Compile Data Set for Download or QSAR

Found 61 hits with Last Name = 'monaldi' and Initial = 'd'   

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
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50346863 (CHEMBL1797640 | US8765820, 5b) Show SMILES NC1CC1c1ccc(NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C16H16N2O/c17-15-10-14(15)11-6-8-13(9-7-11)18-16(19)12-4-2-1-3-5-12/h1-9,14-15H,10,17H2,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Roma Curated by ChEMBL					Assay Description Inhibition of LSD1 (unknown origin)				Eur J Med Chem 94: 163-74 (2015) Article DOI: 10.1016/j.ejmech.2015.02.060 BindingDB Entry DOI: 10.7270/Q2JQ12QF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50078895 (CHEMBL3416426) Show SMILES Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C16H16N2O/c17-15-10-14(15)11-6-8-13(9-7-11)18-16(19)12-4-2-1-3-5-12/h1-9,14-15H,10,17H2,(H,18,19)/t14-,15+/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	13	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Roma Curated by ChEMBL					Assay Description Inhibition of human recombinant LSD1 expressed in Escherichia coli using methylated H3K4peptide as substrate incubated for 15 mins prior to substrate...				Eur J Med Chem 94: 163-74 (2015) Article DOI: 10.1016/j.ejmech.2015.02.060 BindingDB Entry DOI: 10.7270/Q2JQ12QF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50346863 (CHEMBL1797640 | US8765820, 5b) Show SMILES NC1CC1c1ccc(NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C16H16N2O/c17-15-10-14(15)11-6-8-13(9-7-11)18-16(19)12-4-2-1-3-5-12/h1-9,14-15H,10,17H2,(H,18,19)	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	19	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Roma Curated by ChEMBL					Assay Description Inhibition of human recombinant LSD1 expressed in Escherichia coli using methylated H3K4peptide as substrate incubated for 15 mins prior to substrate...				Eur J Med Chem 94: 163-74 (2015) Article DOI: 10.1016/j.ejmech.2015.02.060 BindingDB Entry DOI: 10.7270/Q2JQ12QF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50078896 (CHEMBL3416427) Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C16H16N2O/c17-15-10-14(15)11-6-8-13(9-7-11)18-16(19)12-4-2-1-3-5-12/h1-9,14-15H,10,17H2,(H,18,19)/t14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Roma Curated by ChEMBL					Assay Description Inhibition of human recombinant LSD1 expressed in Escherichia coli using methylated H3K4peptide as substrate incubated for 15 mins prior to substrate...				Eur J Med Chem 94: 163-74 (2015) Article DOI: 10.1016/j.ejmech.2015.02.060 BindingDB Entry DOI: 10.7270/Q2JQ12QF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50078893 (CHEMBL3416432) Show SMILES Cl.N[C@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C16H16N2O/c17-15-10-14(15)11-6-8-13(9-7-11)18-16(19)12-4-2-1-3-5-12/h1-9,14-15H,10,17H2,(H,18,19)/t14-,15-/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	22	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Roma Curated by ChEMBL					Assay Description Inhibition of human recombinant LSD1 expressed in Escherichia coli using methylated H3K4peptide as substrate incubated for 15 mins prior to substrate...				Eur J Med Chem 94: 163-74 (2015) Article DOI: 10.1016/j.ejmech.2015.02.060 BindingDB Entry DOI: 10.7270/Q2JQ12QF
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50078896 (CHEMBL3416427) Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C16H16N2O/c17-15-10-14(15)11-6-8-13(9-7-11)18-16(19)12-4-2-1-3-5-12/h1-9,14-15H,10,17H2,(H,18,19)/t14-,15+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Roma Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 15 mins prior to substrate addition measured after 30 mins by lumines...				Eur J Med Chem 94: 163-74 (2015) Article DOI: 10.1016/j.ejmech.2015.02.060 BindingDB Entry DOI: 10.7270/Q2JQ12QF
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50078893 (CHEMBL3416432) Show SMILES Cl.N[C@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C16H16N2O/c17-15-10-14(15)11-6-8-13(9-7-11)18-16(19)12-4-2-1-3-5-12/h1-9,14-15H,10,17H2,(H,18,19)/t14-,15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Roma Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 15 mins prior to substrate addition measured after 30 mins by lumines...				Eur J Med Chem 94: 163-74 (2015) Article DOI: 10.1016/j.ejmech.2015.02.060 BindingDB Entry DOI: 10.7270/Q2JQ12QF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50078894 (CHEMBL3416431) Show SMILES Cl.N[C@@H]1C[C@@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C16H16N2O/c17-15-10-14(15)11-6-8-13(9-7-11)18-16(19)12-4-2-1-3-5-12/h1-9,14-15H,10,17H2,(H,18,19)/t14-,15-/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	26	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Roma Curated by ChEMBL					Assay Description Inhibition of human recombinant LSD1 expressed in Escherichia coli using methylated H3K4peptide as substrate incubated for 15 mins prior to substrate...				Eur J Med Chem 94: 163-74 (2015) Article DOI: 10.1016/j.ejmech.2015.02.060 BindingDB Entry DOI: 10.7270/Q2JQ12QF
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50346863 (CHEMBL1797640 | US8765820, 5b) Show SMILES NC1CC1c1ccc(NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C16H16N2O/c17-15-10-14(15)11-6-8-13(9-7-11)18-16(19)12-4-2-1-3-5-12/h1-9,14-15H,10,17H2,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Roma Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 15 mins prior to substrate addition measured after 30 mins by lumines...				Eur J Med Chem 94: 163-74 (2015) Article DOI: 10.1016/j.ejmech.2015.02.060 BindingDB Entry DOI: 10.7270/Q2JQ12QF
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50078894 (CHEMBL3416431) Show SMILES Cl.N[C@@H]1C[C@@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C16H16N2O/c17-15-10-14(15)11-6-8-13(9-7-11)18-16(19)12-4-2-1-3-5-12/h1-9,14-15H,10,17H2,(H,18,19)/t14-,15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Roma Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 15 mins prior to substrate addition measured after 30 mins by lumines...				Eur J Med Chem 94: 163-74 (2015) Article DOI: 10.1016/j.ejmech.2015.02.060 BindingDB Entry DOI: 10.7270/Q2JQ12QF
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50078895 (CHEMBL3416426) Show SMILES Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C16H16N2O/c17-15-10-14(15)11-6-8-13(9-7-11)18-16(19)12-4-2-1-3-5-12/h1-9,14-15H,10,17H2,(H,18,19)/t14-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Roma Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 15 mins prior to substrate addition measured after 30 mins by lumines...				Eur J Med Chem 94: 163-74 (2015) Article DOI: 10.1016/j.ejmech.2015.02.060 BindingDB Entry DOI: 10.7270/Q2JQ12QF
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50078892 (CHEMBL3416434) Show SMILES Cl.N[C@H]1C[C@H]1c1cccc(NC(=O)c2ccccc2)c1 |r| Show InChI InChI=1S/C16H16N2O/c17-15-10-14(15)12-7-4-8-13(9-12)18-16(19)11-5-2-1-3-6-11/h1-9,14-15H,10,17H2,(H,18,19)/t14-,15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Roma Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 15 mins prior to substrate addition measured after 30 mins by lumines...				Eur J Med Chem 94: 163-74 (2015) Article DOI: 10.1016/j.ejmech.2015.02.060 BindingDB Entry DOI: 10.7270/Q2JQ12QF
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148781 (CHEMBL3770903) Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)n1 Show InChI InChI=1S/C22H20N4OS2/c1-14-10-15(2)25-22(24-14)28-13-20(27)26-21-23-12-18(29-21)11-17-8-5-7-16-6-3-4-9-19(16)17/h3-10,12H,11,13H2,1-2H3,(H,23,26,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of human sirtuin 2 (25 to 389 residues) assessed as inhibition of substrate deacetylation using ZMAL as substrate incubated for 4 hrs by f...				J Med Chem 62: 8733-8759 (2019) Article DOI: 10.1021/acs.jmedchem.9b00638 BindingDB Entry DOI: 10.7270/Q25142HK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50078892 (CHEMBL3416434) Show SMILES Cl.N[C@H]1C[C@H]1c1cccc(NC(=O)c2ccccc2)c1 |r| Show InChI InChI=1S/C16H16N2O/c17-15-10-14(15)12-7-4-8-13(9-12)18-16(19)11-5-2-1-3-6-11/h1-9,14-15H,10,17H2,(H,18,19)/t14-,15-/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	450	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Roma Curated by ChEMBL					Assay Description Inhibition of human recombinant LSD1 expressed in Escherichia coli using methylated H3K4peptide as substrate incubated for 15 mins prior to substrate...				Eur J Med Chem 94: 163-74 (2015) Article DOI: 10.1016/j.ejmech.2015.02.060 BindingDB Entry DOI: 10.7270/Q2JQ12QF
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50078899 (CHEMBL3416433) Show SMILES Cl.N[C@@H]1C[C@@H]1c1cccc(NC(=O)c2ccccc2)c1 |r| Show InChI InChI=1S/C16H16N2O/c17-15-10-14(15)12-7-4-8-13(9-12)18-16(19)11-5-2-1-3-6-11/h1-9,14-15H,10,17H2,(H,18,19)/t14-,15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Roma Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 15 mins prior to substrate addition measured after 30 mins by lumines...				Eur J Med Chem 94: 163-74 (2015) Article DOI: 10.1016/j.ejmech.2015.02.060 BindingDB Entry DOI: 10.7270/Q2JQ12QF
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50240772 ((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...) Show SMILES N[C@@H]1C[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Roma Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB expressed in Pichia pastoris incubated for 15 mins prior to substrate addition measured after 30 mins by lumines...				Eur J Med Chem 94: 163-74 (2015) Article DOI: 10.1016/j.ejmech.2015.02.060 BindingDB Entry DOI: 10.7270/Q2JQ12QF
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50240772 ((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...) Show SMILES N[C@@H]1C[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Roma Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 15 mins prior to substrate addition measured after 30 mins by lumines...				Eur J Med Chem 94: 163-74 (2015) Article DOI: 10.1016/j.ejmech.2015.02.060 BindingDB Entry DOI: 10.7270/Q2JQ12QF
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50078897 (CHEMBL3416428) Show SMILES Cl.N[C@H]1C[C@@H]1c1cccc(NC(=O)c2ccccc2)c1 |r| Show InChI InChI=1S/C16H16N2O/c17-15-10-14(15)12-7-4-8-13(9-12)18-16(19)11-5-2-1-3-6-11/h1-9,14-15H,10,17H2,(H,18,19)/t14-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Roma Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 15 mins prior to substrate addition measured after 30 mins by lumines...				Eur J Med Chem 94: 163-74 (2015) Article DOI: 10.1016/j.ejmech.2015.02.060 BindingDB Entry DOI: 10.7270/Q2JQ12QF
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50078898 (CHEMBL3416429) Show SMILES Cl.N[C@@H]1C[C@H]1c1cccc(NC(=O)c2ccccc2)c1 |r| Show InChI InChI=1S/C16H16N2O/c17-15-10-14(15)12-7-4-8-13(9-12)18-16(19)11-5-2-1-3-6-11/h1-9,14-15H,10,17H2,(H,18,19)/t14-,15+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Roma Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 15 mins prior to substrate addition measured after 30 mins by lumines...				Eur J Med Chem 94: 163-74 (2015) Article DOI: 10.1016/j.ejmech.2015.02.060 BindingDB Entry DOI: 10.7270/Q2JQ12QF
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase (Schistosoma mansoni)	BDBM50505498 (CHEBI:31687 | Idebenone | Raxone) Show SMILES COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O |c:2,t:19| Show InChI InChI=1S/C19H30O5/c1-14-15(12-10-8-6-4-5-7-9-11-13-20)17(22)19(24-3)18(23-2)16(14)21/h20H,4-13H2,1-3H3	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of recombinant Schistosoma mansoni sirtuin 2 (21 to 322 residues) expressed in Escherichia coli BL21(DE3) cells using ZMAL as substrate af...				J Med Chem 62: 8733-8759 (2019) Article DOI: 10.1021/acs.jmedchem.9b00638 BindingDB Entry DOI: 10.7270/Q25142HK
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase (Schistosoma mansoni)	BDBM50505497 (CHEMBL4444104) Show SMILES COc1cc(OC)cc(Sc2ccc(cc2)C(N(C)c2ncc3c(N)nc(N)nc3n2)c2ccccc2)c1 Show InChI InChI=1S/C28H27N7O2S/c1-35(28-31-16-23-25(29)32-27(30)33-26(23)34-28)24(17-7-5-4-6-8-17)18-9-11-21(12-10-18)38-22-14-19(36-2)13-20(15-22)37-3/h4-16,24H,1-3H3,(H4,29,30,31,32,33,34)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of recombinant Schistosoma mansoni sirtuin 2 (21 to 322 residues) expressed in Escherichia coli BL21(DE3) cells using ZMAL as substrate af...				J Med Chem 62: 8733-8759 (2019) Article DOI: 10.1021/acs.jmedchem.9b00638 BindingDB Entry DOI: 10.7270/Q25142HK
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase (Schistosoma mansoni)	BDBM50505501 (CHEMBL4442390) Show SMILES COc1ccc(Oc2ccc(cc2)C(N(C)c2ncc3c(N)nc(N)nc3n2)c2ccccc2)cc1 Show InChI InChI=1S/C27H25N7O2/c1-34(27-30-16-22-24(28)31-26(29)32-25(22)33-27)23(17-6-4-3-5-7-17)18-8-10-20(11-9-18)36-21-14-12-19(35-2)13-15-21/h3-16,23H,1-2H3,(H4,28,29,30,31,32,33)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of recombinant Schistosoma mansoni sirtuin 2 (21 to 322 residues) expressed in Escherichia coli BL21(DE3) cells using ZMAL as substrate af...				J Med Chem 62: 8733-8759 (2019) Article DOI: 10.1021/acs.jmedchem.9b00638 BindingDB Entry DOI: 10.7270/Q25142HK
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM227596 (AEM2) Show SMILES O=C(NCc1cccnc1)c1ccc2NC(C3C4CCC(C4)C3c2c1)c1ccccc1 Show InChI InChI=1S/C27H27N3O/c31-27(29-16-17-5-4-12-28-15-17)21-10-11-23-22(14-21)24-19-8-9-20(13-19)25(24)26(30-23)18-6-2-1-3-7-18/h1-7,10-12,14-15,19-20,24-26,30H,8-9,13,16H2,(H,29,31)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of human sirtuin 2 assessed as inhibition of substrate deacetylation using ZMAL as substrate				J Med Chem 62: 8733-8759 (2019) Article DOI: 10.1021/acs.jmedchem.9b00638 BindingDB Entry DOI: 10.7270/Q25142HK
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50078899 (CHEMBL3416433) Show SMILES Cl.N[C@@H]1C[C@@H]1c1cccc(NC(=O)c2ccccc2)c1 |r| Show InChI InChI=1S/C16H16N2O/c17-15-10-14(15)12-7-4-8-13(9-12)18-16(19)11-5-2-1-3-6-11/h1-9,14-15H,10,17H2,(H,18,19)/t14-,15-/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	2.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Roma Curated by ChEMBL					Assay Description Inhibition of human recombinant LSD1 expressed in Escherichia coli using methylated H3K4peptide as substrate incubated for 15 mins prior to substrate...				Eur J Med Chem 94: 163-74 (2015) Article DOI: 10.1016/j.ejmech.2015.02.060 BindingDB Entry DOI: 10.7270/Q2JQ12QF
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase (Schistosoma mansoni)	BDBM50505504 (CHEMBL4567519) Show SMILES COc1cc(OC)cc(Oc2ccc(cc2)C(N(C)c2ncc3c(N)nc(N)nc3n2)c2ccccc2)c1 Show InChI InChI=1S/C28H27N7O3/c1-35(28-31-16-23-25(29)32-27(30)33-26(23)34-28)24(17-7-5-4-6-8-17)18-9-11-19(12-10-18)38-22-14-20(36-2)13-21(15-22)37-3/h4-16,24H,1-3H3,(H4,29,30,31,32,33,34)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of recombinant Schistosoma mansoni sirtuin 2 (21 to 322 residues) expressed in Escherichia coli BL21(DE3) cells using ZMAL as substrate af...				J Med Chem 62: 8733-8759 (2019) Article DOI: 10.1021/acs.jmedchem.9b00638 BindingDB Entry DOI: 10.7270/Q25142HK
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50505506 (CHEMBL3431191) Show SMILES CC(=O)Nc1ccc(cc1)-c1noc(CC2CCCN(Cc3cccc(F)c3C)C2)n1 Show InChI InChI=1S/C24H27FN4O2/c1-16-20(6-3-7-22(16)25)15-29-12-4-5-18(14-29)13-23-27-24(28-31-23)19-8-10-21(11-9-19)26-17(2)30/h3,6-11,18H,4-5,12-15H2,1-2H3,(H,26,30)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal His6 tagged human sirtuin 2 (25 to 389 residues) using Cbz-Lys(acetyl)-AMC as substrate after 4 hrs in presence of NAD+ by h...				J Med Chem 62: 8733-8759 (2019) Article DOI: 10.1021/acs.jmedchem.9b00638 BindingDB Entry DOI: 10.7270/Q25142HK
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148776 (CHEMBL3769988) Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3ccccc3)s2)n1 Show InChI InChI=1S/C18H18N4OS2/c1-12-8-13(2)21-18(20-12)24-11-16(23)22-17-19-10-15(25-17)9-14-6-4-3-5-7-14/h3-8,10H,9,11H2,1-2H3,(H,19,22,23)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of human sirtuin 2 (25 to 389 residues) assessed as inhibition of substrate deacetylation using ZMAL as substrate incubated for 4 hrs by f...				J Med Chem 62: 8733-8759 (2019) Article DOI: 10.1021/acs.jmedchem.9b00638 BindingDB Entry DOI: 10.7270/Q25142HK
					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD-dependent protein deacetylase (Schistosoma mansoni)	BDBM50505507 (CHEMBL4461910) Show SMILES COc1cc(OC)cc(Sc2ccc(cc2)C(C)N(C)c2ncc3c(N)nc(N)nc3n2)c1 Show InChI InChI=1S/C23H25N7O2S/c1-13(30(2)23-26-12-19-20(24)27-22(25)28-21(19)29-23)14-5-7-17(8-6-14)33-18-10-15(31-3)9-16(11-18)32-4/h5-13H,1-4H3,(H4,24,25,26,27,28,29)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of recombinant Schistosoma mansoni sirtuin 2 (21 to 322 residues) expressed in Escherichia coli BL21(DE3) cells using ZMAL as substrate af...				J Med Chem 62: 8733-8759 (2019) Article DOI: 10.1021/acs.jmedchem.9b00638 BindingDB Entry DOI: 10.7270/Q25142HK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50346863 (CHEMBL1797640 | US8765820, 5b) Show SMILES NC1CC1c1ccc(NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C16H16N2O/c17-15-10-14(15)11-6-8-13(9-7-11)18-16(19)12-4-2-1-3-5-12/h1-9,14-15H,10,17H2,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Roma Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB expressed in Pichia pastoris incubated for 15 mins prior to substrate addition measured after 30 mins by lumines...				Eur J Med Chem 94: 163-74 (2015) Article DOI: 10.1016/j.ejmech.2015.02.060 BindingDB Entry DOI: 10.7270/Q2JQ12QF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50078898 (CHEMBL3416429) Show SMILES Cl.N[C@@H]1C[C@H]1c1cccc(NC(=O)c2ccccc2)c1 |r| Show InChI InChI=1S/C16H16N2O/c17-15-10-14(15)12-7-4-8-13(9-12)18-16(19)11-5-2-1-3-6-11/h1-9,14-15H,10,17H2,(H,18,19)/t14-,15+/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	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Roma Curated by ChEMBL					Assay Description Inhibition of human recombinant LSD1 expressed in Escherichia coli using methylated H3K4peptide as substrate incubated for 15 mins prior to substrate...				Eur J Med Chem 94: 163-74 (2015) Article DOI: 10.1016/j.ejmech.2015.02.060 BindingDB Entry DOI: 10.7270/Q2JQ12QF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50078897 (CHEMBL3416428) Show SMILES Cl.N[C@H]1C[C@@H]1c1cccc(NC(=O)c2ccccc2)c1 |r| Show InChI InChI=1S/C16H16N2O/c17-15-10-14(15)12-7-4-8-13(9-12)18-16(19)11-5-2-1-3-6-11/h1-9,14-15H,10,17H2,(H,18,19)/t14-,15+/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	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Roma Curated by ChEMBL					Assay Description Inhibition of human recombinant LSD1 expressed in Escherichia coli using methylated H3K4peptide as substrate incubated for 15 mins prior to substrate...				Eur J Med Chem 94: 163-74 (2015) Article DOI: 10.1016/j.ejmech.2015.02.060 BindingDB Entry DOI: 10.7270/Q2JQ12QF
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50078895 (CHEMBL3416426) Show SMILES Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C16H16N2O/c17-15-10-14(15)11-6-8-13(9-7-11)18-16(19)12-4-2-1-3-5-12/h1-9,14-15H,10,17H2,(H,18,19)/t14-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Roma Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB expressed in Pichia pastoris incubated for 15 mins prior to substrate addition measured after 30 mins by lumines...				Eur J Med Chem 94: 163-74 (2015) Article DOI: 10.1016/j.ejmech.2015.02.060 BindingDB Entry DOI: 10.7270/Q2JQ12QF
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase (Schistosoma mansoni)	BDBM50505503 (CHEMBL4577629) Show SMILES COc1cc(OC)cc(Oc2ccc(cc2)C(C)N(C)c2ncc3c(N)nc(N)nc3n2)c1 Show InChI InChI=1S/C23H25N7O3/c1-13(30(2)23-26-12-19-20(24)27-22(25)28-21(19)29-23)14-5-7-15(8-6-14)33-18-10-16(31-3)9-17(11-18)32-4/h5-13H,1-4H3,(H4,24,25,26,27,28,29)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of recombinant Schistosoma mansoni sirtuin 2 (21 to 322 residues) expressed in Escherichia coli BL21(DE3) cells using ZMAL as substrate af...				J Med Chem 62: 8733-8759 (2019) Article DOI: 10.1021/acs.jmedchem.9b00638 BindingDB Entry DOI: 10.7270/Q25142HK
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase (Schistosoma mansoni)	BDBM50505508 (CHEMBL4459211) Show SMILES CCC(N(C)c1ncc2c(N)nc(N)nc2n1)c1ccc(Oc2ccc(OC)cc2)cc1 Show InChI InChI=1S/C23H25N7O2/c1-4-19(30(2)23-26-13-18-20(24)27-22(25)28-21(18)29-23)14-5-7-16(8-6-14)32-17-11-9-15(31-3)10-12-17/h5-13,19H,4H2,1-3H3,(H4,24,25,26,27,28,29)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of recombinant Schistosoma mansoni sirtuin 2 (21 to 322 residues) expressed in Escherichia coli BL21(DE3) cells using ZMAL as substrate af...				J Med Chem 62: 8733-8759 (2019) Article DOI: 10.1021/acs.jmedchem.9b00638 BindingDB Entry DOI: 10.7270/Q25142HK
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50505504 (CHEMBL4567519) Show SMILES COc1cc(OC)cc(Oc2ccc(cc2)C(N(C)c2ncc3c(N)nc(N)nc3n2)c2ccccc2)c1 Show InChI InChI=1S/C28H27N7O3/c1-35(28-31-16-23-25(29)32-27(30)33-26(23)34-28)24(17-7-5-4-6-8-17)18-9-11-19(12-10-18)38-22-14-20(36-2)13-21(15-22)37-3/h4-16,24H,1-3H3,(H4,29,30,31,32,33,34)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal His6 tagged human sirtuin 2 (25 to 389 residues) assessed as inhibition of substrate demyristoylation using (Z)-(Myr)-Lys-AM...				J Med Chem 62: 8733-8759 (2019) Article DOI: 10.1021/acs.jmedchem.9b00638 BindingDB Entry DOI: 10.7270/Q25142HK
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50505510 (CHEMBL4526249) Show SMILES COc1ccc(Sc2ccc(cc2)C(C)N(C)c2ncc3c(N)nc(N)nc3n2)cc1 Show InChI InChI=1S/C22H23N7OS/c1-13(29(2)22-25-12-18-19(23)26-21(24)27-20(18)28-22)14-4-8-16(9-5-14)31-17-10-6-15(30-3)7-11-17/h4-13H,1-3H3,(H4,23,24,25,26,27,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal His6 tagged human sirtuin 2 (25 to 389 residues) using Cbz-Lys(acetyl)-AMC as substrate after 4 hrs in presence of NAD+ by h...				J Med Chem 62: 8733-8759 (2019) Article DOI: 10.1021/acs.jmedchem.9b00638 BindingDB Entry DOI: 10.7270/Q25142HK
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50240772 ((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...) Show SMILES N[C@@H]1C[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Roma Curated by ChEMBL					Assay Description Inhibition of human recombinant LSD1 expressed in Escherichia coli using methylated H3K4peptide as substrate incubated for 15 mins prior to substrate...				Eur J Med Chem 94: 163-74 (2015) Article DOI: 10.1016/j.ejmech.2015.02.060 BindingDB Entry DOI: 10.7270/Q2JQ12QF
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase (Schistosoma mansoni)	BDBM50505506 (CHEMBL3431191) Show SMILES CC(=O)Nc1ccc(cc1)-c1noc(CC2CCCN(Cc3cccc(F)c3C)C2)n1 Show InChI InChI=1S/C24H27FN4O2/c1-16-20(6-3-7-22(16)25)15-29-12-4-5-18(14-29)13-23-27-24(28-31-23)19-8-10-21(11-9-19)26-17(2)30/h3,6-11,18H,4-5,12-15H2,1-2H3,(H,26,30)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of recombinant Schistosoma mansoni sirtuin 2 (21 to 322 residues) expressed in Escherichia coli BL21(DE3) cells using ZMAL as substrate af...				J Med Chem 62: 8733-8759 (2019) Article DOI: 10.1021/acs.jmedchem.9b00638 BindingDB Entry DOI: 10.7270/Q25142HK
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase (Schistosoma mansoni)	BDBM50505510 (CHEMBL4526249) Show SMILES COc1ccc(Sc2ccc(cc2)C(C)N(C)c2ncc3c(N)nc(N)nc3n2)cc1 Show InChI InChI=1S/C22H23N7OS/c1-13(29(2)22-25-12-18-19(23)26-21(24)27-20(18)28-22)14-4-8-16(9-5-14)31-17-10-6-15(30-3)7-11-17/h4-13H,1-3H3,(H4,23,24,25,26,27,28)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of recombinant Schistosoma mansoni sirtuin 2 (21 to 322 residues) expressed in Escherichia coli BL21(DE3) cells using ZMAL as substrate af...				J Med Chem 62: 8733-8759 (2019) Article DOI: 10.1021/acs.jmedchem.9b00638 BindingDB Entry DOI: 10.7270/Q25142HK
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50505498 (CHEBI:31687 | Idebenone | Raxone) Show SMILES COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O |c:2,t:19| Show InChI InChI=1S/C19H30O5/c1-14-15(12-10-8-6-4-5-7-9-11-13-20)17(22)19(24-3)18(23-2)16(14)21/h20H,4-13H2,1-3H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal His6 tagged human sirtuin 2 (25 to 389 residues) using Cbz-Lys(acetyl)-AMC as substrate after 4 hrs in presence of NAD+ by h...				J Med Chem 62: 8733-8759 (2019) Article DOI: 10.1021/acs.jmedchem.9b00638 BindingDB Entry DOI: 10.7270/Q25142HK
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50505497 (CHEMBL4444104) Show SMILES COc1cc(OC)cc(Sc2ccc(cc2)C(N(C)c2ncc3c(N)nc(N)nc3n2)c2ccccc2)c1 Show InChI InChI=1S/C28H27N7O2S/c1-35(28-31-16-23-25(29)32-27(30)33-26(23)34-28)24(17-7-5-4-6-8-17)18-9-11-21(12-10-18)38-22-14-19(36-2)13-20(15-22)37-3/h4-16,24H,1-3H3,(H4,29,30,31,32,33,34)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal His6 tagged human sirtuin 2 (25 to 389 residues) assessed as inhibition of substrate demyristoylation using (Z)-(Myr)-Lys-AM...				J Med Chem 62: 8733-8759 (2019) Article DOI: 10.1021/acs.jmedchem.9b00638 BindingDB Entry DOI: 10.7270/Q25142HK
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase (Schistosoma mansoni)	BDBM50505496 (CHEMBL3431127) Show SMILES COc1ccc(Oc2ccc(cc2)C(C)N(C)c2ncc3c(N)nc(N)nc3n2)cc1 Show InChI InChI=1S/C22H23N7O2/c1-13(29(2)22-25-12-18-19(23)26-21(24)27-20(18)28-22)14-4-6-16(7-5-14)31-17-10-8-15(30-3)9-11-17/h4-13H,1-3H3,(H4,23,24,25,26,27,28)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of recombinant Schistosoma mansoni sirtuin 2 (21 to 322 residues) expressed in Escherichia coli BL21(DE3) cells assessed as inhibition of ...				J Med Chem 62: 8733-8759 (2019) Article DOI: 10.1021/acs.jmedchem.9b00638 BindingDB Entry DOI: 10.7270/Q25142HK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50078896 (CHEMBL3416427) Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C16H16N2O/c17-15-10-14(15)11-6-8-13(9-7-11)18-16(19)12-4-2-1-3-5-12/h1-9,14-15H,10,17H2,(H,18,19)/t14-,15+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Roma Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB expressed in Pichia pastoris incubated for 15 mins prior to substrate addition measured after 30 mins by lumines...				Eur J Med Chem 94: 163-74 (2015) Article DOI: 10.1016/j.ejmech.2015.02.060 BindingDB Entry DOI: 10.7270/Q2JQ12QF
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase (Schistosoma mansoni)	BDBM50505499 (CHEMBL3430999) Show SMILES Clc1ccc2[nH]c(cc2c1)C(=O)N1CCCCC1c1cccnc1 Show InChI InChI=1S/C19H18ClN3O/c20-15-6-7-16-14(10-15)11-17(22-16)19(24)23-9-2-1-5-18(23)13-4-3-8-21-12-13/h3-4,6-8,10-12,18,22H,1-2,5,9H2	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of recombinant Schistosoma mansoni sirtuin 2 (21 to 322 residues) expressed in Escherichia coli BL21(DE3) cells using ZMAL as substrate af...				J Med Chem 62: 8733-8759 (2019) Article DOI: 10.1021/acs.jmedchem.9b00638 BindingDB Entry DOI: 10.7270/Q25142HK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50078894 (CHEMBL3416431) Show SMILES Cl.N[C@@H]1C[C@@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C16H16N2O/c17-15-10-14(15)11-6-8-13(9-7-11)18-16(19)12-4-2-1-3-5-12/h1-9,14-15H,10,17H2,(H,18,19)/t14-,15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Roma Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB expressed in Pichia pastoris incubated for 15 mins prior to substrate addition measured after 30 mins by lumines...				Eur J Med Chem 94: 163-74 (2015) Article DOI: 10.1016/j.ejmech.2015.02.060 BindingDB Entry DOI: 10.7270/Q2JQ12QF
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50078893 (CHEMBL3416432) Show SMILES Cl.N[C@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C16H16N2O/c17-15-10-14(15)11-6-8-13(9-7-11)18-16(19)12-4-2-1-3-5-12/h1-9,14-15H,10,17H2,(H,18,19)/t14-,15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Roma Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB expressed in Pichia pastoris incubated for 15 mins prior to substrate addition measured after 30 mins by lumines...				Eur J Med Chem 94: 163-74 (2015) Article DOI: 10.1016/j.ejmech.2015.02.060 BindingDB Entry DOI: 10.7270/Q2JQ12QF
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50505497 (CHEMBL4444104) Show SMILES COc1cc(OC)cc(Sc2ccc(cc2)C(N(C)c2ncc3c(N)nc(N)nc3n2)c2ccccc2)c1 Show InChI InChI=1S/C28H27N7O2S/c1-35(28-31-16-23-25(29)32-27(30)33-26(23)34-28)24(17-7-5-4-6-8-17)18-9-11-21(12-10-18)38-22-14-19(36-2)13-20(15-22)37-3/h4-16,24H,1-3H3,(H4,29,30,31,32,33,34)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal His6 tagged human sirtuin 2 (25 to 389 residues) using Cbz-Lys(acetyl)-AMC as substrate after 4 hrs in presence of NAD+ by h...				J Med Chem 62: 8733-8759 (2019) Article DOI: 10.1021/acs.jmedchem.9b00638 BindingDB Entry DOI: 10.7270/Q25142HK
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase (Schistosoma mansoni)	BDBM50505511 (CHEMBL4529336) Show SMILES COc1cccc(Oc2ccc(cc2)C(C)N(C)c2ncc3c(N)nc(N)nc3n2)c1 Show InChI InChI=1S/C22H23N7O2/c1-13(29(2)22-25-12-18-19(23)26-21(24)27-20(18)28-22)14-7-9-15(10-8-14)31-17-6-4-5-16(11-17)30-3/h4-13H,1-3H3,(H4,23,24,25,26,27,28)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of recombinant Schistosoma mansoni sirtuin 2 (21 to 322 residues) expressed in Escherichia coli BL21(DE3) cells using ZMAL as substrate af...				J Med Chem 62: 8733-8759 (2019) Article DOI: 10.1021/acs.jmedchem.9b00638 BindingDB Entry DOI: 10.7270/Q25142HK
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase (Schistosoma mansoni)	BDBM27507 (3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...) Show SMILES NC(=O)c1cccnc1 Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of recombinant Schistosoma mansoni sirtuin 2 (21 to 322 residues) expressed in Escherichia coli BL21(DE3) cells assessed as inhibition of ...				J Med Chem 62: 8733-8759 (2019) Article DOI: 10.1021/acs.jmedchem.9b00638 BindingDB Entry DOI: 10.7270/Q25142HK
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase (Schistosoma mansoni)	BDBM50505496 (CHEMBL3431127) Show SMILES COc1ccc(Oc2ccc(cc2)C(C)N(C)c2ncc3c(N)nc(N)nc3n2)cc1 Show InChI InChI=1S/C22H23N7O2/c1-13(29(2)22-25-12-18-19(23)26-21(24)27-20(18)28-22)14-4-6-16(7-5-14)31-17-10-8-15(30-3)9-11-17/h4-13H,1-3H3,(H4,23,24,25,26,27,28)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of recombinant Schistosoma mansoni sirtuin 2 (21 to 322 residues) expressed in Escherichia coli BL21(DE3) cells using ZMAL as substrate af...				J Med Chem 62: 8733-8759 (2019) Article DOI: 10.1021/acs.jmedchem.9b00638 BindingDB Entry DOI: 10.7270/Q25142HK
					More data for this Ligand-Target Pair

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