Compile Data Set for Download or QSAR

Found 101 hits with Last Name = 'de tommasi' and Initial = 'n'   

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
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Salerno Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase (unknown origin)-mediated formation of uric acid by spectrophotometry				J Nat Prod 65: 1526-9 (2002) BindingDB Entry DOI: 10.7270/Q2959H9S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50260202 (CHEMBL451090 | myricetin 7-O-alpha-L-rhamnopyranos...) Show SMILES C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(c3)oc(c(O)c4=O)-c3cc(O)c(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C27H30O17/c1-7-16(31)20(35)23(38)26(41-7)40-6-14-18(33)21(36)24(39)27(44-14)42-9-4-10(28)15-13(5-9)43-25(22(37)19(15)34)8-2-11(29)17(32)12(30)3-8/h2-5,7,14,16,18,20-21,23-24,26-33,35-39H,6H2,1H3/t7-,14+,16-,18+,20+,21-,23+,24+,26+,27+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Salerno Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase (unknown origin)-mediated formation of uric acid by spectrophotometry				J Nat Prod 65: 1526-9 (2002) BindingDB Entry DOI: 10.7270/Q2959H9S
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50260201 (CHEMBL503182 | myricetin 7-O-beta-D-glucopyranosyl...) Show SMILES OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(c3)oc(-c3cc(O)c(O)c(O)c3)c(O)c4=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C27H30O18/c28-5-13-17(33)20(36)23(39)26(44-13)41-6-14-18(34)21(37)24(40)27(45-14)42-8-3-9(29)15-12(4-8)43-25(22(38)19(15)35)7-1-10(30)16(32)11(31)2-7/h1-4,13-14,17-18,20-21,23-24,26-34,36-40H,5-6H2/t13-,14-,17-,18-,20+,21+,23-,24-,26-,27-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Salerno Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase (unknown origin)-mediated formation of uric acid by spectrophotometry				J Nat Prod 65: 1526-9 (2002) BindingDB Entry DOI: 10.7270/Q2959H9S
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50022445 (2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-(3,4,5-tr...) Show SMILES CC1OC(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C(O)C1O Show InChI InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-24,26-29H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università di Salerno Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase (unknown origin)-mediated formation of uric acid by spectrophotometry				J Nat Prod 65: 1526-9 (2002) BindingDB Entry DOI: 10.7270/Q2959H9S
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM50428820 (CHEMBL2335722) Show SMILES O[C@H]1Cc2c(O)cc(O)c([C@@H]3C[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)cc3)c2O[C@@H]1c1ccc(O)cc1 |r| Show InChI InChI=1S/C30H26O9/c31-16-5-1-14(2-6-16)25-12-20(27-22(35)9-18(33)10-26(27)38-25)28-23(36)13-21(34)19-11-24(37)29(39-30(19)28)15-3-7-17(32)8-4-15/h1-10,13,20,24-25,29,31-37H,11-12H2/t20-,24+,25+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Salerno Curated by ChEMBL					Assay Description Inhibition of recombinant PlGF-1/VEGFR-1 (unknown origin) interaction after 1 hr by ELISA				J Nat Prod 76: 29-35 (2013) Article DOI: 10.1021/np300614u BindingDB Entry DOI: 10.7270/Q24F1S3K
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50187133 (3,4,5-Trihydroxy-benzoic acid methyl ester | CHEMB...) Show SMILES COC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università di Salerno Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase (unknown origin)-mediated formation of uric acid by spectrophotometry				J Nat Prod 65: 1526-9 (2002) BindingDB Entry DOI: 10.7270/Q2959H9S
					More data for this Ligand-Target Pair
Pancreatic alpha-amylase (Sus scrofa (Pig))	BDBM23406 ((3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5...) Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:37| Show InChI InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi della Basilicata Curated by ChEMBL					Assay Description Inhibition of hog pancreas alpha-amylase using starch as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by ...				J Nat Prod 79: 2104-12 (2016) Article DOI: 10.1021/acs.jnatprod.6b00484 BindingDB Entry DOI: 10.7270/Q2QN68R4
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50242283 (3,4-dihydroxymethylbenzoate | CHEMBL486027 | Methy...) Show SMILES COC(=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C8H8O4/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,9-10H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università di Salerno Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase (unknown origin)-mediated formation of uric acid by spectrophotometry				J Nat Prod 65: 1526-9 (2002) BindingDB Entry DOI: 10.7270/Q2959H9S
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50240383 ((E)-3-(3,4-Dihydroxy-phenyl)-propenal | CHEMBL1729...) Show SMILES Oc1ccc(\C=C\C=O)cc1O Show InChI InChI=1S/C9H8O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-6,11-12H/b2-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università di Salerno Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase (unknown origin)-mediated formation of uric acid by spectrophotometry				J Nat Prod 65: 1526-9 (2002) BindingDB Entry DOI: 10.7270/Q2959H9S
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM50428820 (CHEMBL2335722) Show SMILES O[C@H]1Cc2c(O)cc(O)c([C@@H]3C[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)cc3)c2O[C@@H]1c1ccc(O)cc1 |r| Show InChI InChI=1S/C30H26O9/c31-16-5-1-14(2-6-16)25-12-20(27-22(35)9-18(33)10-26(27)38-25)28-23(36)13-21(34)19-11-24(37)29(39-30(19)28)15-3-7-17(32)8-4-15/h1-10,13,20,24-25,29,31-37H,11-12H2/t20-,24+,25+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Salerno Curated by ChEMBL					Assay Description Inhibition of recombinant VEGF-A/VEGFR-1 (unknown origin) interaction after 1 hr by ELISA				J Nat Prod 76: 29-35 (2013) Article DOI: 10.1021/np300614u BindingDB Entry DOI: 10.7270/Q24F1S3K
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50240367 (3-Hydroxy-4-methoxy-benzaldehyde | 3-hydroxy-4-met...) Show SMILES COc1ccc(C=O)cc1O Show InChI InChI=1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università di Salerno Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase (unknown origin)-mediated formation of uric acid by spectrophotometry				J Nat Prod 65: 1526-9 (2002) BindingDB Entry DOI: 10.7270/Q2959H9S
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50241354 (2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-(3,4,5-tr...) Show SMILES OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-25,27-30H,6H2/t13-,15-,17+,18-,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università di Salerno Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase (unknown origin)-mediated formation of uric acid by spectrophotometry				J Nat Prod 65: 1526-9 (2002) BindingDB Entry DOI: 10.7270/Q2959H9S
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50209100 (4-hydroxymethylbenzoate | CHEMBL325372 | Methyl pa...) Show SMILES COC(=O)c1ccc(O)cc1 Show InChI InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università di Salerno Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase (unknown origin)-mediated formation of uric acid by spectrophotometry				J Nat Prod 65: 1526-9 (2002) BindingDB Entry DOI: 10.7270/Q2959H9S
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM50428819 (GERANIN B) Show SMILES O[C@H]1Cc2c(O)cc3O[C@@]4(Oc5cc(O)cc(O)c5[C@@H]([C@H]4O)c3c2O[C@@H]1c1ccc(O)cc1)c1ccc(O)c(O)c1 |r,TLB:16:18:20:8.7.22,12:11:20:8.7.22| Show InChI InChI=1S/C30H24O11/c31-14-4-1-12(2-5-14)27-21(37)10-16-18(34)11-23-25(28(16)39-27)26-24-20(36)8-15(32)9-22(24)40-30(41-23,29(26)38)13-3-6-17(33)19(35)7-13/h1-9,11,21,26-27,29,31-38H,10H2/t21-,26+,27+,29+,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Salerno Curated by ChEMBL					Assay Description Inhibition of recombinant VEGF-A/VEGFR-1 (unknown origin) interaction after 1 hr by ELISA				J Nat Prod 76: 29-35 (2013) Article DOI: 10.1021/np300614u BindingDB Entry DOI: 10.7270/Q24F1S3K
					More data for this Ligand-Target Pair
Pancreatic alpha-amylase (Sus scrofa (Pig))	BDBM50202632 (CHEMBL460030) Show SMILES [H][C@]12[C@@H](O)C=C(COC(C)=O)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(O)=O |r,c:30,t:4| Show InChI InChI=1S/C18H24O12/c1-6(20)27-4-7-2-9(21)12-8(16(25)26)5-28-17(11(7)12)30-18-15(24)14(23)13(22)10(3-19)29-18/h2,5,9-15,17-19,21-24H,3-4H2,1H3,(H,25,26)/t9-,10+,11+,12-,13+,14-,15+,17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi della Basilicata Curated by ChEMBL					Assay Description Inhibition of hog pancreas alpha-amylase using starch as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by ...				J Nat Prod 79: 2104-12 (2016) Article DOI: 10.1021/acs.jnatprod.6b00484 BindingDB Entry DOI: 10.7270/Q2QN68R4
					More data for this Ligand-Target Pair
Pancreatic alpha-amylase (Sus scrofa (Pig))	BDBM23410 (2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H...) Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi della Basilicata Curated by ChEMBL					Assay Description Inhibition of hog pancreas alpha-amylase using starch as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by ...				J Nat Prod 79: 2104-12 (2016) Article DOI: 10.1021/acs.jnatprod.6b00484 BindingDB Entry DOI: 10.7270/Q2QN68R4
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50456573 (CHEMBL3581233) Show SMILES COc1cc(\C=C\C(=O)OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3OC(=O)\C=C\c3cc(OC)c(O)c(OC)c3)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O |r| Show InChI InChI=1S/C34H42O19/c1-45-18-9-16(10-19(46-2)26(18)39)5-7-24(37)49-14-23-28(41)30(43)31(44)33(50-23)53-34(15-36)32(29(42)22(13-35)52-34)51-25(38)8-6-17-11-20(47-3)27(40)21(12-17)48-4/h5-12,22-23,28-33,35-36,39-44H,13-15H2,1-4H3/b7-5+,8-6+/t22-,23-,28-,29-,30+,31-,32+,33-,34+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human liver LDH5 using pyruvate as substrate and NADH as cofactor measured after 15 mins by fluorescence assay				J Nat Prod 80: 2077-2087 (2017) Article DOI: 10.1021/acs.jnatprod.7b00295 BindingDB Entry DOI: 10.7270/Q22N54W0
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50456574 (CHEMBL4217921) Show SMILES OC1Oc2c(C=C1O)oc(=O)c1cc(O)c(O)c(O)c21 |c:5| Show InChI InChI=1S/C12H8O8/c13-4-1-3-7(9(16)8(4)15)10-6(19-11(3)17)2-5(14)12(18)20-10/h1-2,12-16,18H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.02E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human liver LDH5 using pyruvate as substrate and NADH as cofactor measured after 15 mins by fluorescence assay				J Nat Prod 80: 2077-2087 (2017) Article DOI: 10.1021/acs.jnatprod.7b00295 BindingDB Entry DOI: 10.7270/Q22N54W0
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50456576 (CHEMBL4210558) Show SMILES [H][C@@]1(O[C@H]2[C@H](O)[C@@H](COC(=O)\C=C\c3cc(OC)c(O)c(OC)c3)O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3OC(=O)\C=C\c3cc(OC)c(O)c(OC)c3)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C40H52O24/c1-54-19-9-17(10-20(55-2)28(19)46)5-7-26(44)58-15-25-31(49)36(62-38-34(52)33(51)30(48)23(13-41)59-38)35(53)39(60-25)64-40(16-43)37(32(50)24(14-42)63-40)61-27(45)8-6-18-11-21(56-3)29(47)22(12-18)57-4/h5-12,23-25,30-39,41-43,46-53H,13-16H2,1-4H3/b7-5+,8-6+/t23-,24-,25-,30-,31-,32-,33+,34-,35-,36+,37+,38+,39-,40+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.91E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human liver LDH5 using pyruvate as substrate and NADH as cofactor measured after 15 mins by fluorescence assay				J Nat Prod 80: 2077-2087 (2017) Article DOI: 10.1021/acs.jnatprod.7b00295 BindingDB Entry DOI: 10.7270/Q22N54W0
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50456579 (CHEMBL4217513) Show SMILES [H][C@@]1(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)O[C@H]2Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)OC[C@](O)(COC(=O)\C=C\c2cc(OC)c(O)c(OC)c2)[C@H]1O |r| Show InChI InChI=1S/C43H48O24/c1-16-29(49)33(53)35(55)40(63-16)60-13-26-31(51)34(54)38(67-42-39(56)43(57,15-62-42)14-61-27(48)7-4-17-8-24(58-2)30(50)25(9-17)59-3)41(65-26)66-37-32(52)28-22(47)11-19(44)12-23(28)64-36(37)18-5-6-20(45)21(46)10-18/h4-12,16,26,29,31,33-35,38-42,44-47,49-51,53-57H,13-15H2,1-3H3/b7-4+/t16-,26+,29-,31+,33+,34-,35+,38+,39-,40+,41-,42-,43+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human liver LDH5 using pyruvate as substrate and NADH as cofactor measured after 15 mins by fluorescence assay				J Nat Prod 80: 2077-2087 (2017) Article DOI: 10.1021/acs.jnatprod.7b00295 BindingDB Entry DOI: 10.7270/Q22N54W0
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50456580 (CHEMBL4212672) Show SMILES [H][C@@]1(O[C@H]2[C@H](O)[C@@H](COC(C)=O)O[C@H](O[C@]3(CO)O[C@H](COC(=O)c4ccccc4)[C@@H](O)[C@@H]3O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C27H38O18/c1-11(30)39-8-14-17(32)22(43-25-20(35)19(34)16(31)13(7-28)41-25)21(36)26(42-14)45-27(10-29)23(37)18(33)15(44-27)9-40-24(38)12-5-3-2-4-6-12/h2-6,13-23,25-26,28-29,31-37H,7-10H2,1H3/t13-,14-,15-,16-,17-,18-,19+,20-,21-,22+,23+,25+,26-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human liver LDH5 using pyruvate as substrate and NADH as cofactor measured after 15 mins by fluorescence assay				J Nat Prod 80: 2077-2087 (2017) Article DOI: 10.1021/acs.jnatprod.7b00295 BindingDB Entry DOI: 10.7270/Q22N54W0
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50217942 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chr...) Show SMILES C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-30,32-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human liver LDH5 using pyruvate as substrate and NADH as cofactor measured after 15 mins by fluorescence assay				J Nat Prod 80: 2077-2087 (2017) Article DOI: 10.1021/acs.jnatprod.7b00295 BindingDB Entry DOI: 10.7270/Q22N54W0
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50456581 (CHEMBL4214983) Show SMILES [H][C@@]1(O[C@H]2[C@@H](OC(C)=O)[C@H](C)O[C@@H](OC(=O)[C@]34CCC(C)(C)C[C@@]3([H])C3=CC[C@]5([H])[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(C(O)=O)[C@]6([H])CC[C@@]5(C)[C@]3(C)CC4)[C@@H]2O[C@]2([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)OC[C@](O)(CO)[C@H]1O |r,t:26| Show InChI InChI=1S/C55H86O24/c1-23-32(60)34(62)36(64)43(72-23)77-40-39(76-46-41(66)55(70,21-57)22-71-46)38(74-25(3)58)24(2)73-45(40)79-48(69)54-16-14-49(4,5)18-27(54)26-10-11-30-50(6)19-28(59)42(78-44-37(65)35(63)33(61)29(20-56)75-44)53(9,47(67)68)31(50)12-13-52(30,8)51(26,7)15-17-54/h10,23-24,27-46,56-57,59-66,70H,11-22H2,1-9H3,(H,67,68)/t23-,24-,27-,28-,29+,30+,31+,32-,33+,34+,35-,36+,37+,38-,39-,40+,41-,42-,43-,44-,45-,46-,50+,51+,52+,53-,54-,55+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human liver LDH5 using pyruvate as substrate and NADH as cofactor measured after 15 mins by fluorescence assay				J Nat Prod 80: 2077-2087 (2017) Article DOI: 10.1021/acs.jnatprod.7b00295 BindingDB Entry DOI: 10.7270/Q22N54W0
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50456578 (CHEMBL4213100) Show SMILES [H][C@@]1(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)O[C@H]2Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)OC[C@](O)(COC(=O)\C=C\c2ccc(O)cc2)[C@H]1O |r| Show InChI InChI=1S/C41H44O22/c1-16-28(48)31(51)33(53)38(59-16)56-13-25-29(49)32(52)36(63-40-37(54)41(55,15-58-40)14-57-26(47)9-4-17-2-6-19(42)7-3-17)39(61-25)62-35-30(50)27-23(46)11-20(43)12-24(27)60-34(35)18-5-8-21(44)22(45)10-18/h2-12,16,25,28-29,31-33,36-40,42-46,48-49,51-55H,13-15H2,1H3/b9-4+/t16-,25+,28-,29+,31+,32-,33+,36+,37-,38+,39-,40-,41+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human liver LDH5 using pyruvate as substrate and NADH as cofactor measured after 15 mins by fluorescence assay				J Nat Prod 80: 2077-2087 (2017) Article DOI: 10.1021/acs.jnatprod.7b00295 BindingDB Entry DOI: 10.7270/Q22N54W0
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50456575 (CHEMBL4205695) Show SMILES [H][C@@]1(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)O[C@H]2Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)OC[C@](O)(CO)[C@H]1O |r| Show InChI InChI=1S/C32H38O20/c1-10-19(38)22(41)24(43)29(48-10)46-7-17-20(39)23(42)27(52-31-28(44)32(45,8-33)9-47-31)30(50-17)51-26-21(40)18-15(37)5-12(34)6-16(18)49-25(26)11-2-3-13(35)14(36)4-11/h2-6,10,17,19-20,22-24,27-31,33-39,41-45H,7-9H2,1H3/t10-,17+,19-,20+,22+,23-,24+,27+,28-,29+,30-,31-,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human liver LDH5 using pyruvate as substrate and NADH as cofactor measured after 15 mins by fluorescence assay				J Nat Prod 80: 2077-2087 (2017) Article DOI: 10.1021/acs.jnatprod.7b00295 BindingDB Entry DOI: 10.7270/Q22N54W0
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50456572 (CHEMBL4218023) Show SMILES [H][C@@]1(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)O[C@H]2Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)OC[C@](O)(COC(=O)\C=C\c2ccc(O)c(OC)c2)[C@H]1O |r| Show InChI InChI=1S/C42H46O23/c1-16-29(49)32(52)34(54)39(61-16)58-13-26-30(50)33(53)37(65-41-38(55)42(56,15-60-41)14-59-27(48)8-4-17-3-6-21(45)24(9-17)57-2)40(63-26)64-36-31(51)28-23(47)11-19(43)12-25(28)62-35(36)18-5-7-20(44)22(46)10-18/h3-12,16,26,29-30,32-34,37-41,43-47,49-50,52-56H,13-15H2,1-2H3/b8-4+/t16-,26+,29-,30+,32+,33-,34+,37+,38-,39+,40-,41-,42+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human liver LDH5 using pyruvate as substrate and NADH as cofactor measured after 15 mins by fluorescence assay				J Nat Prod 80: 2077-2087 (2017) Article DOI: 10.1021/acs.jnatprod.7b00295 BindingDB Entry DOI: 10.7270/Q22N54W0
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50456582 (CHEMBL4205812) Show SMILES [H][C@@]1(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)O[C@H]2Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)OC[C@](O)(COC(=O)c2ccccc2)[C@H]1O |r| Show InChI InChI=1S/C39H42O21/c1-15-25(44)28(47)30(49)36(56-15)53-12-23-26(45)29(48)33(60-38-34(50)39(52,14-55-38)13-54-35(51)16-5-3-2-4-6-16)37(58-23)59-32-27(46)24-21(43)10-18(40)11-22(24)57-31(32)17-7-8-19(41)20(42)9-17/h2-11,15,23,25-26,28-30,33-34,36-38,40-45,47-50,52H,12-14H2,1H3/t15-,23+,25-,26+,28+,29-,30+,33+,34-,36+,37-,38-,39+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human liver LDH5 using pyruvate as substrate and NADH as cofactor measured after 15 mins by fluorescence assay				J Nat Prod 80: 2077-2087 (2017) Article DOI: 10.1021/acs.jnatprod.7b00295 BindingDB Entry DOI: 10.7270/Q22N54W0
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50456577 (CHEMBL4207766) Show SMILES [H][C@@]1(O[C@H]2[C@H](O)[C@@H](CO)O[C@H](O[C@]3(CO)O[C@H](COC(=O)c4ccccc4)[C@@H](O)[C@@H]3O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C25H36O17/c26-6-11-14(29)17(32)18(33)23(38-11)40-20-15(30)12(7-27)39-24(19(20)34)42-25(9-28)21(35)16(31)13(41-25)8-37-22(36)10-4-2-1-3-5-10/h1-5,11-21,23-24,26-35H,6-9H2/t11-,12-,13-,14-,15-,16-,17+,18-,19-,20+,21+,23+,24-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human liver LDH5 using pyruvate as substrate and NADH as cofactor measured after 15 mins by fluorescence assay				J Nat Prod 80: 2077-2087 (2017) Article DOI: 10.1021/acs.jnatprod.7b00295 BindingDB Entry DOI: 10.7270/Q22N54W0
					More data for this Ligand-Target Pair
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50241990 (CHEMBL502489 | Camboginol | Garcinol | Garcinol, 1) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6@@H](-[#6][C@@]12[#6]-[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6]1=O)[#6]2=O)-[#6](-[#6])=[#6] |r,TLB:40:39:26.24.37:15.8.9| Show InChI InChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h11-12,14,16-17,19,27-28,31,39-40H,7,13,15,18,20-21H2,1-6,8-10H3/t27-,28+,31?,37+,38-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a	37
Universitá degli Studi di Salerno					Assay Description The p300 activity assays were performed by a colorimetric kit (JM-K322-100, MBL) using active recombinant p300/HAT as positive control and acetyl-CoA...				Chembiochem 11: 818-27 (2010) Article DOI: 10.1002/cbic.200900721 BindingDB Entry DOI: 10.7270/Q2S1810J
					More data for this Ligand-Target Pair
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM84873 (Nemorosone, 2) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6@@H]1-[#6][C@@]2([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)[C@@]([#6](=O)-c3ccccc3)([#6]2=O)C1([#6])[#6] |r,THB:33:32:15.21.13:34.6.5| Show InChI InChI=1S/C33H42O4/c1-21(2)14-16-25-20-32(19-18-23(5)6)28(35)26(17-15-22(3)4)29(36)33(30(32)37,31(25,7)8)27(34)24-12-10-9-11-13-24/h9-15,18,25-26H,16-17,19-20H2,1-8H3/t25-,26?,32+,33+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a	37
Universitá degli Studi di Salerno					Assay Description The p300 activity assays were performed by a colorimetric kit (JM-K322-100, MBL) using active recombinant p300/HAT as positive control and acetyl-CoA...				Chembiochem 11: 818-27 (2010) Article DOI: 10.1002/cbic.200900721 BindingDB Entry DOI: 10.7270/Q2S1810J
					More data for this Ligand-Target Pair
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM84874 (Guttiferone A, 3) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6@H]1-[#6][C@@]2([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6](=O)[C@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]2=O)[C@]1([#6])[#6]-[#6]=[#6](-[#6])-[#6] |r,THB:35:34:15.26.13:36.6.5| Show InChI InChI=1S/C37H48O6/c1-22(2)10-12-27-21-36(18-15-24(5)6)32(41)30(31(40)26-11-13-28(38)29(39)20-26)33(42)37(34(36)43,19-16-25(7)8)35(27,9)17-14-23(3)4/h10-11,13-16,20,27,30,38-39H,12,17-19,21H2,1-9H3/t27-,30?,35+,36-,37+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	37
Universitá degli Studi di Salerno					Assay Description The p300 activity assays were performed by a colorimetric kit (JM-K322-100, MBL) using active recombinant p300/HAT as positive control and acetyl-CoA...				Chembiochem 11: 818-27 (2010) Article DOI: 10.1002/cbic.200900721 BindingDB Entry DOI: 10.7270/Q2S1810J
					More data for this Ligand-Target Pair
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM84875 (Guttiferone E, 4) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6](-[#6]-[#6](-[#6]=[#6](-[#6])-[#6])[C@]12[#6]-[#6@H](-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[C@]([#6]\[#6]=[#6](\[#6])-[#6])([#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6]1=O)[#6]2=O)-[#6](-[#6])=[#6] |r,TLB:45:44:31.29.42:20.13.14| Show InChI InChI=1S/C43H58O6/c1-25(2)13-15-30(29(9)10)22-33(21-28(7)8)42-24-32(17-14-26(3)4)41(11,12)43(40(42)49,20-19-27(5)6)39(48)36(38(42)47)37(46)31-16-18-34(44)35(45)23-31/h13-14,16,18-19,21,23,30,32-33,36,44-45H,9,15,17,20,22,24H2,1-8,10-12H3/t30?,32-,33?,36?,42+,43+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	390	n/a	n/a	n/a	n/a	37
Universitá degli Studi di Salerno					Assay Description The p300 activity assays were performed by a colorimetric kit (JM-K322-100, MBL) using active recombinant p300/HAT as positive control and acetyl-CoA...				Chembiochem 11: 818-27 (2010) Article DOI: 10.1002/cbic.200900721 BindingDB Entry DOI: 10.7270/Q2S1810J
					More data for this Ligand-Target Pair
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM84877 (Clusianone, 10) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6@@H]1-[#6][C@@]2([#6]\[#6]=[#6](/[#6])-[#6])[#6](=O)-[#6](-[#6](=O)-c3ccccc3)-[#6](=O)[C@]([#6]\[#6]=[#6](/[#6])-[#6])([#6]2=O)C1([#6])[#6] |r,THB:33:32:15.24.13:34.6.5| Show InChI InChI=1S/C33H42O4/c1-21(2)14-15-25-20-32(18-16-22(3)4)28(35)26(27(34)24-12-10-9-11-13-24)29(36)33(30(32)37,31(25,7)8)19-17-23(5)6/h9-14,16-17,25-26H,15,18-20H2,1-8H3/t25-,26?,32+,33-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	810	n/a	n/a	n/a	n/a	37
Universitá degli Studi di Salerno					Assay Description The p300 activity assays were performed by a colorimetric kit (JM-K322-100, MBL) using active recombinant p300/HAT as positive control and acetyl-CoA...				Chembiochem 11: 818-27 (2010) Article DOI: 10.1002/cbic.200900721 BindingDB Entry DOI: 10.7270/Q2S1810J
					More data for this Ligand-Target Pair
Tubulin--tyrosine ligase (Homo sapiens (Human))	BDBM50293285 (23,6alpha-epoxy-labd-8,13(14),17-trien-16(R),19-ol...) Show SMILES C\C(CC[C@H]1C(=C)C[C@@H]2OC[C@]3(C)CCC[C@@]1(C)[C@@H]23)=C/C[C@H]1OC(=O)C=C1C |r,c:28| Show InChI InChI=1S/C25H36O3/c1-16(8-10-20-18(3)14-22(26)28-20)7-9-19-17(2)13-21-23-24(4,15-27-21)11-6-12-25(19,23)5/h8,14,19-21,23H,2,6-7,9-13,15H2,1,3-5H3/b16-8+/t19-,20+,21-,23-,24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a
Universita di Salerno Curated by ChEMBL					Assay Description Binding affinity to TTL by surface plasmon resonance				J Med Chem 52: 3814-28 (2009) Article DOI: 10.1021/jm801637f BindingDB Entry DOI: 10.7270/Q2JD4WQD
					More data for this Ligand-Target Pair
Tubulin--tyrosine ligase (Homo sapiens (Human))	BDBM50293286 (8alpha-23-dihydroxy-23,6alpha-epoxy-labd-13(14),15...) Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@@H]2OC(O)[C@]3(C)CCC[C@@]1(C)[C@@H]23)=C/C=C1\OC(=O)C=C1C |r,c:30| Show InChI InChI=1S/C25H36O5/c1-15(7-9-17-16(2)13-20(26)29-17)8-10-19-23(3)11-6-12-24(4)21(23)18(30-22(24)27)14-25(19,5)28/h7,9,13,18-19,21-22,27-28H,6,8,10-12,14H2,1-5H3/b15-7+,17-9-/t18-,19+,21+,22?,23+,24+,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a
Universita di Salerno Curated by ChEMBL					Assay Description Binding affinity to TTL by surface plasmon resonance				J Med Chem 52: 3814-28 (2009) Article DOI: 10.1021/jm801637f BindingDB Entry DOI: 10.7270/Q2JD4WQD
					More data for this Ligand-Target Pair
Tubulin--tyrosine ligase (Homo sapiens (Human))	BDBM50293287 (8alpha-hydroxylabd-13(14),15,17-trien-6alpha,23-16...) Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@@H]2OC(=O)[C@]3(C)CCC[C@@]1(C)[C@@H]23)=C/C=C1\OC(=O)C=C1C |r,c:30| Show InChI InChI=1S/C25H34O5/c1-15(7-9-17-16(2)13-20(26)29-17)8-10-19-23(3)11-6-12-24(4)21(23)18(30-22(24)27)14-25(19,5)28/h7,9,13,18-19,21,28H,6,8,10-12,14H2,1-5H3/b15-7+,17-9-/t18-,19+,21+,23+,24+,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a
Universita di Salerno Curated by ChEMBL					Assay Description Binding affinity to TTL by surface plasmon resonance				J Med Chem 52: 3814-28 (2009) Article DOI: 10.1021/jm801637f BindingDB Entry DOI: 10.7270/Q2JD4WQD
					More data for this Ligand-Target Pair
Tubulin--tyrosine ligase (Homo sapiens (Human))	BDBM50293288 (6alpha,8alpha-dihydroxy-23-oxo-13(14),15,17-trien-...) Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@H]2[C@@](C)(CCC[C@]12C)C=O)=C/C=C1\OC(=O)C=C1C |r,c:29| Show InChI InChI=1S/C25H36O5/c1-16(7-9-19-17(2)13-21(28)30-19)8-10-20-24(4)12-6-11-23(3,15-26)22(24)18(27)14-25(20,5)29/h7,9,13,15,18,20,22,27,29H,6,8,10-12,14H2,1-5H3/b16-7+,19-9-/t18-,20+,22-,23-,24+,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a
Universita di Salerno Curated by ChEMBL					Assay Description Binding affinity to TTL by surface plasmon resonance				J Med Chem 52: 3814-28 (2009) Article DOI: 10.1021/jm801637f BindingDB Entry DOI: 10.7270/Q2JD4WQD
					More data for this Ligand-Target Pair
Tubulin--tyrosine ligase (Homo sapiens (Human))	BDBM50293289 (6alpha,8alpha-dihydroxy-23-carbossi-labd-13(14),15...) Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@@H]2[C@]1(C)CCC[C@@]2(C)C(O)=O)=C/C=C1\OC(=O)C=C1C |r,c:30| Show InChI InChI=1S/C25H36O6/c1-15(7-9-18-16(2)13-20(27)31-18)8-10-19-23(3)11-6-12-24(4,22(28)29)21(23)17(26)14-25(19,5)30/h7,9,13,17,19,21,26,30H,6,8,10-12,14H2,1-5H3,(H,28,29)/b15-7+,18-9-/t17-,19+,21+,23+,24+,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a
Universita di Salerno Curated by ChEMBL					Assay Description Binding affinity to TTL by surface plasmon resonance				J Med Chem 52: 3814-28 (2009) Article DOI: 10.1021/jm801637f BindingDB Entry DOI: 10.7270/Q2JD4WQD
					More data for this Ligand-Target Pair
Tubulin--tyrosine ligase (Homo sapiens (Human))	BDBM50293290 (6alpha,8alpha,23-trihydroxy-labd-13(14),15,17-trie...) Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@H]2[C@](C)(CO)CCC[C@]12C)=C/C=C1\OC(=O)C=C1C |r,c:29| Show InChI InChI=1S/C25H38O5/c1-16(7-9-19-17(2)13-21(28)30-19)8-10-20-24(4)12-6-11-23(3,15-26)22(24)18(27)14-25(20,5)29/h7,9,13,18,20,22,26-27,29H,6,8,10-12,14-15H2,1-5H3/b16-7+,19-9-/t18-,20+,22-,23-,24+,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a
Universita di Salerno Curated by ChEMBL					Assay Description Binding affinity to TTL by surface plasmon resonance				J Med Chem 52: 3814-28 (2009) Article DOI: 10.1021/jm801637f BindingDB Entry DOI: 10.7270/Q2JD4WQD
					More data for this Ligand-Target Pair
Tubulin--tyrosine ligase (Homo sapiens (Human))	BDBM50293291 (6alpha,15(S)-dihydroxy-23-oxo-labd-8(22),13(14),17...) Show SMILES C\C(CC[C@H]1C(=C)C[C@H](O)[C@H]2[C@@](C)(CCC[C@]12C)C=O)=C/[C@H](O)[C@H]1OC(=O)C=C1C |r,c:29| Show InChI InChI=1S/C25H36O5/c1-15(11-19(27)22-17(3)13-21(29)30-22)7-8-18-16(2)12-20(28)23-24(4,14-26)9-6-10-25(18,23)5/h11,13-14,18-20,22-23,27-28H,2,6-10,12H2,1,3-5H3/b15-11+/t18-,19-,20-,22-,23-,24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a
Universita di Salerno Curated by ChEMBL					Assay Description Binding affinity to TTL by surface plasmon resonance				J Med Chem 52: 3814-28 (2009) Article DOI: 10.1021/jm801637f BindingDB Entry DOI: 10.7270/Q2JD4WQD
					More data for this Ligand-Target Pair
Tubulin--tyrosine ligase (Homo sapiens (Human))	BDBM50293292 (6alpha,15(S),23-trihydroxy-labd-8(22),13(14),17-tr...) Show SMILES C\C(CC[C@H]1C(=C)C[C@H](O)[C@H]2[C@](C)(CO)CCC[C@]12C)=C/[C@H](O)[C@H]1OC(=O)C=C1C |r,c:29| Show InChI InChI=1S/C25H38O5/c1-15(11-19(27)22-17(3)13-21(29)30-22)7-8-18-16(2)12-20(28)23-24(4,14-26)9-6-10-25(18,23)5/h11,13,18-20,22-23,26-28H,2,6-10,12,14H2,1,3-5H3/b15-11+/t18-,19-,20-,22-,23-,24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
Universita di Salerno Curated by ChEMBL					Assay Description Binding affinity to TTL by surface plasmon resonance				J Med Chem 52: 3814-28 (2009) Article DOI: 10.1021/jm801637f BindingDB Entry DOI: 10.7270/Q2JD4WQD
					More data for this Ligand-Target Pair
Tubulin--tyrosine ligase (Homo sapiens (Human))	BDBM50293293 (6alpha,8alpha-dihydroxy-23-oxo-labd-13(14),17-dien...) Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@H]2[C@@](C)(CCC[C@]12C)C=O)=C/C[C@H]1OC(=O)C=C1C |r,c:29| Show InChI InChI=1S/C25H38O5/c1-16(7-9-19-17(2)13-21(28)30-19)8-10-20-24(4)12-6-11-23(3,15-26)22(24)18(27)14-25(20,5)29/h7,13,15,18-20,22,27,29H,6,8-12,14H2,1-5H3/b16-7+/t18-,19+,20+,22-,23-,24+,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a
Universita di Salerno Curated by ChEMBL					Assay Description Binding affinity to TTL by surface plasmon resonance				J Med Chem 52: 3814-28 (2009) Article DOI: 10.1021/jm801637f BindingDB Entry DOI: 10.7270/Q2JD4WQD
					More data for this Ligand-Target Pair
Tubulin--tyrosine ligase (Homo sapiens (Human))	BDBM50293294 (6alpha,8alpha,15(S)-trihydroxy-23-oxo-labd-13(14),...) Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@H]2[C@@](C)(CCC[C@]12C)C=O)=C/[C@H](O)[C@H]1OC(=O)C=C1C |r,c:30| Show InChI InChI=1S/C25H38O6/c1-15(11-17(27)21-16(2)12-20(29)31-21)7-8-19-24(4)10-6-9-23(3,14-26)22(24)18(28)13-25(19,5)30/h11-12,14,17-19,21-22,27-28,30H,6-10,13H2,1-5H3/b15-11+/t17-,18-,19+,21-,22-,23-,24+,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a
Universita di Salerno Curated by ChEMBL					Assay Description Binding affinity to TTL by surface plasmon resonance				J Med Chem 52: 3814-28 (2009) Article DOI: 10.1021/jm801637f BindingDB Entry DOI: 10.7270/Q2JD4WQD
					More data for this Ligand-Target Pair
Tubulin--tyrosine ligase (Homo sapiens (Human))	BDBM50293295 (6alpha,8alpha,15(S)-trihydroxy-23-carbossimethylla...) Show SMILES COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H](CC\C(C)=C\[C@H](O)[C@H]3OC(=O)C=C3C)[C@](C)(O)C[C@H](O)[C@@H]12 |r,c:23| Show InChI InChI=1S/C26H40O7/c1-15(12-17(27)21-16(2)13-20(29)33-21)8-9-19-24(3)10-7-11-25(4,23(30)32-6)22(24)18(28)14-26(19,5)31/h12-13,17-19,21-22,27-28,31H,7-11,14H2,1-6H3/b15-12+/t17-,18-,19+,21-,22+,24+,25+,26+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a
Universita di Salerno Curated by ChEMBL					Assay Description Binding affinity to TTL by surface plasmon resonance				J Med Chem 52: 3814-28 (2009) Article DOI: 10.1021/jm801637f BindingDB Entry DOI: 10.7270/Q2JD4WQD
					More data for this Ligand-Target Pair
Tubulin--tyrosine ligase (Homo sapiens (Human))	BDBM50293296 (6alpha,8alpha-dihydroxy-23-carbossi-labd-13(14),17...) Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@@H]2[C@]1(C)CCC[C@@]2(C)C(O)=O)=C/CC1OC(=O)C=C1C |r,c:30| Show InChI InChI=1S/C25H38O6/c1-15(7-9-18-16(2)13-20(27)31-18)8-10-19-23(3)11-6-12-24(4,22(28)29)21(23)17(26)14-25(19,5)30/h7,13,17-19,21,26,30H,6,8-12,14H2,1-5H3,(H,28,29)/b15-7+/t17-,18?,19+,21+,23+,24+,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a
Universita di Salerno Curated by ChEMBL					Assay Description Binding affinity to TTL by surface plasmon resonance				J Med Chem 52: 3814-28 (2009) Article DOI: 10.1021/jm801637f BindingDB Entry DOI: 10.7270/Q2JD4WQD
					More data for this Ligand-Target Pair
Tubulin--tyrosine ligase (Homo sapiens (Human))	BDBM50293297 (6alpha,8alpha,15(S)-trihydroxy-23-carbossi-labd-13...) Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@@H]2[C@]1(C)CCC[C@@]2(C)C(O)=O)=C/[C@H](O)[C@H]1OC(=O)C=C1C |r,c:31| Show InChI InChI=1S/C25H38O7/c1-14(11-16(26)20-15(2)12-19(28)32-20)7-8-18-23(3)9-6-10-24(4,22(29)30)21(23)17(27)13-25(18,5)31/h11-12,16-18,20-21,26-27,31H,6-10,13H2,1-5H3,(H,29,30)/b14-11+/t16-,17-,18+,20-,21+,23+,24+,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a
Universita di Salerno Curated by ChEMBL					Assay Description Binding affinity to TTL by surface plasmon resonance				J Med Chem 52: 3814-28 (2009) Article DOI: 10.1021/jm801637f BindingDB Entry DOI: 10.7270/Q2JD4WQD
					More data for this Ligand-Target Pair
Tubulin--tyrosine ligase (Homo sapiens (Human))	BDBM50293298 (6alpha,8alpha,23-trihydroxy-labd-13(14),17-dien-16...) Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@H]2[C@](C)(CO)CCC[C@]12C)=C/C[C@H]1OC(=O)C=C1C |r,c:29| Show InChI InChI=1S/C25H40O5/c1-16(7-9-19-17(2)13-21(28)30-19)8-10-20-24(4)12-6-11-23(3,15-26)22(24)18(27)14-25(20,5)29/h7,13,18-20,22,26-27,29H,6,8-12,14-15H2,1-5H3/b16-7+/t18-,19+,20+,22-,23-,24+,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a
Universita di Salerno Curated by ChEMBL					Assay Description Binding affinity to TTL by surface plasmon resonance				J Med Chem 52: 3814-28 (2009) Article DOI: 10.1021/jm801637f BindingDB Entry DOI: 10.7270/Q2JD4WQD
					More data for this Ligand-Target Pair
Tubulin--tyrosine ligase (Homo sapiens (Human))	BDBM50293299 (6alpha,8alpha,15(S),23-tetrahydroxy-labd-13(14),17...) Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@H]2[C@](C)(CO)CCC[C@]12C)=C/[C@H](O)[C@H]1OC(=O)C=C1C |r,c:30| Show InChI InChI=1S/C25H40O6/c1-15(11-17(27)21-16(2)12-20(29)31-21)7-8-19-24(4)10-6-9-23(3,14-26)22(24)18(28)13-25(19,5)30/h11-12,17-19,21-22,26-28,30H,6-10,13-14H2,1-5H3/b15-11+/t17-,18-,19+,21-,22-,23-,24+,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a
Universita di Salerno Curated by ChEMBL					Assay Description Binding affinity to TTL by surface plasmon resonance				J Med Chem 52: 3814-28 (2009) Article DOI: 10.1021/jm801637f BindingDB Entry DOI: 10.7270/Q2JD4WQD
					More data for this Ligand-Target Pair
Tubulin--tyrosine ligase (Homo sapiens (Human))	BDBM50293300 (8alpha-hydroxy,23alpha-O-ethyl-23,6alpha-epoxy-lab...) Show SMILES CCO[C@H]1O[C@H]2C[C@@](C)(O)[C@H](CC\C(C)=C\C[C@H]3OC(=O)C=C3C)[C@@]3(C)CCC[C@]1(C)[C@H]23 |r,c:21| Show InChI InChI=1S/C27H42O5/c1-7-30-24-26(5)14-8-13-25(4)21(27(6,29)16-20(32-24)23(25)26)12-10-17(2)9-11-19-18(3)15-22(28)31-19/h9,15,19-21,23-24,29H,7-8,10-14,16H2,1-6H3/b17-9+/t19-,20+,21-,23-,24+,25-,26-,27-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a
Universita di Salerno Curated by ChEMBL					Assay Description Binding affinity to TTL by surface plasmon resonance				J Med Chem 52: 3814-28 (2009) Article DOI: 10.1021/jm801637f BindingDB Entry DOI: 10.7270/Q2JD4WQD
					More data for this Ligand-Target Pair
Tubulin--tyrosine ligase (Homo sapiens (Human))	BDBM50293301 (8alpha,15(S)-dihydroxy,23alpha-O-ethyl-23,6alpha-e...) Show SMILES CCO[C@H]1O[C@H]2C[C@@](C)(O)[C@H](CC\C(C)=C\[C@H](O)[C@H]3OC(=O)C=C3C)[C@@]3(C)CCC[C@]1(C)[C@H]23 |r,c:22| Show InChI InChI=1S/C27H42O6/c1-7-31-24-26(5)12-8-11-25(4)20(27(6,30)15-19(32-24)23(25)26)10-9-16(2)13-18(28)22-17(3)14-21(29)33-22/h13-14,18-20,22-24,28,30H,7-12,15H2,1-6H3/b16-13+/t18-,19-,20+,22-,23+,24-,25+,26+,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a
Universita di Salerno Curated by ChEMBL					Assay Description Binding affinity to TTL by surface plasmon resonance				J Med Chem 52: 3814-28 (2009) Article DOI: 10.1021/jm801637f BindingDB Entry DOI: 10.7270/Q2JD4WQD
					More data for this Ligand-Target Pair

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