1S/C24H30O10/c1-29-15-10-14(7-5-13-6-8-16(30-2)17(9-13)31-3)23(18(11-15)32-4)34-24-22(28)21(27)20(26)19(12-25)33-24/h5-11,19-22,24-28H,12H2,1-4H3/b7-5+/t19-,20-,21+,22-,24-/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.58E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Catania Curated by ChEMBL					Assay Description Inhibition of Aspergillus oryzae beta-galactosidase using oNP-beta-Gal as substrate assessed as release of o-nitrophenol incubated for 30 mins by spe...				J Nat Prod 78: 2675-83 (2015) Article DOI: 10.1021/acs.jnatprod.5b00619 BindingDB Entry DOI: 10.7270/Q2NZ8BNV
					More data for this Ligand-Target Pair
Beta-galactosidase (Aspergillus oryzae)	BDBM50499767 (CHEMBL3741440) Show SMILES COc1cc(OC)cc(\C=C\c2cc(OC)cc(OC)c2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C24H30O10/c1-29-15-7-13(8-16(10-15)30-2)5-6-14-9-17(31-3)11-18(32-4)23(14)34-24-22(28)21(27)20(26)19(12-25)33-24/h5-11,19-22,24-28H,12H2,1-4H3/b6-5+/t19-,20+,21+,22-,24-/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.96E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Catania Curated by ChEMBL					Assay Description Inhibition of Aspergillus oryzae beta-galactosidase using oNP-beta-Gal as substrate assessed as release of o-nitrophenol incubated for 30 mins by spe...				J Nat Prod 78: 2675-83 (2015) Article DOI: 10.1021/acs.jnatprod.5b00619 BindingDB Entry DOI: 10.7270/Q2NZ8BNV
					More data for this Ligand-Target Pair
Beta-galactosidase (Aspergillus oryzae)	BDBM50499771 (CHEMBL3740283) Show SMILES COc1cc(OC)cc(\C=C\c2cc(OC)cc(OC)c2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C24H30O10/c1-29-15-7-13(8-16(10-15)30-2)5-6-14-9-17(31-3)11-18(32-4)23(14)34-24-22(28)21(27)20(26)19(12-25)33-24/h5-11,19-22,24-28H,12H2,1-4H3/b6-5+/t19-,20-,21+,22-,24-/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.97E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Catania Curated by ChEMBL					Assay Description Inhibition of Aspergillus oryzae beta-galactosidase using oNP-beta-Gal as substrate assessed as release of o-nitrophenol incubated for 30 mins by spe...				J Nat Prod 78: 2675-83 (2015) Article DOI: 10.1021/acs.jnatprod.5b00619 BindingDB Entry DOI: 10.7270/Q2NZ8BNV
					More data for this Ligand-Target Pair
Beta-galactosidase (Aspergillus oryzae)	BDBM50499769 (CHEMBL3739825) Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C23H28O9/c1-28-15-8-5-13(6-9-15)4-7-14-10-16(29-2)11-17(30-3)22(14)32-23-21(27)20(26)19(25)18(12-24)31-23/h4-11,18-21,23-27H,12H2,1-3H3/b7-4+/t18-,19+,20+,21-,23-/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.98E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Catania Curated by ChEMBL					Assay Description Inhibition of Aspergillus oryzae beta-galactosidase using oNP-beta-Gal as substrate assessed as release of o-nitrophenol incubated for 30 mins by spe...				J Nat Prod 78: 2675-83 (2015) Article DOI: 10.1021/acs.jnatprod.5b00619 BindingDB Entry DOI: 10.7270/Q2NZ8BNV
					More data for this Ligand-Target Pair
Beta-galactosidase (Aspergillus oryzae)	BDBM50499770 (CHEMBL3742045) Show SMILES COc1cc(OC)c(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(\C=C\c2ccc(OC)c(OC)c2)c1 |r| Show InChI InChI=1S/C24H30O10/c1-29-15-10-14(7-5-13-6-8-16(30-2)17(9-13)31-3)23(18(11-15)32-4)34-24-22(28)21(27)20(26)19(12-25)33-24/h5-11,19-22,24-28H,12H2,1-4H3/b7-5+/t19-,20+,21+,22-,24-/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.99E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Catania Curated by ChEMBL					Assay Description Inhibition of Aspergillus oryzae beta-galactosidase using oNP-beta-Gal as substrate assessed as release of o-nitrophenol incubated for 30 mins by spe...				J Nat Prod 78: 2675-83 (2015) Article DOI: 10.1021/acs.jnatprod.5b00619 BindingDB Entry DOI: 10.7270/Q2NZ8BNV
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50462626 (CHEMBL4127893) Show SMILES Oc1cc(CC=C)cc(c1O)-c1cc(CC=C)ccc1O Show InChI InChI=1S/C18H18O3/c1-3-5-12-7-8-16(19)14(9-12)15-10-13(6-4-2)11-17(20)18(15)21/h3-4,7-11,19-21H,1-2,5-6H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Binding affinity to recombinant human PARP1 expressed in baculovirus infected Sf9 cells by surface plasmon resonance analysis				Bioorg Med Chem 26: 3953-3957 (2018) Article DOI: 10.1016/j.bmc.2018.06.019 BindingDB Entry DOI: 10.7270/Q2KH0R05
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50462629 (CHEMBL3594248) Show SMILES COc1cc(CCCO)cc(c1O)-c1cc(CCCO)cc(OC)c1O Show InChI InChI=1S/C20H26O6/c1-25-17-11-13(5-3-7-21)9-15(19(17)23)16-10-14(6-4-8-22)12-18(26-2)20(16)24/h9-12,21-24H,3-8H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal His-tagged TNKS2 (Ser959 to Gly1166 residues) expressed in Escherichia coli by surface plasmon reson...				Bioorg Med Chem 26: 3953-3957 (2018) Article DOI: 10.1016/j.bmc.2018.06.019 BindingDB Entry DOI: 10.7270/Q2KH0R05
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50188594 (CHEBI:62878 | CHEMBL1086580) Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal His-tagged TNKS2 (Ser959 to Gly1166 residues) expressed in Escherichia coli by surface plasmon reson...				Bioorg Med Chem 26: 3953-3957 (2018) Article DOI: 10.1016/j.bmc.2018.06.019 BindingDB Entry DOI: 10.7270/Q2KH0R05
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase II subunit alpha/beta (Homo sapiens (Human)-Rattus norvegicus)	BDBM11323 (4,5,6,7-tetrabromo-1H-1,2,3-benzotriazole | 4,5,6,...) Show SMILES Brc1c(Br)c(Br)c2[nH]nnc2c1Br Show InChI InChI=1S/C6HBr4N3/c7-1-2(8)4(10)6-5(3(1)9)11-13-12-6/h(H,11,12,13)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Binding affinity to recombinant human CK2alpha/beta expressed in Escherichia coli by surface plasmon resonance analysis				Bioorg Med Chem 26: 3953-3957 (2018) Article DOI: 10.1016/j.bmc.2018.06.019 BindingDB Entry DOI: 10.7270/Q2KH0R05
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50462627 (CHEMBL1958308) Show SMILES COc1cc(CC=C)cc(c1O)-c1cc(CC=C)cc(O)c1O Show InChI InChI=1S/C19H20O4/c1-4-6-12-8-14(18(21)16(20)10-12)15-9-13(7-5-2)11-17(23-3)19(15)22/h4-5,8-11,20-22H,1-2,6-7H2,3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal GSt-tagged TNKS1 (1000 to 1328 residues) expressed in baculovirus infected Sf9 cells by surface plas...				Bioorg Med Chem 26: 3953-3957 (2018) Article DOI: 10.1016/j.bmc.2018.06.019 BindingDB Entry DOI: 10.7270/Q2KH0R05
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50462627 (CHEMBL1958308) Show SMILES COc1cc(CC=C)cc(c1O)-c1cc(CC=C)cc(O)c1O Show InChI InChI=1S/C19H20O4/c1-4-6-12-8-14(18(21)16(20)10-12)15-9-13(7-5-2)11-17(23-3)19(15)22/h4-5,8-11,20-22H,1-2,6-7H2,3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal His-tagged TNKS2 (Ser959 to Gly1166 residues) expressed in Escherichia coli by surface plasmon reson...				Bioorg Med Chem 26: 3953-3957 (2018) Article DOI: 10.1016/j.bmc.2018.06.019 BindingDB Entry DOI: 10.7270/Q2KH0R05
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50462626 (CHEMBL4127893) Show SMILES Oc1cc(CC=C)cc(c1O)-c1cc(CC=C)ccc1O Show InChI InChI=1S/C18H18O3/c1-3-5-12-7-8-16(19)14(9-12)15-10-13(6-4-2)11-17(20)18(15)21/h3-4,7-11,19-21H,1-2,5-6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.26E+3	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal GSt-tagged TNKS1 (1000 to 1328 residues) expressed in baculovirus infected Sf9 cells by surface plas...				Bioorg Med Chem 26: 3953-3957 (2018) Article DOI: 10.1016/j.bmc.2018.06.019 BindingDB Entry DOI: 10.7270/Q2KH0R05
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50462628 (CHEMBL4239155) Show SMILES COc1cc(CCCOC(C)=O)cc(c1O)-c1cc(CCCOC(C)=O)cc(OC)c1O Show InChI InChI=1S/C24H30O8/c1-15(25)31-9-5-7-17-11-19(23(27)21(13-17)29-3)20-12-18(8-6-10-32-16(2)26)14-22(30-4)24(20)28/h11-14,27-28H,5-10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal His-tagged TNKS2 (Ser959 to Gly1166 residues) expressed in Escherichia coli by surface plasmon reson...				Bioorg Med Chem 26: 3953-3957 (2018) Article DOI: 10.1016/j.bmc.2018.06.019 BindingDB Entry DOI: 10.7270/Q2KH0R05
					More data for this Ligand-Target Pair