Compile Data Set for Download or QSAR

Found 286 hits with Last Name = 'nurisso' and Initial = 'a'   

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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50093085 (CHEMBL3586582) Show SMILES CN(CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1 Show InChI InChI=1S/C25H31NO3/c1-19-20(2)25(27)29-24-17-22(13-14-23(19)24)28-16-10-5-4-9-15-26(3)18-21-11-7-6-8-12-21/h6-8,11-14,17H,4-5,9-10,15-16,18H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Mixed type inhibition of electric eel AChE by Lineweaver-Burk plot				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50093227 (CHEMBL3586608) Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1 Show InChI InChI=1S/C17H13NO/c1-11-15-4-2-3-13-7-10-16(18(13)15)17(11)12-5-8-14(19)9-6-12/h2-10,19H,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Mixed type inhibition of electric eel AChE by Lineweaver-Burk plot				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50193013 (Duvelisib | INK-1147 | INK-1197 | IPI-145) Show SMILES C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H17ClN6O/c1-13(28-21-19-20(25-11-24-19)26-12-27-21)17-10-14-6-5-9-16(23)18(14)22(30)29(17)15-7-3-2-4-8-15/h2-13H,1H3,(H2,24,25,26,27,28)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
INSERM 1052/CNRS 5286/University of Lyon Curated by ChEMBL					Assay Description Inhibition of PI3KCdelta/PIK3R1 (unknown origin)				Eur J Med Chem 158: 405-413 (2018) Article DOI: 10.1016/j.ejmech.2018.09.033 BindingDB Entry DOI: 10.7270/Q2KS6V81
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM15581 (CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...) Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A using kynuramine substrate by spectrophotometric assay				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50093335 (CHEMBL3586611) Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1ccc(cc1)C#N Show InChI InChI=1S/C27H24N2O4.ClH/c1-29(15-20-4-2-19(14-28)3-5-20)16-21-6-8-22(9-7-21)18-32-24-10-11-25-23(17-30)12-27(31)33-26(25)13-24;/h2-13,30H,15-18H2,1H3;1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Geneva Curated by ChEMBL					Assay Description Inhibition of HDAC1/HDAC2/HDAC3 in human HeLa nuclear extracts using MAL as substrate after 4 hrs by UHPLC-ESI-MS/MS analysis				Bioorg Med Chem Lett 26: 4955-4959 (2016) Article DOI: 10.1016/j.bmcl.2016.09.011 BindingDB Entry DOI: 10.7270/Q2DZ0B78
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Geneva Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) after 15 mins by fluorescence assay				Bioorg Med Chem Lett 24: 5497-501 (2015) Article DOI: 10.1016/j.bmcl.2014.10.019 BindingDB Entry DOI: 10.7270/Q2X3502T
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Geneva Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell extract after 15 mins by fluorescence assay				Bioorg Med Chem Lett 24: 5497-501 (2015) Article DOI: 10.1016/j.bmcl.2014.10.019 BindingDB Entry DOI: 10.7270/Q2X3502T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Geneva Curated by ChEMBL					Assay Description Inhibition of HDAC6 in human SHSY5Y cells using BATCP as substrate after 8 hrs by UHPLC-ESI-MS/MS analysis				Bioorg Med Chem Lett 26: 4955-4959 (2016) Article DOI: 10.1016/j.bmcl.2016.09.011 BindingDB Entry DOI: 10.7270/Q2DZ0B78
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Geneva Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) after 15 mins by fluorescence assay				Bioorg Med Chem Lett 24: 5497-501 (2015) Article DOI: 10.1016/j.bmcl.2014.10.019 BindingDB Entry DOI: 10.7270/Q2X3502T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50093227 (CHEMBL3586608) Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1 Show InChI InChI=1S/C17H13NO/c1-11-15-4-2-3-13-7-10-16(18(13)15)17(11)12-5-8-14(19)9-6-12/h2-10,19H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50193013 (Duvelisib | INK-1147 | INK-1197 | IPI-145) Show SMILES C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H17ClN6O/c1-13(28-21-19-20(25-11-24-19)26-12-27-21)17-10-14-6-5-9-16(23)18(14)22(30)29(17)15-7-3-2-4-8-15/h2-13H,1H3,(H2,24,25,26,27,28)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
INSERM 1052/CNRS 5286/University of Lyon Curated by ChEMBL					Assay Description Inhibition of PI3KCgamma (unknown origin)				Eur J Med Chem 158: 405-413 (2018) Article DOI: 10.1016/j.ejmech.2018.09.033 BindingDB Entry DOI: 10.7270/Q2KS6V81
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by spectrophotometric Ellman's method				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Geneva Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using MOCPAC as substrate after 4 hrs by UHPLC-ES...				Bioorg Med Chem Lett 26: 4955-4959 (2016) Article DOI: 10.1016/j.bmcl.2016.09.011 BindingDB Entry DOI: 10.7270/Q2DZ0B78
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Geneva Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 expressed in baculovirus infected insect cells using BATCP as substrate after 4 hrs by UHPLC-ESI-MS/MS analysis				Bioorg Med Chem Lett 26: 4955-4959 (2016) Article DOI: 10.1016/j.bmcl.2016.09.011 BindingDB Entry DOI: 10.7270/Q2DZ0B78
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50403068 (CHEMBL2216870 | IDELALISIB | US9745321, CAL-101) Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
INSERM 1052/CNRS 5286/University of Lyon Curated by ChEMBL					Assay Description Inhibition of PI3KCdelta/PIK3R1 (unknown origin)				Eur J Med Chem 158: 405-413 (2018) Article DOI: 10.1016/j.ejmech.2018.09.033 BindingDB Entry DOI: 10.7270/Q2KS6V81
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50093329 (CHEMBL3586603) Show SMILES Cl.CN(Cc1ccc(COc2ccc3cc(C)c(=O)oc3c2)cc1)Cc1ccc(cc1)C#N Show InChI InChI=1S/C27H24N2O3.ClH/c1-19-13-24-11-12-25(14-26(24)32-27(19)30)31-18-23-9-7-22(8-10-23)17-29(2)16-21-5-3-20(15-28)4-6-21;/h3-14H,16-18H2,1-2H3;1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50093237 (CHEMBL3586583) Show SMILES Cl.CCN(CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1 Show InChI InChI=1S/C26H33NO3.ClH/c1-4-27(19-22-12-8-7-9-13-22)16-10-5-6-11-17-29-23-14-15-24-20(2)21(3)26(28)30-25(24)18-23;/h7-9,12-15,18H,4-6,10-11,16-17,19H2,1-3H3;1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Geneva Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human SHSY5Y cells using MOCPAC as substrate after 8 hrs by UHPLC-ESI-MS/MS analysis				Bioorg Med Chem Lett 26: 4955-4959 (2016) Article DOI: 10.1016/j.bmcl.2016.09.011 BindingDB Entry DOI: 10.7270/Q2DZ0B78
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50093332 (CHEMBL3586605) Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1)Cc1ccc(cc1)C#N Show InChI InChI=1S/C28H26N2O3.ClH/c1-19-20(2)28(31)33-27-14-25(12-13-26(19)27)32-18-24-10-8-23(9-11-24)17-30(3)16-22-6-4-21(15-29)5-7-22;/h4-14H,16-18H2,1-3H3;1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50093233 (CHEMBL3586610) Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1cccc(Cl)c1 Show InChI InChI=1S/C18H15NO2/c1-2-15-17-10-14(21)9-12-5-8-16(19(12)17)18(15)11-3-6-13(20)7-4-11/h3-10,20-21H,2H2,1H3	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
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
University of Geneva Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) after 15 mins by fluorescence assay				Bioorg Med Chem Lett 24: 5497-501 (2015) Article DOI: 10.1016/j.bmcl.2014.10.019 BindingDB Entry DOI: 10.7270/Q2X3502T
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50093084 (CHEMBL3586577) Show SMILES Cl.Cc1c(C)c(=O)oc2cc(OCCCCCNCc3ccccc3)ccc12 Show InChI InChI=1S/C23H27NO3.ClH/c1-17-18(2)23(25)27-22-15-20(11-12-21(17)22)26-14-8-4-7-13-24-16-19-9-5-3-6-10-19;/h3,5-6,9-12,15,24H,4,7-8,13-14,16H2,1-2H3;1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in sf9 cells using RHK-K(Ac)-AMC as substrate ...				Eur J Med Chem 112: 99-105 (2016) Article DOI: 10.1016/j.ejmech.2016.02.001 BindingDB Entry DOI: 10.7270/Q2HM5BB0
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal GST-tagged HDAC7 (518 to 991 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrate incubate...				Eur J Med Chem 112: 99-105 (2016) Article DOI: 10.1016/j.ejmech.2016.02.001 BindingDB Entry DOI: 10.7270/Q2HM5BB0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380399 (CHEMBL2018302 | Tubastatin A | US10227295, Compoun...) Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
University of Geneva Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 expressed in baculovirus infected insect cells using BATCP as substrate after 4 hrs by UHPLC-ESI-MS/MS analysis				Bioorg Med Chem Lett 26: 4955-4959 (2016) Article DOI: 10.1016/j.bmcl.2016.09.011 BindingDB Entry DOI: 10.7270/Q2DZ0B78
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50093335 (CHEMBL3586611) Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1ccc(cc1)C#N Show InChI InChI=1S/C27H24N2O4.ClH/c1-29(15-20-4-2-19(14-28)3-5-20)16-21-6-8-22(9-7-21)18-32-24-10-11-25-23(17-30)12-27(31)33-26(25)13-24;/h2-13,30H,15-18H2,1H3;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50197083 (CHEMBL3890846) Show SMILES ONC(=O)CCCCCc1ccc2OCOc2c1 Show InChI InChI=1S/C13H17NO4/c15-13(14-16)5-3-1-2-4-10-6-7-11-12(8-10)18-9-17-11/h6-8,16H,1-5,9H2,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
University of Geneva Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 expressed in baculovirus infected insect cells using BATCP as substrate after 4 hrs by UHPLC-ESI-MS/MS analysis				Bioorg Med Chem Lett 26: 4955-4959 (2016) Article DOI: 10.1016/j.bmcl.2016.09.011 BindingDB Entry DOI: 10.7270/Q2DZ0B78
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50093330 (CHEMBL3586604) Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1)Cc1ccc(cc1)C#N Show InChI InChI=1S/C27H24N2O3.ClH/c1-19-13-27(30)32-26-14-24(11-12-25(19)26)31-18-23-9-7-22(8-10-23)17-29(2)16-21-5-3-20(15-28)4-6-21;/h3-14H,16-18H2,1-2H3;1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50093212 (CHEMBL3586592) Show SMILES CN(Cc1ccccc1)Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1 Show InChI InChI=1S/C28H42N4O4/c33-25-13-10-24(22-26(25)34)12-15-28(36)32-21-7-19-30-17-5-4-16-29-18-6-20-31-27(35)14-11-23-8-2-1-3-9-23/h1-3,8-10,13,22,29-30,33-34H,4-7,11-12,14-21H2,(H,31,35)(H,32,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50093230 (CHEMBL3586602) Show SMILES Cl.CN(Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1)Cc1ccc(cc1)C#N Show InChI InChI=1S/C18H15NO/c1-2-15-16-8-4-6-13-9-10-17(19(13)16)18(15)12-5-3-7-14(20)11-12/h3-11,20H,2H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50193013 (Duvelisib | INK-1147 | INK-1197 | IPI-145) Show SMILES C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H17ClN6O/c1-13(28-21-19-20(25-11-24-19)26-12-27-21)17-10-14-6-5-9-16(23)18(14)22(30)29(17)15-7-3-2-4-8-15/h2-13H,1H3,(H2,24,25,26,27,28)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
INSERM 1052/CNRS 5286/University of Lyon Curated by ChEMBL					Assay Description Inhibition of PI3KCbeta/PIK3R1 (unknown origin)				Eur J Med Chem 158: 405-413 (2018) Article DOI: 10.1016/j.ejmech.2018.09.033 BindingDB Entry DOI: 10.7270/Q2KS6V81
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Geneva Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) by fluorimetric assay				Bioorg Med Chem Lett 26: 154-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.011 BindingDB Entry DOI: 10.7270/Q2BK1GCP
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50093238 (CHEMBL3586595) Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1 Show InChI InChI=1S/C27H27NO3.ClH/c1-19-20(2)27(29)31-26-15-24(13-14-25(19)26)30-18-23-11-9-22(10-12-23)17-28(3)16-21-7-5-4-6-8-21;/h4-15H,16-18H2,1-3H3;1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin)				Bioorg Med Chem Lett 25: 4457-60 (2015) Article DOI: 10.1016/j.bmcl.2015.09.006 BindingDB Entry DOI: 10.7270/Q2BG2QTR
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380399 (CHEMBL2018302 | Tubastatin A | US10227295, Compoun...) Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
University of Geneva Curated by ChEMBL					Assay Description Inhibition of HDAC6 in human SHSY5Y cells using BATCP as substrate after 8 hrs by UHPLC-ESI-MS/MS analysis				Bioorg Med Chem Lett 26: 4955-4959 (2016) Article DOI: 10.1016/j.bmcl.2016.09.011 BindingDB Entry DOI: 10.7270/Q2DZ0B78
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50093085 (CHEMBL3586582) Show SMILES CN(CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1 Show InChI InChI=1S/C25H31NO3/c1-19-20(2)25(27)29-24-17-22(13-14-23(19)24)28-16-10-5-4-9-15-26(3)18-21-11-7-6-8-12-21/h6-8,11-14,17H,4-5,9-10,15-16,18H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by spectrophotometric Ellman's method				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50093236 (CHEMBL3586576) Show SMILES CN(CCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1 Show InChI InChI=1S/C16H11NO/c18-14-7-4-11(5-8-14)15-10-13-3-1-2-12-6-9-16(15)17(12)13/h1-10,18H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 using Fluor de Lys Green as substrate incubated for 30 mins by fluorescence assay				Eur J Med Chem 112: 99-105 (2016) Article DOI: 10.1016/j.ejmech.2016.02.001 BindingDB Entry DOI: 10.7270/Q2HM5BB0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50093238 (CHEMBL3586595) Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1 Show InChI InChI=1S/C27H27NO3.ClH/c1-19-20(2)27(29)31-26-15-24(13-14-25(19)26)30-18-23-11-9-22(10-12-23)17-28(3)16-21-7-5-4-6-8-21;/h4-15H,16-18H2,1-3H3;1H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by spectrophotometric Ellman's method				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50093237 (CHEMBL3586583) Show SMILES Cl.CCN(CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1 Show InChI InChI=1S/C26H33NO3.ClH/c1-4-27(19-22-12-8-7-9-13-22)16-10-5-6-11-17-29-23-14-15-24-20(2)21(3)26(28)30-25(24)18-23;/h7-9,12-15,18H,4-6,10-11,16-17,19H2,1-3H3;1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A using kynuramine substrate by spectrophotometric assay				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50093326 (CHEMBL3586600) Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1)Cc1cccc(Cl)c1 Show InChI InChI=1S/C26H24ClNO3.ClH/c1-18-12-26(29)31-25-14-23(10-11-24(18)25)30-17-20-8-6-19(7-9-20)15-28(2)16-21-4-3-5-22(27)13-21;/h3-14H,15-17H2,1-2H3;1H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by spectrophotometric Ellman's method				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Bioorg Med Chem Lett 25: 4457-60 (2015) Article DOI: 10.1016/j.bmcl.2015.09.006 BindingDB Entry DOI: 10.7270/Q2BG2QTR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50093227 (CHEMBL3586608) Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1 Show InChI InChI=1S/C17H13NO/c1-11-15-4-2-3-13-7-10-16(18(13)15)17(11)12-5-8-14(19)9-6-12/h2-10,19H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by spectrophotometric Ellman's method				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50172756 (Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...) Show SMILES CN(CC#C)Cc1ccccc1 Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50093240 (CHEMBL3586574) Show SMILES Cl.CN(CCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1 Show InChI InChI=1S/C18H15NO/c1-2-15-17-11-14(20)10-13-8-9-16(19(13)17)18(15)12-6-4-3-5-7-12/h3-11,20H,2H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
University of Geneva Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) by fluorimetric assay				Bioorg Med Chem Lett 26: 154-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.011 BindingDB Entry DOI: 10.7270/Q2BK1GCP
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description Inhibition of human HDAC2 after 40 mins by fluorescence analysis				Bioorg Med Chem Lett 25: 4457-60 (2015) Article DOI: 10.1016/j.bmcl.2015.09.006 BindingDB Entry DOI: 10.7270/Q2BG2QTR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50197083 (CHEMBL3890846) Show SMILES ONC(=O)CCCCCc1ccc2OCOc2c1 Show InChI InChI=1S/C13H17NO4/c15-13(14-16)5-3-1-2-4-10-6-7-11-12(8-10)18-9-17-11/h6-8,16H,1-5,9H2,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	164	n/a	n/a	n/a	n/a	n/a	n/a
University of Geneva Curated by ChEMBL					Assay Description Inhibition of HDAC6 in human SHSY5Y cells using BATCP as substrate after 8 hrs by UHPLC-ESI-MS/MS analysis				Bioorg Med Chem Lett 26: 4955-4959 (2016) Article DOI: 10.1016/j.bmcl.2016.09.011 BindingDB Entry DOI: 10.7270/Q2DZ0B78
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50093322 (CHEMBL3586594) Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 Show InChI InChI=1S/C26H25NO3.ClH/c1-19-14-26(28)30-25-15-23(12-13-24(19)25)29-18-22-10-8-21(9-11-22)17-27(2)16-20-6-4-3-5-7-20;/h3-15H,16-18H2,1-2H3;1H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by spectrophotometric Ellman's method				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair

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