Compile Data Set for Download or QSAR

Found 344 hits with Last Name = 'cappa' 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
Lysine-specific histone demethylase 1A/REST corepressor 1 (Homo sapiens (Human))	BDBM50236453 (CHEMBL4068323) Show SMILES CN1CCC(CC1)Oc1ccc(OCc2ccccc2NC(=O)c2cc3sccc3n2C)cc1 Show InChI InChI=1S/C27H29N3O3S/c1-29-14-11-22(12-15-29)33-21-9-7-20(8-10-21)32-18-19-5-3-4-6-23(19)28-27(31)25-17-26-24(30(25)2)13-16-34-26/h3-10,13,16-17,22H,11-12,14-15,18H2,1-2H3,(H,28,31)	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibitory activity against beta-glucosidase of sweet almond				J Med Chem 60: 1693-1715 (2017) Article DOI: 10.1021/acs.jmedchem.6b01019 BindingDB Entry DOI: 10.7270/Q22809VX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific histone demethylase 1A/REST corepressor 1 (Homo sapiens (Human))	BDBM50236360 (CHEMBL4066708) Show SMILES COCc1cccc(NC(=O)c2cc3sccc3n2C)c1 Show InChI InChI=1S/C16H16N2O2S/c1-18-13-6-7-21-15(13)9-14(18)16(19)17-12-5-3-4-11(8-12)10-20-2/h3-9H,10H2,1-2H3,(H,17,19)	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Non-competitive inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using H3K4me1 peptide as substrate preincubated fo...				J Med Chem 60: 1673-1692 (2017) Article DOI: 10.1021/acs.jmedchem.6b01018 BindingDB Entry DOI: 10.7270/Q26112KN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific histone demethylase 1A/REST corepressor 1 (Homo sapiens (Human))	BDBM50236359 (CHEMBL4086085) Show SMILES CC(=O)c1ccc(CN2CCC3(C2)CCNCC3)cc1 Show InChI InChI=1S/C17H24N2O/c1-14(20)16-4-2-15(3-5-16)12-19-11-8-17(13-19)6-9-18-10-7-17/h2-5,18H,6-13H2,1H3	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.84E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using H3K4me1 peptide as substrate preincubated for 15...				J Med Chem 60: 1673-1692 (2017) Article DOI: 10.1021/acs.jmedchem.6b01018 BindingDB Entry DOI: 10.7270/Q26112KN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50540648 (CHEMBL4639944) Show SMILES Cn1c(cc2sccc12)-c1nc(cn1CCCc1ccc(OC2CCNCC2)cc1)C1CCC1 Show InChI InChI=1S/C28H34N4OS/c1-31-25-13-17-34-27(25)18-26(31)28-30-24(21-5-2-6-21)19-32(28)16-3-4-20-7-9-22(10-8-20)33-23-11-14-29-15-12-23/h7-10,13,17-19,21,23,29H,2-6,11-12,14-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology IRCCS Curated by ChEMBL					Assay Description Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay				ACS Med Chem Lett 11: 754-759 (2020) Article DOI: 10.1021/acsmedchemlett.9b00604 BindingDB Entry DOI: 10.7270/Q22J6GFN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50262988 (CHEMBL1200541 | N-(2-chlorobenzyl)-2-(2-(2-((2-chl...) Show SMILES CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl Show InChI InChI=1S/C28H40Cl2N4O2/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30/h9-16H,5-8,17-22H2,1-4H3/p+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Università di Bari Curated by ChEMBL					Assay Description Inhibition of bovine AChE by Ellman's method				Bioorg Med Chem 16: 7450-6 (2008) Article DOI: 10.1016/j.bmc.2008.06.022 BindingDB Entry DOI: 10.7270/Q2NC611F
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50540643 (CHEMBL4639941) Show SMILES CCCc1cn(CCCc2ccc(OC3CCCNCC3)cc2)c(n1)-c1cc2sccc2n1C Show InChI InChI=1S/C28H36N4OS/c1-3-6-22-20-32(28(30-22)26-19-27-25(31(26)2)14-18-34-27)17-5-7-21-9-11-24(12-10-21)33-23-8-4-15-29-16-13-23/h9-12,14,18-20,23,29H,3-8,13,15-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology IRCCS Curated by ChEMBL					Assay Description Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay				ACS Med Chem Lett 11: 754-759 (2020) Article DOI: 10.1021/acsmedchemlett.9b00604 BindingDB Entry DOI: 10.7270/Q22J6GFN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50540639 (CHEMBL4632810) Show SMILES CCCc1cn(CCOc2ccc(OC3CCCNCC3)cc2)c(n1)-c1cc2sccc2n1C Show InChI InChI=1S/C27H34N4O2S/c1-3-5-20-19-31(27(29-20)25-18-26-24(30(25)2)12-17-34-26)15-16-32-21-7-9-23(10-8-21)33-22-6-4-13-28-14-11-22/h7-10,12,17-19,22,28H,3-6,11,13-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology IRCCS Curated by ChEMBL					Assay Description Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay				ACS Med Chem Lett 11: 754-759 (2020) Article DOI: 10.1021/acsmedchemlett.9b00604 BindingDB Entry DOI: 10.7270/Q22J6GFN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50540640 (CHEMBL4641768) Show SMILES CCCc1cn(CCCc2ccc(OCC3CCNCC3)cc2)c(n1)-c1cc2sccc2n1C Show InChI InChI=1S/C28H36N4OS/c1-3-5-23-19-32(28(30-23)26-18-27-25(31(26)2)13-17-34-27)16-4-6-21-7-9-24(10-8-21)33-20-22-11-14-29-15-12-22/h7-10,13,17-19,22,29H,3-6,11-12,14-16,20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology IRCCS Curated by ChEMBL					Assay Description Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay				ACS Med Chem Lett 11: 754-759 (2020) Article DOI: 10.1021/acsmedchemlett.9b00604 BindingDB Entry DOI: 10.7270/Q22J6GFN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50540649 (CHEMBL4642214) Show SMILES Cn1c(cc2sccc12)-c1nc(cn1CCCc1ccc(OC2CCCNCC2)cc1)C1CCC1 Show InChI InChI=1S/C29H36N4OS/c1-32-26-14-18-35-28(26)19-27(32)29-31-25(22-6-2-7-22)20-33(29)17-4-5-21-9-11-24(12-10-21)34-23-8-3-15-30-16-13-23/h9-12,14,18-20,22-23,30H,2-8,13,15-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology IRCCS Curated by ChEMBL					Assay Description Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay				ACS Med Chem Lett 11: 754-759 (2020) Article DOI: 10.1021/acsmedchemlett.9b00604 BindingDB Entry DOI: 10.7270/Q22J6GFN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50540655 (CHEMBL4635889) Show SMILES CCc1cn(CCCc2ccc(OC3CCCNCC3)cc2)c(n1)-c1cc2sccc2n1C Show InChI InChI=1S/C27H34N4OS/c1-3-21-19-31(27(29-21)25-18-26-24(30(25)2)13-17-33-26)16-5-6-20-8-10-23(11-9-20)32-22-7-4-14-28-15-12-22/h8-11,13,17-19,22,28H,3-7,12,14-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology IRCCS Curated by ChEMBL					Assay Description Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay				ACS Med Chem Lett 11: 754-759 (2020) Article DOI: 10.1021/acsmedchemlett.9b00604 BindingDB Entry DOI: 10.7270/Q22J6GFN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50262879 (3-hydroxy-5-(4-(3-hydroxy-5-(trimethylammonio)phen...) Show SMILES C[N+](C)(C)c1cc(O)cc(OCCCCOc2cc(O)cc(c2)[N+](C)(C)C)c1 Show InChI InChI=1S/C22H32N2O4/c1-23(2,3)17-11-19(25)15-21(13-17)27-9-7-8-10-28-22-14-18(24(4,5)6)12-20(26)16-22/h11-16H,7-10H2,1-6H3/p+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Università di Bari Curated by ChEMBL					Assay Description Inhibition of bovine AChE by Ellman's method				Bioorg Med Chem 16: 7450-6 (2008) Article DOI: 10.1016/j.bmc.2008.06.022 BindingDB Entry DOI: 10.7270/Q2NC611F
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50540642 (CHEMBL4649085) Show SMILES CCCc1cn(CCCc2ccc(OC3CCNCC3)cc2)c(n1)-c1cc2sccc2n1C Show InChI InChI=1S/C27H34N4OS/c1-3-5-21-19-31(27(29-21)25-18-26-24(30(25)2)13-17-33-26)16-4-6-20-7-9-22(10-8-20)32-23-11-14-28-15-12-23/h7-10,13,17-19,23,28H,3-6,11-12,14-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology IRCCS Curated by ChEMBL					Assay Description Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay				ACS Med Chem Lett 11: 754-759 (2020) Article DOI: 10.1021/acsmedchemlett.9b00604 BindingDB Entry DOI: 10.7270/Q22J6GFN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50540644 (CHEMBL4639413) Show SMILES Cn1c(cc2sccc12)-c1nc(cn1CCOc1ccc(OC2CCNCC2)cc1)C1CCC1 Show InChI InChI=1S/C27H32N4O2S/c1-30-24-11-16-34-26(24)17-25(30)27-29-23(19-3-2-4-19)18-31(27)14-15-32-20-5-7-21(8-6-20)33-22-9-12-28-13-10-22/h5-8,11,16-19,22,28H,2-4,9-10,12-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology IRCCS Curated by ChEMBL					Assay Description Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay				ACS Med Chem Lett 11: 754-759 (2020) Article DOI: 10.1021/acsmedchemlett.9b00604 BindingDB Entry DOI: 10.7270/Q22J6GFN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50540638 (CHEMBL4649563) Show SMILES CCCc1cn(CCOc2ccc(OC3CCNCC3)cc2)c(n1)-c1cc2sccc2n1C Show InChI InChI=1S/C26H32N4O2S/c1-3-4-19-18-30(26(28-19)24-17-25-23(29(24)2)11-16-33-25)14-15-31-20-5-7-21(8-6-20)32-22-9-12-27-13-10-22/h5-8,11,16-18,22,27H,3-4,9-10,12-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology IRCCS Curated by ChEMBL					Assay Description Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay				ACS Med Chem Lett 11: 754-759 (2020) Article DOI: 10.1021/acsmedchemlett.9b00604 BindingDB Entry DOI: 10.7270/Q22J6GFN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50540645 (CHEMBL4645937) Show SMILES Cn1c(cc2sccc12)-c1nc(cn1CCOc1ccc(OC2CCCNCC2)cc1)C1CCC1 Show InChI InChI=1S/C28H34N4O2S/c1-31-25-12-17-35-27(25)18-26(31)28-30-24(20-4-2-5-20)19-32(28)15-16-33-21-7-9-23(10-8-21)34-22-6-3-13-29-14-11-22/h7-10,12,17-20,22,29H,2-6,11,13-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology IRCCS Curated by ChEMBL					Assay Description Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay				ACS Med Chem Lett 11: 754-759 (2020) Article DOI: 10.1021/acsmedchemlett.9b00604 BindingDB Entry DOI: 10.7270/Q22J6GFN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50540646 (CHEMBL4634153) Show SMILES Cn1c(cc2sccc12)-c1nc(cn1CCCc1ccc(OCC2CCNCC2)cc1)C1CCC1 Show InChI InChI=1S/C29H36N4OS/c1-32-26-13-17-35-28(26)18-27(32)29-31-25(23-5-2-6-23)19-33(29)16-3-4-21-7-9-24(10-8-21)34-20-22-11-14-30-15-12-22/h7-10,13,17-19,22-23,30H,2-6,11-12,14-16,20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology IRCCS Curated by ChEMBL					Assay Description Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay				ACS Med Chem Lett 11: 754-759 (2020) Article DOI: 10.1021/acsmedchemlett.9b00604 BindingDB Entry DOI: 10.7270/Q22J6GFN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50540654 (CHEMBL4642738) Show SMILES CCc1cn(CCCc2ccc(OC3CCNCC3)cc2)c(n1)-c1cc2sccc2n1C Show InChI InChI=1S/C26H32N4OS/c1-3-20-18-30(26(28-20)24-17-25-23(29(24)2)12-16-32-25)15-4-5-19-6-8-21(9-7-19)31-22-10-13-27-14-11-22/h6-9,12,16-18,22,27H,3-5,10-11,13-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology IRCCS Curated by ChEMBL					Assay Description Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay				ACS Med Chem Lett 11: 754-759 (2020) Article DOI: 10.1021/acsmedchemlett.9b00604 BindingDB Entry DOI: 10.7270/Q22J6GFN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50540653 (CHEMBL4637660) Show SMILES CCc1cn(CCCc2ccc(OCC3CCNC3)cc2)c(n1)-c1cc2sccc2n1C Show InChI InChI=1S/C26H32N4OS/c1-3-21-17-30(26(28-21)24-15-25-23(29(24)2)11-14-32-25)13-4-5-19-6-8-22(9-7-19)31-18-20-10-12-27-16-20/h6-9,11,14-15,17,20,27H,3-5,10,12-13,16,18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology IRCCS Curated by ChEMBL					Assay Description Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay				ACS Med Chem Lett 11: 754-759 (2020) Article DOI: 10.1021/acsmedchemlett.9b00604 BindingDB Entry DOI: 10.7270/Q22J6GFN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50540641 (CHEMBL4636234) Show SMILES CCCc1cn(CCCc2ccc(OCC3CCNC3)cc2)c(n1)-c1cc2sccc2n1C Show InChI InChI=1S/C27H34N4OS/c1-3-5-22-18-31(27(29-22)25-16-26-24(30(25)2)12-15-33-26)14-4-6-20-7-9-23(10-8-20)32-19-21-11-13-28-17-21/h7-10,12,15-16,18,21,28H,3-6,11,13-14,17,19H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology IRCCS Curated by ChEMBL					Assay Description Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay				ACS Med Chem Lett 11: 754-759 (2020) Article DOI: 10.1021/acsmedchemlett.9b00604 BindingDB Entry DOI: 10.7270/Q22J6GFN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50540651 (CHEMBL4645131) Show SMILES CCc1cn(CCOc2ccc(OC3CCCNCC3)cc2)c(n1)-c1cc2sccc2n1C Show InChI InChI=1S/C26H32N4O2S/c1-3-19-18-30(26(28-19)24-17-25-23(29(24)2)11-16-33-25)14-15-31-20-6-8-22(9-7-20)32-21-5-4-12-27-13-10-21/h6-9,11,16-18,21,27H,3-5,10,12-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology IRCCS Curated by ChEMBL					Assay Description Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay				ACS Med Chem Lett 11: 754-759 (2020) Article DOI: 10.1021/acsmedchemlett.9b00604 BindingDB Entry DOI: 10.7270/Q22J6GFN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50540652 (CHEMBL4638582) Show SMILES CCc1cn(CCCc2ccc(OCC3CCNCC3)cc2)c(n1)-c1cc2sccc2n1C Show InChI InChI=1S/C27H34N4OS/c1-3-22-18-31(27(29-22)25-17-26-24(30(25)2)12-16-33-26)15-4-5-20-6-8-23(9-7-20)32-19-21-10-13-28-14-11-21/h6-9,12,16-18,21,28H,3-5,10-11,13-15,19H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology IRCCS Curated by ChEMBL					Assay Description Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay				ACS Med Chem Lett 11: 754-759 (2020) Article DOI: 10.1021/acsmedchemlett.9b00604 BindingDB Entry DOI: 10.7270/Q22J6GFN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1 (Homo sapiens (Human))	BDBM50155773 (CHEMBL3781751 | US9469597, 5) Show SMILES [H][C@@]1(CC[C@H](N)CC1)N[C@@H]1C[C@H]1c1ccccc1 |r,wU:9.9,wD:11.13,4.4,1.0,(-4.65,6.17,;-4.67,5.14,;-4.65,3.62,;-5.99,2.87,;-7.32,3.66,;-8.39,3.05,;-7.3,5.2,;-5.95,5.95,;-3.34,4.36,;-3.36,2.83,;-4.13,1.49,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,)| Show InChI InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12-,13-,14-,15+/m0/s1	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using [Lys(Me1)4]-Histone H3 (1 to 21 residues)-GGK(biotin) as sub...				J Med Chem 60: 1693-1715 (2017) Article DOI: 10.1021/acs.jmedchem.6b01019 BindingDB Entry DOI: 10.7270/Q22809VX
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50540647 (CHEMBL4641915) Show SMILES Cn1c(cc2sccc12)-c1nc(cn1CCCc1ccc(OCC2CCNC2)cc1)C1CCC1 Show InChI InChI=1S/C28H34N4OS/c1-31-25-12-15-34-27(25)16-26(31)28-30-24(22-5-2-6-22)18-32(28)14-3-4-20-7-9-23(10-8-20)33-19-21-11-13-29-17-21/h7-10,12,15-16,18,21-22,29H,2-6,11,13-14,17,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology IRCCS Curated by ChEMBL					Assay Description Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay				ACS Med Chem Lett 11: 754-759 (2020) Article DOI: 10.1021/acsmedchemlett.9b00604 BindingDB Entry DOI: 10.7270/Q22J6GFN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50262878 (3-hydroxy-5-(3-(3-hydroxy-5-(trimethylammonio)phen...) Show SMILES C[N+](C)(C)c1cc(O)cc(OCCCOc2cc(O)cc(c2)[N+](C)(C)C)c1 Show InChI InChI=1S/C21H30N2O4/c1-22(2,3)16-10-18(24)14-20(12-16)26-8-7-9-27-21-13-17(23(4,5)6)11-19(25)15-21/h10-15H,7-9H2,1-6H3/p+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Università di Bari Curated by ChEMBL					Assay Description Inhibition of bovine AChE by Ellman's method				Bioorg Med Chem 16: 7450-6 (2008) Article DOI: 10.1016/j.bmc.2008.06.022 BindingDB Entry DOI: 10.7270/Q2NC611F
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50540650 (CHEMBL4640188) Show SMILES CCc1cn(CCOc2ccc(OC3CCNCC3)cc2)c(n1)-c1cc2sccc2n1C Show InChI InChI=1S/C25H30N4O2S/c1-3-18-17-29(25(27-18)23-16-24-22(28(23)2)10-15-32-24)13-14-30-19-4-6-20(7-5-19)31-21-8-11-26-12-9-21/h4-7,10,15-17,21,26H,3,8-9,11-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology IRCCS Curated by ChEMBL					Assay Description Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay				ACS Med Chem Lett 11: 754-759 (2020) Article DOI: 10.1021/acsmedchemlett.9b00604 BindingDB Entry DOI: 10.7270/Q22J6GFN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1 (Homo sapiens (Human))	BDBM254603 (US10214477, Example 5 | US9469597, 4 | US9670136, ...) Show SMILES NC1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |wU:10.12,wD:8.8,(11.17,-2.23,;9.76,-2.86,;8.52,-1.95,;7.11,-2.58,;6.95,-4.11,;8.19,-5.02,;9.6,-4.39,;5.54,-4.74,;4.21,-3.97,;2.67,-3.97,;3.44,-2.64,;3.44,-1.1,;2.1,-.33,;2.1,1.21,;3.44,1.98,;4.77,1.21,;4.77,-.33,)| Show InChI InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12?,13?,14-,15+/m0/s1	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2...				J Med Chem 60: 1673-1692 (2017) Article DOI: 10.1021/acs.jmedchem.6b01018 BindingDB Entry DOI: 10.7270/Q26112KN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50262926 (3-(4-(3,4-dimethyl-2-oxo-2H-chromen-7-yloxy)butoxy...) Show SMILES Cc1c(C)c(=O)oc2cc(OCCCCOc3cc(O)cc(c3)[N+](C)(C)C)ccc12 Show InChI InChI=1S/C24H29NO5/c1-16-17(2)24(27)30-23-15-20(8-9-22(16)23)28-10-6-7-11-29-21-13-18(25(3,4)5)12-19(26)14-21/h8-9,12-15H,6-7,10-11H2,1-5H3/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Università di Bari Curated by ChEMBL					Assay Description Inhibition of bovine AChE by Ellman's method				Bioorg Med Chem 16: 7450-6 (2008) Article DOI: 10.1016/j.bmc.2008.06.022 BindingDB Entry DOI: 10.7270/Q2NC611F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50262880 (3-(3-(3,4-dimethyl-2-oxo-2H-chromen-7-yloxy)propox...) Show SMILES Cc1c(C)c(=O)oc2cc(OCCCOc3cc(O)cc(c3)[N+](C)(C)C)ccc12 Show InChI InChI=1S/C23H27NO5/c1-15-16(2)23(26)29-22-14-19(7-8-21(15)22)27-9-6-10-28-20-12-17(24(3,4)5)11-18(25)13-20/h7-8,11-14H,6,9-10H2,1-5H3/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Università di Bari Curated by ChEMBL					Assay Description Inhibition of bovine AChE by Ellman's method				Bioorg Med Chem 16: 7450-6 (2008) Article DOI: 10.1016/j.bmc.2008.06.022 BindingDB Entry DOI: 10.7270/Q2NC611F
					More data for this Ligand-Target Pair
REST corepressor 1 [4-485] (Homo sapiens (Human))	BDBM50155773 (CHEMBL3781751 | US9469597, 5) Show SMILES [H][C@@]1(CC[C@H](N)CC1)N[C@@H]1C[C@H]1c1ccccc1 |r,wU:9.9,wD:11.13,4.4,1.0,(-4.65,6.17,;-4.67,5.14,;-4.65,3.62,;-5.99,2.87,;-7.32,3.66,;-8.39,3.05,;-7.3,5.2,;-5.95,5.95,;-3.34,4.36,;-3.36,2.83,;-4.13,1.49,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,)| Show InChI InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12-,13-,14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...				J Med Chem 59: 1501-17 (2016) Article DOI: 10.1021/acs.jmedchem.5b01209 BindingDB Entry DOI: 10.7270/Q2086767
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1 (Homo sapiens (Human))	BDBM50236447 (CHEMBL4069817) Show SMILES CCn1c(cc2sccc12)C(=O)Nc1cccc(COC)c1COc1ccc(OC[C@@H]2CCNC2)cc1 |r| Show InChI InChI=1S/C29H33N3O4S/c1-3-32-26-12-14-37-28(26)15-27(32)29(33)31-25-6-4-5-21(18-34-2)24(25)19-36-23-9-7-22(8-10-23)35-17-20-11-13-30-16-20/h4-10,12,14-15,20,30H,3,11,13,16-19H2,1-2H3,(H,31,33)/t20-/m1/s1	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using [Lys(Me1)4]-Histone H3 (1 to 21 residues)-GGK(biotin) as sub...				J Med Chem 60: 1693-1715 (2017) Article DOI: 10.1021/acs.jmedchem.6b01019 BindingDB Entry DOI: 10.7270/Q22809VX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50023732 (CHEMBL3330339) Show SMILES OC(=O)C(F)(F)F.C[C@]1(N)C[C@@H]1c1ccccc1 |r| Show InChI InChI=1S/C10H13N.C2HF3O2/c1-10(11)7-9(10)8-5-3-2-4-6-8;3-2(4,5)1(6)7/h2-6,9H,7,11H2,1H3;(H,6,7)/t9-,10+;/m1./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB expressed in Pichia pastoris incubated for 15 mins by bioluminescent-coupled assay				Eur J Med Chem 86: 352-63 (2014) Article DOI: 10.1016/j.ejmech.2014.08.068 BindingDB Entry DOI: 10.7270/Q2ZG6TT3
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1 (Homo sapiens (Human))	BDBM50236444 (CHEMBL4090812) Show SMILES CCOCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC[C@@H]2CCNC2)cc1 |r| Show InChI InChI=1S/C29H33N3O4S/c1-3-34-18-21-5-4-6-25(31-29(33)27-15-28-26(32(27)2)12-14-37-28)24(21)19-36-23-9-7-22(8-10-23)35-17-20-11-13-30-16-20/h4-10,12,14-15,20,30H,3,11,13,16-19H2,1-2H3,(H,31,33)/t20-/m1/s1	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using [Lys(Me1)4]-Histone H3 (1 to 21 residues)-GGK(biotin) as sub...				J Med Chem 60: 1693-1715 (2017) Article DOI: 10.1021/acs.jmedchem.6b01019 BindingDB Entry DOI: 10.7270/Q22809VX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Bos taurus (bovine))	BDBM10624 (1,5-bis(4-allyldimethylammoniumphenyl)-pentan-3-on...) Show SMILES C[N+](C)(CC=C)c1ccc(CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C)cc1 Show InChI InChI=1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Università di Bari Curated by ChEMBL					Assay Description Inhibition of bovine AChE by Ellman's method				Bioorg Med Chem 16: 7450-6 (2008) Article DOI: 10.1016/j.bmc.2008.06.022 BindingDB Entry DOI: 10.7270/Q2NC611F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific histone demethylase 1A/REST corepressor 1 (Homo sapiens (Human))	BDBM50236441 (CHEMBL4072541) Show SMILES COCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC[C@@H]2CCNC2)cc1 |r| Show InChI InChI=1S/C28H31N3O4S/c1-31-25-11-13-36-27(25)14-26(31)28(32)30-24-5-3-4-20(17-33-2)23(24)18-35-22-8-6-21(7-9-22)34-16-19-10-12-29-15-19/h3-9,11,13-14,19,29H,10,12,15-18H2,1-2H3,(H,30,32)/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using [Lys(Me1)4]-Histone H3 (1 to 21 residues)-GGK(biotin) as sub...				J Med Chem 60: 1693-1715 (2017) Article DOI: 10.1021/acs.jmedchem.6b01019 BindingDB Entry DOI: 10.7270/Q22809VX
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50023746 (CHEMBL3330328) Show SMILES Cl.C[C@@]1(N)C[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C10H13N/c1-10(11)7-9(10)8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-,10+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB expressed in Pichia pastoris incubated for 15 mins by bioluminescent-coupled assay				Eur J Med Chem 86: 352-63 (2014) Article DOI: 10.1016/j.ejmech.2014.08.068 BindingDB Entry DOI: 10.7270/Q2ZG6TT3
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50481203 (CHEMBL569327) Show SMILES CN1CCN(Cc2ccccc2C(=O)\C=C\c2ccc(\C=C\C(=O)NO)nc2)CC1 Show InChI InChI=1S/C23H26N4O3/c1-26-12-14-27(15-13-26)17-19-4-2-3-5-21(19)22(28)10-7-18-6-8-20(24-16-18)9-11-23(29)25-30/h2-11,16,30H,12-15,17H2,1H3,(H,25,29)/b10-7+,11-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of human HDAC extracted from human HeLa cells				J Med Chem 53: 822-39 (2010) Article DOI: 10.1021/jm901502p BindingDB Entry DOI: 10.7270/Q2CR5X5X
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50481193 (CHEMBL569731) Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)\C=C\c1cccc(\C=C\C(=O)NO)n1 Show InChI InChI=1S/C22H24N4O3/c1-25-13-15-26(16-14-25)20-9-5-17(6-10-20)21(27)11-7-18-3-2-4-19(23-18)8-12-22(28)24-29/h2-12,29H,13-16H2,1H3,(H,24,28)/b11-7+,12-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of human HDAC extracted from human HeLa cells				J Med Chem 53: 822-39 (2010) Article DOI: 10.1021/jm901502p BindingDB Entry DOI: 10.7270/Q2CR5X5X
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50481189 (CHEMBL569546) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)\C=C\c2cccc(\C=C\C(=O)NO)c2)CC1 Show InChI InChI=1S/C24H27N3O3/c1-26-13-15-27(16-14-26)18-21-5-9-22(10-6-21)23(28)11-7-19-3-2-4-20(17-19)8-12-24(29)25-30/h2-12,17,30H,13-16,18H2,1H3,(H,25,29)/b11-7+,12-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of human HDAC extracted from human HeLa cells				J Med Chem 53: 822-39 (2010) Article DOI: 10.1021/jm901502p BindingDB Entry DOI: 10.7270/Q2CR5X5X
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1 (Homo sapiens (Human))	BDBM50236456 (CHEMBL4081995) Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OC[C@@H]2CCNC2)cc1 |r| Show InChI InChI=1S/C26H27N3O3S/c1-29-23-11-13-33-25(23)14-24(29)26(30)28-22-5-3-2-4-19(22)17-32-21-8-6-20(7-9-21)31-16-18-10-12-27-15-18/h2-9,11,13-14,18,27H,10,12,15-17H2,1H3,(H,28,30)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using [Lys(Me1)4]-Histone H3 (1 to 21 residues)-GGK(biotin) as sub...				J Med Chem 60: 1693-1715 (2017) Article DOI: 10.1021/acs.jmedchem.6b01019 BindingDB Entry DOI: 10.7270/Q22809VX
					More data for this Ligand-Target Pair				3D Structure (crystal)
REST corepressor 1 [4-485] (Homo sapiens (Human))	BDBM50155579 (CHEMBL3546846) Show SMILES 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 GoogleScholar AffyNet	Purchase CHEMBL MCE 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
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...				J Med Chem 59: 1501-17 (2016) Article DOI: 10.1021/acs.jmedchem.5b01209 BindingDB Entry DOI: 10.7270/Q2086767
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50481200 (CHEMBL569715) Show SMILES ONC(=O)\C=C\c1cccc(\C=C\C(=O)c2ccccc2)n1 Show InChI InChI=1S/C17H14N2O3/c20-16(13-5-2-1-3-6-13)11-9-14-7-4-8-15(18-14)10-12-17(21)19-22/h1-12,22H,(H,19,21)/b11-9+,12-10+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of human HDAC extracted from human HeLa cells				J Med Chem 53: 822-39 (2010) Article DOI: 10.1021/jm901502p BindingDB Entry DOI: 10.7270/Q2CR5X5X
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50481188 (CHEMBL571993) Show SMILES CN1CCN(CC1)c1cccc(c1)C(=O)\C=C\c1cccc(\C=C\C(=O)NO)c1 Show InChI InChI=1S/C23H25N3O3/c1-25-12-14-26(15-13-25)21-7-3-6-20(17-21)22(27)10-8-18-4-2-5-19(16-18)9-11-23(28)24-29/h2-11,16-17,29H,12-15H2,1H3,(H,24,28)/b10-8+,11-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of human HDAC extracted from human HeLa cells				J Med Chem 53: 822-39 (2010) Article DOI: 10.1021/jm901502p BindingDB Entry DOI: 10.7270/Q2CR5X5X
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50023741 (CHEMBL3330334) Show SMILES Cl.N[C@]1(CCc2ccccc2)C[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C17H19N.ClH/c18-17(12-11-14-7-3-1-4-8-14)13-16(17)15-9-5-2-6-10-15;/h1-10,16H,11-13,18H2;1H/t16-,17+;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 20 mins by bioluminescent-coupled assay				Eur J Med Chem 86: 352-63 (2014) Article DOI: 10.1016/j.ejmech.2014.08.068 BindingDB Entry DOI: 10.7270/Q2ZG6TT3
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50481187 (CHEMBL578393) Show SMILES ONC(=O)\C=C\c1ccc(\C=C\C(=O)c2ccccc2)cn1 Show InChI InChI=1S/C17H14N2O3/c20-16(14-4-2-1-3-5-14)10-7-13-6-8-15(18-12-13)9-11-17(21)19-22/h1-12,22H,(H,19,21)/b10-7+,11-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of human HDAC extracted from human HeLa cells				J Med Chem 53: 822-39 (2010) Article DOI: 10.1021/jm901502p BindingDB Entry DOI: 10.7270/Q2CR5X5X
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1 (Homo sapiens (Human))	BDBM50236457 (CHEMBL4074211) Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OCC2CCNC2)cc1 Show InChI InChI=1S/C26H27N3O3S/c1-29-23-11-13-33-25(23)14-24(29)26(30)28-22-5-3-2-4-19(22)17-32-21-8-6-20(7-9-21)31-16-18-10-12-27-15-18/h2-9,11,13-14,18,27H,10,12,15-17H2,1H3,(H,28,30)	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using [Lys(Me1)4]-Histone H3 (1 to 21 residues)-GGK(biotin) as sub...				J Med Chem 60: 1693-1715 (2017) Article DOI: 10.1021/acs.jmedchem.6b01019 BindingDB Entry DOI: 10.7270/Q22809VX
					More data for this Ligand-Target Pair				3D Structure (crystal)
REST corepressor 1 [4-485] (Homo sapiens (Human))	BDBM50155763 (CHEMBL3780391) Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(cc2)-c2ccoc2)cc1 |r| Show InChI InChI=1S/C20H18N2O2.ClH/c21-19-11-18(19)14-5-7-17(8-6-14)22-20(23)15-3-1-13(2-4-15)16-9-10-24-12-16;/h1-10,12,18-19H,11,21H2,(H,22,23);1H/t18-,19+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...				J Med Chem 59: 1501-17 (2016) Article DOI: 10.1021/acs.jmedchem.5b01209 BindingDB Entry DOI: 10.7270/Q2086767
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50481186 (CHEMBL569959) Show SMILES CN1CCN(Cc2cccc(c2)C(=O)\C=C\c2cccc(\C=C\C(=O)NO)c2)CC1 Show InChI InChI=1S/C24H27N3O3/c1-26-12-14-27(15-13-26)18-21-6-3-7-22(17-21)23(28)10-8-19-4-2-5-20(16-19)9-11-24(29)25-30/h2-11,16-17,30H,12-15,18H2,1H3,(H,25,29)/b10-8+,11-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of human HDAC extracted from human HeLa cells				J Med Chem 53: 822-39 (2010) Article DOI: 10.1021/jm901502p BindingDB Entry DOI: 10.7270/Q2CR5X5X
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50155764 (CHEMBL3780674) Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2cccc(NC(=O)OCc3ccccc3)c2)cc1 |r| Show InChI InChI=1S/C24H23N3O3.ClH/c25-22-14-21(22)17-9-11-19(12-10-17)26-23(28)18-7-4-8-20(13-18)27-24(29)30-15-16-5-2-1-3-6-16;/h1-13,21-22H,14-15,25H2,(H,26,28)(H,27,29);1H/t21-,22+;/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
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA expressed in Pichia pastoris preincubated for 15 mins measured after 30 mins by bioluminescent-coupled assay				J Med Chem 59: 1501-17 (2016) Article DOI: 10.1021/acs.jmedchem.5b01209 BindingDB Entry DOI: 10.7270/Q2086767
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50481199 (CHEMBL570214) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)\C=C\c2ccc(\C=C\C(=O)NO)nc2)CC1 Show InChI InChI=1S/C23H26N4O3/c1-26-12-14-27(15-13-26)17-19-2-6-20(7-3-19)22(28)10-5-18-4-8-21(24-16-18)9-11-23(29)25-30/h2-11,16,30H,12-15,17H2,1H3,(H,25,29)/b10-5+,11-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of human HDAC extracted from human HeLa cells				J Med Chem 53: 822-39 (2010) Article DOI: 10.1021/jm901502p BindingDB Entry DOI: 10.7270/Q2CR5X5X
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50481185 (CHEMBL583545) Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)\C=C\c1cccc(\C=C\C(=O)NO)c1 Show InChI InChI=1S/C23H25N3O3/c1-25-13-15-26(16-14-25)21-9-7-20(8-10-21)22(27)11-5-18-3-2-4-19(17-18)6-12-23(28)24-29/h2-12,17,29H,13-16H2,1H3,(H,24,28)/b11-5+,12-6+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of human HDAC extracted from human HeLa cells				J Med Chem 53: 822-39 (2010) Article DOI: 10.1021/jm901502p BindingDB Entry DOI: 10.7270/Q2CR5X5X
					More data for this Ligand-Target Pair

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