Compile Data Set for Download or QSAR

Found 91 hits with Last Name = 'casero' and Initial = 'ra'   

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))	BDBM113742 (N-[4-(2-Hydrazinylethyl)phenyl]-4-phenylbutanamide...) Show SMILES NNCCc1ccc(NC(=O)CCCc2ccccc2)cc1 Show InChI InChI=1S/C18H23N3O/c19-20-14-13-16-9-11-17(12-10-16)21-18(22)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12,20H,4,7-8,13-14,19H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113753 (N-[4-(2-Hydrazinylethyl)phenyl]-4-(1H-indol-3-yl)b...) Show SMILES NNCCc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C20H24N4O/c21-23-13-12-15-8-10-17(11-9-15)24-20(25)7-3-4-16-14-22-19-6-2-1-5-18(16)19/h1-2,5-6,8-11,14,22-23H,3-4,7,12-13,21H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113750 ((2E)-N-[4-(2-Hydrazinylethyl)phenyl]-3-phenylprop-...) Show SMILES NNCCc1ccc(NC(=O)\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C17H19N3O/c18-19-13-12-15-6-9-16(10-7-15)20-17(21)11-8-14-4-2-1-3-5-14/h1-11,19H,12-13,18H2,(H,20,21)/b11-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113745 (4-(4-Fluorophenyl)-N-[4-(2-hydrazinylethyl)phenyl]...) Show SMILES NNCCc1ccc(NC(=O)CCCc2ccc(F)cc2)cc1 Show InChI InChI=1S/C18H22FN3O/c19-16-8-4-14(5-9-16)2-1-3-18(23)22-17-10-6-15(7-11-17)12-13-21-20/h4-11,21H,1-3,12-13,20H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113744 (4-(4-Chlorophenyl)-N-[4-(2-hydrazinylethyl)phenyl]...) Show SMILES NNCCc1ccc(NC(=O)CCCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C18H22ClN3O/c19-16-8-4-14(5-9-16)2-1-3-18(23)22-17-10-6-15(7-11-17)12-13-21-20/h4-11,21H,1-3,12-13,20H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	156	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113748 (2-(3-{[4-(2-Hydrazinylethyl)phenyl]amino}-3-oxopro...) Show SMILES CS(=O)(=O)Oc1ccccc1CCC(=O)Nc1ccc(CCNN)cc1 Show InChI InChI=1S/C18H23N3O4S/c1-26(23,24)25-17-5-3-2-4-15(17)8-11-18(22)21-16-9-6-14(7-10-16)12-13-20-19/h2-7,9-10,20H,8,11-13,19H2,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	204	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113746 (N-[4-(2-Hydrazinylethyl)phenyl]-4-(4-methoxyphenyl...) Show SMILES COc1ccc(CCCC(=O)Nc2ccc(CCNN)cc2)cc1 Show InChI InChI=1S/C19H25N3O2/c1-24-18-11-7-15(8-12-18)3-2-4-19(23)22-17-9-5-16(6-10-17)13-14-21-20/h5-12,21H,2-4,13-14,20H2,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	207	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113752 (N-[4-(2-Hydrazinylethyl)phenyl]-3-(1H-indol-3-yl)p...) Show SMILES NNCCc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C19H22N4O/c20-22-12-11-14-5-8-16(9-6-14)23-19(24)10-7-15-13-21-18-4-2-1-3-17(15)18/h1-6,8-9,13,21-22H,7,10-12,20H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113749 (3-(3-{[4-(2-Hydrazinylethyl)phenyl]amino}-3-oxopro...) Show SMILES CS(=O)(=O)Oc1cccc(CCC(=O)Nc2ccc(CCNN)cc2)c1 Show InChI InChI=1S/C18H23N3O4S/c1-26(23,24)25-17-4-2-3-15(13-17)7-10-18(22)21-16-8-5-14(6-9-16)11-12-20-19/h2-6,8-9,13,20H,7,10-12,19H2,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	223	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113743 (N-[4-(2-Hydrazinylethyl)phenyl]-5-phenylpentanamid...) Show SMILES NNCCc1ccc(NC(=O)CCCCc2ccccc2)cc1 Show InChI InChI=1S/C19H25N3O/c20-21-15-14-17-10-12-18(13-11-17)22-19(23)9-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,10-13,21H,4-5,8-9,14-15,20H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113741 (N-[4-(2-Hydrazinylethyl)phenyl]-3-phenylpropanamid...) Show SMILES NNCCc1ccc(NC(=O)CCc2ccccc2)cc1 Show InChI InChI=1S/C17H21N3O/c18-19-13-12-15-6-9-16(10-7-15)20-17(21)11-8-14-4-2-1-3-5-14/h1-7,9-10,19H,8,11-13,18H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113739 (N-[4-(2-Hydrazinylethyl)phenyl]benzamide dihydroch...) Show SMILES NNCCc1ccc(NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C15H17N3O/c16-17-11-10-12-6-8-14(9-7-12)18-15(19)13-4-2-1-3-5-13/h1-9,17H,10-11,16H2,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113747 (N-[4-(2-Hydrazinylethyl)phenyl]-4-(4-nitrophenyl)b...) Show SMILES NNCCc1ccc(NC(=O)CCCc2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C18H22N4O3/c19-20-13-12-15-4-8-16(9-5-15)21-18(23)3-1-2-14-6-10-17(11-7-14)22(24)25/h4-11,20H,1-3,12-13,19H2,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	282	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113740 (N-[4-(2-Hydrazinylethyl)phenyl]-2-phenylacetamide ...) Show SMILES NNCCc1ccc(NC(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C16H19N3O/c17-18-11-10-13-6-8-15(9-7-13)19-16(20)12-14-4-2-1-3-5-14/h1-9,18H,10-12,17H2,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Rattus norvegicus)	BDBM50369827 (CHEMBL611536) Show SMILES NCCC=NC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12 |r,w:3.2| Show InChI InChI=1S/C13H19N7O3/c14-2-1-3-16-4-7-9(21)10(22)13(23-7)20-6-19-8-11(15)17-5-18-12(8)20/h3,5-7,9-10,13,21-22H,1-2,4,14H2,(H2,15,17,18)/t7-,9-,10-,13?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of rat liver form of S-adenosyl-methionine decarboxylase enzyme				J Med Chem 44: 1-26 (2001) BindingDB Entry DOI: 10.7270/Q28S4QNR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50105417 (CHEMBL1089 | Nardil | PHENELZINE | Phenethyl-hydra...) Show SMILES NNCCc1ccccc1 Show InChI InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL MAO-A/B (final concentrations were 100-200 nM and 0.837 µM for MAO-A and MAO...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113751 ({3-[4-(Benxyloxy)phenyl]propyl}hydrazine dihydroch...) Show SMILES NNCCCc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C16H20N2O/c17-18-12-4-7-14-8-10-16(11-9-14)19-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-13,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50046201 ((2E)-2-((2E)-2-{[(E)-amino(imino)methyl]hydrazono}...) Show SMILES [#6]-[#6](-[#6]=[#7]-[#7]-[#6](-[#7])=[#7])=[#7]\[#7]=[#6](\[#7])-[#7] |w:3.3,8.8| Show InChI InChI=1S/C5H12N8/c1-3(11-13-5(8)9)2-10-12-4(6)7/h2H,1H3,(H4,6,7,12)(H4,8,9,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of rat liver form of S-adenosyl-methionine decarboxylase enzyme				J Med Chem 44: 1-26 (2001) BindingDB Entry DOI: 10.7270/Q28S4QNR
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113755 (N-Benzyl-N-[4-(2-hydrazinylethyl)phenyl]-4-phenylb...) Show SMILES NNCCc1ccc(cc1)N(Cc1ccccc1)C(=O)CCCc1ccccc1 Show InChI InChI=1S/C25H29N3O/c26-27-19-18-22-14-16-24(17-15-22)28(20-23-10-5-2-6-11-23)25(29)13-7-12-21-8-3-1-4-9-21/h1-6,8-11,14-17,27H,7,12-13,18-20,26H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113754 (N-[4-(2-Hydrazinylethyl)phenyl]-N-methyl-4-phenylb...) Show SMILES CN(C(=O)CCCc1ccccc1)c1ccc(CCNN)cc1 Show InChI InChI=1S/C19H25N3O/c1-22(18-12-10-17(11-13-18)14-15-21-20)19(23)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-13,21H,5,8-9,14-15,20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50065386 (CHEMBL3401327) Show SMILES Cl.S=C(NCCCNCCCCCNCCCNC(=S)NCCC(c1ccccc1)c1ccccc1)NCCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C43H58N6S2.ClH/c50-42(48-34-26-40(36-18-6-1-7-19-36)37-20-8-2-9-21-37)46-32-16-30-44-28-14-5-15-29-45-31-17-33-47-43(51)49-35-27-41(38-22-10-3-11-23-38)39-24-12-4-13-25-39;/h1-4,6-13,18-25,40-41,44-45H,5,14-17,26-35H2,(H2,46,48,50)(H2,47,49,51);1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
John Hopkins University Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant LSD1 by Lineweaver-Burk plot analysis				Bioorg Med Chem 23: 1601-12 (2015) Article DOI: 10.1016/j.bmc.2015.01.049 BindingDB Entry DOI: 10.7270/Q25Q4XSD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM113742 (N-[4-(2-Hydrazinylethyl)phenyl]-4-phenylbutanamide...) Show SMILES NNCCc1ccc(NC(=O)CCCc2ccccc2)cc1 Show InChI InChI=1S/C18H23N3O/c19-20-14-13-16-9-11-17(12-10-16)21-18(22)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12,20H,4,7-8,13-14,19H2,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL MAO-A/B (final concentrations were 100-200 nM and 0.837 µM for MAO-A and MAO...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50105417 (CHEMBL1089 | Nardil | PHENELZINE | Phenethyl-hydra...) Show SMILES NNCCc1ccccc1 Show InChI InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL MAO-A/B (final concentrations were 100-200 nM and 0.837 µM for MAO-A and MAO...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113730 ((3-Phenylpropyl)hydrazine dihydrochloride salt (9c...) Show SMILES NNCCCc1ccccc1 Show InChI InChI=1S/C9H14N2/c10-11-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,11H,4,7-8,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50105417 (CHEMBL1089 | Nardil | PHENELZINE | Phenethyl-hydra...) Show SMILES NNCCc1ccccc1 Show InChI InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM113742 (N-[4-(2-Hydrazinylethyl)phenyl]-4-phenylbutanamide...) Show SMILES NNCCc1ccc(NC(=O)CCCc2ccccc2)cc1 Show InChI InChI=1S/C18H23N3O/c19-20-14-13-16-9-11-17(12-10-16)21-18(22)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12,20H,4,7-8,13-14,19H2,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL MAO-A/B (final concentrations were 100-200 nM and 0.837 µM for MAO-A and MAO...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113732 ([3-(4-Methoxyphenyl)propyl]hydrazine dihydrochlori...) Show SMILES COc1ccc(CCCNN)cc1 Show InChI InChI=1S/C10H16N2O/c1-13-10-6-4-9(5-7-10)3-2-8-12-11/h4-7,12H,2-3,8,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113737 ((3-Phenoxypropyl)hydrazine dihydrochloride salt (1...) Show SMILES NNCCCOc1ccccc1 Show InChI InChI=1S/C9H14N2O/c10-11-7-4-8-12-9-5-2-1-3-6-9/h1-3,5-6,11H,4,7-8,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50318565 (CHEMBL1086217) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]C#C)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#8])=O |r| Show InChI InChI=1S/C97H174N36O28/c1-11-39-110-40-19-15-27-60(127-92(158)75(56(10)137)132-85(151)63(120-76(142)50(4)101)30-22-43-113-97(108)109)80(146)125-65(33-35-70(103)139)86(152)131-74(55(9)136)91(157)116-51(5)77(143)121-61(28-20-41-111-95(104)105)81(147)123-59(26-14-18-38-100)83(149)129-67(48-134)88(154)130-73(54(8)135)90(156)115-46-71(140)114-47-72(141)119-57(24-12-16-36-98)78(144)117-52(6)93(159)133-44-23-31-68(133)89(155)126-62(29-21-42-112-96(106)107)82(148)122-58(25-13-17-37-99)79(145)124-64(32-34-69(102)138)84(150)128-66(45-49(2)3)87(153)118-53(7)94(160)161/h1,49-68,73-75,110,134-137H,12-48,98-101H2,2-10H3,(H2,102,138)(H2,103,139)(H,114,140)(H,115,156)(H,116,157)(H,117,144)(H,118,153)(H,119,141)(H,120,142)(H,121,143)(H,122,148)(H,123,147)(H,124,145)(H,125,146)(H,126,155)(H,127,158)(H,128,150)(H,129,149)(H,130,154)(H,131,152)(H,132,151)(H,160,161)(H4,104,105,111)(H4,106,107,112)(H4,108,109,113)/t50-,51-,52-,53-,54+,55+,56+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,73-,74-,75-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.66E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of LSD1				J Med Chem 53: 5197-212 (2010) Article DOI: 10.1021/jm100217a BindingDB Entry DOI: 10.7270/Q2QR4Z35
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50318565 (CHEMBL1086217) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]C#C)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#8])=O |r| Show InChI InChI=1S/C97H174N36O28/c1-11-39-110-40-19-15-27-60(127-92(158)75(56(10)137)132-85(151)63(120-76(142)50(4)101)30-22-43-113-97(108)109)80(146)125-65(33-35-70(103)139)86(152)131-74(55(9)136)91(157)116-51(5)77(143)121-61(28-20-41-111-95(104)105)81(147)123-59(26-14-18-38-100)83(149)129-67(48-134)88(154)130-73(54(8)135)90(156)115-46-71(140)114-47-72(141)119-57(24-12-16-36-98)78(144)117-52(6)93(159)133-44-23-31-68(133)89(155)126-62(29-21-42-112-96(106)107)82(148)122-58(25-13-17-37-99)79(145)124-64(32-34-69(102)138)84(150)128-66(45-49(2)3)87(153)118-53(7)94(160)161/h1,49-68,73-75,110,134-137H,12-48,98-101H2,2-10H3,(H2,102,138)(H2,103,139)(H,114,140)(H,115,156)(H,116,157)(H,117,144)(H,118,153)(H,119,141)(H,120,142)(H,121,143)(H,122,148)(H,123,147)(H,124,145)(H,125,146)(H,126,155)(H,127,158)(H,128,150)(H,129,149)(H,130,154)(H,131,152)(H,132,151)(H,160,161)(H4,104,105,111)(H4,106,107,112)(H4,108,109,113)/t50-,51-,52-,53-,54+,55+,56+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,73-,74-,75-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.66E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Time-dependent inhibition of recombinant LSD1 catalytic domain (178 to 831 amino acids) (unknown origin) expressed in baculovirus infected insect Sf9...				Medchemcomm 3: 14-21 (2012) Article DOI: 10.1039/c1md00220a BindingDB Entry DOI: 10.7270/Q2SX6H67
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113735 ((4-Phenylbutyl)hydrazine dihydrochloride salt (9h)) Show SMILES NNCCCCc1ccccc1 Show InChI InChI=1S/C10H16N2/c11-12-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113736 ((2-Phenoxyethyl)hydrazine dihydrochloride salt (10...) Show SMILES NNCCOc1ccccc1 Show InChI InChI=1S/C8H12N2O/c9-10-6-7-11-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Diamine acetyltransferase 1 (Homo sapiens (Human))	BDBM50095444 (CHEMBL315330 | Methyl-phosphonic acid mono-{3-[3-(...) Show SMILES CCNCCCNCCCNCCCOP(C)(O)=O Show InChI InChI=1S/C12H30N3O3P/c1-3-13-7-4-8-14-9-5-10-15-11-6-12-18-19(2,16)17/h13-15H,3-12H2,1-2H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibitory activity against human SSAT				J Med Chem 44: 1-26 (2001) BindingDB Entry DOI: 10.7270/Q28S4QNR
					More data for this Ligand-Target Pair
Spermine synthase (Homo sapiens (Human))	BDBM50095449 (2-[1-(2-Amino-ethyl)-6-(3-amino-propylamino)-hexyl...) Show SMILES NCCCNCCCCCC(CCN)SC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C21H38N8O3S/c22-7-4-10-25-9-3-1-2-5-14(6-8-23)33-11-15-17(30)18(31)21(32-15)29-13-28-16-19(24)26-12-27-20(16)29/h12-15,17-18,21,25,30-31H,1-11,22-23H2,(H2,24,26,27)/t14?,15-,17-,18-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibitory activity against spermine synthase				J Med Chem 44: 1-26 (2001) BindingDB Entry DOI: 10.7270/Q28S4QNR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50550344 (CHEMBL4798363) Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cccc(n2)-c2cccc(n2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant HDAC1 (unknown origin) incubated for 15 mins before substrate addition and measured after 30 to 45 mins by HDAC-Glo substra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VH5SG7
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50550344 (CHEMBL4798363) Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cccc(n2)-c2cccc(n2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant HDAC3 (unknown origin)incubated for 15 mins before substrate addition and measured after 30 to 45 mins by HDAC-Glo substrat...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VH5SG7
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50550344 (CHEMBL4798363) Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cccc(n2)-c2cccc(n2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant HDAC2 (unknown origin)incubated for 15 mins before substrate addition and measured after 30 to 45 mins by HDAC-Glo substrat...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VH5SG7
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50322422 (CHEMBL1173445 | Largazole) Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26| Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant HDAC3 (unknown origin)incubated for 15 mins before substrate addition and measured after 30 to 45 mins by HDAC-Glo substrat...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VH5SG7
					More data for this Ligand-Target Pair
Spermine synthase (Homo sapiens (Human))	BDBM50095450 (2-[6-Amino-1-(2-amino-ethyl)-hexylsulfanylmethyl]-...) Show SMILES NCCCCCC(CCN)SC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C18H31N7O3S/c19-6-3-1-2-4-11(5-7-20)29-8-12-14(26)15(27)18(28-12)25-10-24-13-16(21)22-9-23-17(13)25/h9-12,14-15,18,26-27H,1-8,19-20H2,(H2,21,22,23)/t11?,12-,14-,15-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibitory activity against spermine synthase				J Med Chem 44: 1-26 (2001) BindingDB Entry DOI: 10.7270/Q28S4QNR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50322422 (CHEMBL1173445 | Largazole) Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26| Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant HDAC1 (unknown origin) incubated for 15 mins before substrate addition and measured after 30 to 45 mins by HDAC-Glo substra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VH5SG7
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50322422 (CHEMBL1173445 | Largazole) Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26| Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant HDAC2 (unknown origin)incubated for 15 mins before substrate addition and measured after 30 to 45 mins by HDAC-Glo substrat...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VH5SG7
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50322422 (CHEMBL1173445 | Largazole) Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26| Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant HDAC6 (unknown origin)incubated for 15 mins before substrate addition and measured after 30 to 45 mins by HDAC-Glo substrat...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VH5SG7
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50236898 ((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...) 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+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of LSD1				J Med Chem 52: 4551-73 (2009) Article DOI: 10.1021/jm900187v BindingDB Entry DOI: 10.7270/Q2RB77DT
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50478256 (CHEMBL264422) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)CCCCCCC(=O)NCCCNCCCCNCCC(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C44H58N6O3/c45-40-20-11-12-21-41(40)50-44(53)38-26-24-35(25-27-38)34-49-43(52)23-10-2-1-9-22-42(51)48-32-15-31-46-29-13-14-30-47-33-28-39(36-16-5-3-6-17-36)37-18-7-4-8-19-37/h3-8,11-12,16-21,24-27,39,46-47H,1-2,9-10,13-15,22-23,28-34,45H2,(H,48,51)(H,49,52)(H,50,53)	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	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of human HDAC in HeLa cells				J Med Chem 51: 2447-56 (2008) Article DOI: 10.1021/jm701384x BindingDB Entry DOI: 10.7270/Q2G163MW
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50113851 ((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...) Show SMILES NC1CC1c1ccccc1 Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
John Hopkins University Curated by ChEMBL					Assay Description Inhibition of MAO-A (unknown origin) by MAo-Glo kit analysis				Bioorg Med Chem 23: 1601-12 (2015) Article DOI: 10.1016/j.bmc.2015.01.049 BindingDB Entry DOI: 10.7270/Q25Q4XSD
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50065386 (CHEMBL3401327) Show SMILES Cl.S=C(NCCCNCCCCCNCCCNC(=S)NCCC(c1ccccc1)c1ccccc1)NCCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C43H58N6S2.ClH/c50-42(48-34-26-40(36-18-6-1-7-19-36)37-20-8-2-9-21-37)46-32-16-30-44-28-14-5-15-29-45-31-17-33-47-43(51)49-35-27-41(38-22-10-3-11-23-38)39-24-12-4-13-25-39;/h1-4,6-13,18-25,40-41,44-45H,5,14-17,26-35H2,(H2,46,48,50)(H2,47,49,51);1H	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	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
John Hopkins University Curated by ChEMBL					Assay Description Inhibition of human recombinant LSD1 after 30 mins to 4 hrs by fluorescence assay				Bioorg Med Chem 23: 1601-12 (2015) Article DOI: 10.1016/j.bmc.2015.01.049 BindingDB Entry DOI: 10.7270/Q25Q4XSD
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM19410 (CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of HDAC from human HeLa cells assessed as of histone H3 acetylation				J Med Chem 52: 4551-73 (2009) Article DOI: 10.1021/jm900187v BindingDB Entry DOI: 10.7270/Q2RB77DT
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50478255 (CHEMBL263393) Show SMILES CC(C)(C)c1ccc(CNCCCCNCCCNC(=O)CCCCCCC(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1 Show InChI InChI=1S/C40H58N6O3/c1-40(2,3)34-23-19-31(20-24-34)29-43-26-11-10-25-42-27-12-28-44-37(47)15-6-4-5-7-16-38(48)45-30-32-17-21-33(22-18-32)39(49)46-36-14-9-8-13-35(36)41/h8-9,13-14,17-24,42-43H,4-7,10-12,15-16,25-30,41H2,1-3H3,(H,44,47)(H,45,48)(H,46,49)	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	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of HDAC from human HeLa cells assessed as of histone H3 acetylation				J Med Chem 52: 4551-73 (2009) Article DOI: 10.1021/jm900187v BindingDB Entry DOI: 10.7270/Q2RB77DT
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50478255 (CHEMBL263393) Show SMILES CC(C)(C)c1ccc(CNCCCCNCCCNC(=O)CCCCCCC(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1 Show InChI InChI=1S/C40H58N6O3/c1-40(2,3)34-23-19-31(20-24-34)29-43-26-11-10-25-42-27-12-28-44-37(47)15-6-4-5-7-16-38(48)45-30-32-17-21-33(22-18-32)39(49)46-36-14-9-8-13-35(36)41/h8-9,13-14,17-24,42-43H,4-7,10-12,15-16,25-30,41H2,1-3H3,(H,44,47)(H,45,48)(H,46,49)	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	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of human HDAC in HeLa cells				J Med Chem 51: 2447-56 (2008) Article DOI: 10.1021/jm701384x BindingDB Entry DOI: 10.7270/Q2G163MW
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50113851 ((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...) Show SMILES NC1CC1c1ccccc1 Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
John Hopkins University Curated by ChEMBL					Assay Description Inhibition of MAO-B (unknown origin) by MAo-Glo kit analysis				Bioorg Med Chem 23: 1601-12 (2015) Article DOI: 10.1016/j.bmc.2015.01.049 BindingDB Entry DOI: 10.7270/Q25Q4XSD
					More data for this Ligand-Target Pair

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