Compile Data Set for Download or QSAR

Found 113 hits with Last Name = 'carettoni' and Initial = 'd'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Lysine-specific histone demethylase 1A/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/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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314133 (CHEMBL1093713 | N-(3,5-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1cc(C)cc(NC(=O)CCCCC(=O)NO)c1 Show InChI InChI=1S/C14H20N2O3/c1-10-7-11(2)9-12(8-10)15-13(17)5-3-4-6-14(18)16-19/h7-9,19H,3-6H2,1-2H3,(H,15,17)(H,16,18)	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	17	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314134 (CHEMBL1093041 | N-(3-Ethylphenyl)-N'-hydroxyoctane...) Show SMILES CCc1cccc(NC(=O)CCCCC(=O)NO)c1 Show InChI InChI=1S/C14H20N2O3/c1-2-11-6-5-7-12(10-11)15-13(17)8-3-4-9-14(18)16-19/h5-7,10,19H,2-4,8-9H2,1H3,(H,15,17)(H,16,18)	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	27	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314135 (CHEMBL1093359 | N-(3,4-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1ccc(NC(=O)CCCCC(=O)NO)cc1C Show InChI InChI=1S/C14H20N2O3/c1-10-7-8-12(9-11(10)2)15-13(17)5-3-4-6-14(18)16-19/h7-9,19H,3-6H2,1-2H3,(H,15,17)(H,16,18)	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	30	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314133 (CHEMBL1093713 | N-(3,5-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1cc(C)cc(NC(=O)CCCCC(=O)NO)c1 Show InChI InChI=1S/C14H20N2O3/c1-10-7-11(2)9-12(8-10)15-13(17)5-3-4-6-14(18)16-19/h7-9,19H,3-6H2,1-2H3,(H,15,17)(H,16,18)	PDB 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	30	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314134 (CHEMBL1093041 | N-(3-Ethylphenyl)-N'-hydroxyoctane...) Show SMILES CCc1cccc(NC(=O)CCCCC(=O)NO)c1 Show InChI InChI=1S/C14H20N2O3/c1-2-11-6-5-7-12(10-11)15-13(17)8-3-4-9-14(18)16-19/h5-7,10,19H,2-4,8-9H2,1H3,(H,15,17)(H,16,18)	PDB 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	35	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314135 (CHEMBL1093359 | N-(3,4-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1ccc(NC(=O)CCCCC(=O)NO)cc1C Show InChI InChI=1S/C14H20N2O3/c1-10-7-8-12(9-11(10)2)15-13(17)5-3-4-6-14(18)16-19/h7-9,19H,3-6H2,1-2H3,(H,15,17)(H,16,18)	PDB 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	56	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314136 (CHEMBL1089339 | N-Hydroxy-N'-(3-methylphenyl)octan...) Show SMILES Cc1cccc(NC(=O)CCCCC(=O)NO)c1 Show InChI InChI=1S/C13H18N2O3/c1-10-5-4-6-11(9-10)14-12(16)7-2-3-8-13(17)15-18/h4-6,9,18H,2-3,7-8H2,1H3,(H,14,16)(H,15,17)	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	57	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314136 (CHEMBL1089339 | N-Hydroxy-N'-(3-methylphenyl)octan...) Show SMILES Cc1cccc(NC(=O)CCCCC(=O)NO)c1 Show InChI InChI=1S/C13H18N2O3/c1-10-5-4-6-11(9-10)14-12(16)7-2-3-8-13(17)15-18/h4-6,9,18H,2-3,7-8H2,1H3,(H,14,16)(H,15,17)	PDB 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	58	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314137 (CHEMBL1091487 | N-Hydroxy-N'-(4-methoxyphenyl)octa...) Show SMILES COc1ccc(NC(=O)CCCCC(=O)NO)cc1 Show InChI InChI=1S/C13H18N2O4/c1-19-11-8-6-10(7-9-11)14-12(16)4-2-3-5-13(17)15-18/h6-9,18H,2-5H2,1H3,(H,14,16)(H,15,17)	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	71	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314138 (CHEMBL1092762 | N-Hydroxy-N'-(4-methylphenyl)octan...) Show SMILES Cc1ccc(NC(=O)CCCCC(=O)NO)cc1 Show InChI InChI=1S/C13H18N2O3/c1-10-6-8-11(9-7-10)14-12(16)4-2-3-5-13(17)15-18/h6-9,18H,2-5H2,1H3,(H,14,16)(H,15,17)	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	76	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314138 (CHEMBL1092762 | N-Hydroxy-N'-(4-methylphenyl)octan...) Show SMILES Cc1ccc(NC(=O)CCCCC(=O)NO)cc1 Show InChI InChI=1S/C13H18N2O3/c1-10-6-8-11(9-7-10)14-12(16)4-2-3-5-13(17)15-18/h6-9,18H,2-5H2,1H3,(H,14,16)(H,15,17)	PDB 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	114	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					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	119	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314137 (CHEMBL1091487 | N-Hydroxy-N'-(4-methoxyphenyl)octa...) Show SMILES COc1ccc(NC(=O)CCCCC(=O)NO)cc1 Show InChI InChI=1S/C13H18N2O4/c1-19-11-8-6-10(7-9-11)14-12(16)4-2-3-5-13(17)15-18/h6-9,18H,2-5H2,1H3,(H,14,16)(H,15,17)	PDB 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	137	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					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	147	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314139 (CHEMBL1093042 | N-(4-Ethylphenyl)-N'-hydroxyoctane...) Show SMILES CCc1ccc(NC(=O)CCCCC(=O)NO)cc1 Show InChI InChI=1S/C14H20N2O3/c1-2-11-7-9-12(10-8-11)15-13(17)5-3-4-6-14(18)16-19/h7-10,19H,2-6H2,1H3,(H,15,17)(H,16,18)	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	149	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1 (Homo sapiens (Human))	BDBM50236366 (CHEMBL4083038) Show SMILES Cn1c(cc2sccc12)C(=O)Nc1cccc(COc2ccc(OC3CCNCC3)cc2)c1 Show InChI InChI=1S/C26H27N3O3S/c1-29-23-11-14-33-25(23)16-24(29)26(30)28-19-4-2-3-18(15-19)17-31-20-5-7-21(8-6-20)32-22-9-12-27-13-10-22/h2-8,11,14-16,22,27H,9-10,12-13,17H2,1H3,(H,28,30)	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Displacement of specific [3H]- 5-HT binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells				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
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314139 (CHEMBL1093042 | N-(4-Ethylphenyl)-N'-hydroxyoctane...) Show SMILES CCc1ccc(NC(=O)CCCCC(=O)NO)cc1 Show InChI InChI=1S/C14H20N2O3/c1-2-11-7-9-12(10-8-11)15-13(17)5-3-4-6-14(18)16-19/h7-10,19H,2-6H2,1H3,(H,15,17)(H,16,18)	PDB 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	240	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1 (Homo sapiens (Human))	BDBM50236365 (CHEMBL4090002) Show SMILES CN1CCC(CC1)Oc1ccc(OCc2cccc(NC(=O)c3cc4sccc4n3C)c2)cc1 Show InChI InChI=1S/C27H29N3O3S/c1-29-13-10-23(11-14-29)33-22-8-6-21(7-9-22)32-18-19-4-3-5-20(16-19)28-27(31)25-17-26-24(30(25)2)12-15-34-26/h3-9,12,15-17,23H,10-11,13-14,18H2,1-2H3,(H,28,31)	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314140 (CHEMBL1076794 | N-Hydroxy-N'-(2-methylphenyl)octan...) Show SMILES Cc1ccccc1NC(=O)CCCCC(=O)NO Show InChI InChI=1S/C13H18N2O3/c1-10-6-2-3-7-11(10)14-12(16)8-4-5-9-13(17)15-18/h2-3,6-7,18H,4-5,8-9H2,1H3,(H,14,16)(H,15,17)	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	576	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314141 (CHEMBL1092032 | N-(2,4-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1ccc(NC(=O)CCCCC(=O)NO)c(C)c1 Show InChI InChI=1S/C14H20N2O3/c1-10-7-8-12(11(2)9-10)15-13(17)5-3-4-6-14(18)16-19/h7-9,19H,3-6H2,1-2H3,(H,15,17)(H,16,18)	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	638	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1 (Homo sapiens (Human))	BDBM50236401 (CHEMBL4066260) Show SMILES Cc1nc([nH]c(=O)c1C)-n1nc(cc1NC(=O)COc1ccccc1F)-c1cccs1 Show InChI InChI=1S/C21H18FN5O3S/c1-12-13(2)23-21(25-20(12)29)27-18(10-15(26-27)17-8-5-9-31-17)24-19(28)11-30-16-7-4-3-6-14(16)22/h3-10H,11H2,1-2H3,(H,24,28)(H,23,25,29)	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Displacement of specific [3H]- 5-HT binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells				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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50240772 ((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...) Show SMILES N[C@@H]1C[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	800	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 MAOB incubated for 15 mins measured after 30 mins by luminescence-Glo assay				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
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50240772 ((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...) Show SMILES N[C@@H]1C[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.06E+3	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 MAOA incubated for 15 mins measured after 30 mins by luminescence-Glo assay				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
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314141 (CHEMBL1092032 | N-(2,4-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1ccc(NC(=O)CCCCC(=O)NO)c(C)c1 Show InChI InChI=1S/C14H20N2O3/c1-10-7-8-12(11(2)9-10)15-13(17)5-3-4-6-14(18)16-19/h7-9,19H,3-6H2,1-2H3,(H,15,17)(H,16,18)	PDB 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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314142 (CHEMBL1093040 | N-(2-Ethylphenyl)-N'-hydroxyoctane...) Show SMILES CCc1ccccc1NC(=O)CCCCC(=O)NO Show InChI InChI=1S/C14H20N2O3/c1-2-11-7-3-4-8-12(11)15-13(17)9-5-6-10-14(18)16-19/h3-4,7-8,19H,2,5-6,9-10H2,1H3,(H,15,17)(H,16,18)	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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314143 (CHEMBL1093043 | N-(2,3-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1cccc(NC(=O)CCCCC(=O)NO)c1C Show InChI InChI=1S/C14H20N2O3/c1-10-6-5-7-12(11(10)2)15-13(17)8-3-4-9-14(18)16-19/h5-7,19H,3-4,8-9H2,1-2H3,(H,15,17)(H,16,18)	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	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314144 (CHEMBL1093357 | N-(2,5-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1ccc(C)c(NC(=O)CCCCC(=O)NO)c1 Show InChI InChI=1S/C14H20N2O3/c1-10-7-8-11(2)12(9-10)15-13(17)5-3-4-6-14(18)16-19/h7-9,19H,3-6H2,1-2H3,(H,15,17)(H,16,18)	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	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314144 (CHEMBL1093357 | N-(2,5-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1ccc(C)c(NC(=O)CCCCC(=O)NO)c1 Show InChI InChI=1S/C14H20N2O3/c1-10-7-8-11(2)12(9-10)15-13(17)5-3-4-6-14(18)16-19/h7-9,19H,3-6H2,1-2H3,(H,15,17)(H,16,18)	PDB 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	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314140 (CHEMBL1076794 | N-Hydroxy-N'-(2-methylphenyl)octan...) Show SMILES Cc1ccccc1NC(=O)CCCCC(=O)NO Show InChI InChI=1S/C13H18N2O3/c1-10-6-2-3-7-11(10)14-12(16)8-4-5-9-13(17)15-18/h2-3,6-7,18H,4-5,8-9H2,1H3,(H,14,16)(H,15,17)	PDB 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	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314143 (CHEMBL1093043 | N-(2,3-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1cccc(NC(=O)CCCCC(=O)NO)c1C Show InChI InChI=1S/C14H20N2O3/c1-10-6-5-7-12(11(10)2)15-13(17)8-3-4-9-14(18)16-19/h5-7,19H,3-4,8-9H2,1-2H3,(H,15,17)(H,16,18)	PDB 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	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor 1 (Homo sapiens (Human))	BDBM50236403 (CHEMBL4097156) Show SMILES CN1CCC(COc2cccc(NC(=O)c3cc4sccc4n3C)c2)CC1 Show InChI InChI=1S/C21H25N3O2S/c1-23-9-6-15(7-10-23)14-26-17-5-3-4-16(12-17)22-21(25)19-13-20-18(24(19)2)8-11-27-20/h3-5,8,11-13,15H,6-7,9-10,14H2,1-2H3,(H,22,25)	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	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
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314142 (CHEMBL1093040 | N-(2-Ethylphenyl)-N'-hydroxyoctane...) Show SMILES CCc1ccccc1NC(=O)CCCCC(=O)NO Show InChI InChI=1S/C14H20N2O3/c1-2-11-7-3-4-8-12(11)15-13(17)9-5-6-10-14(18)16-19/h3-4,7-8,19H,2,5-6,9-10H2,1H3,(H,15,17)(H,16,18)	PDB 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	2.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
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	n/a	n/a	2.90E+3	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 1...				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))	BDBM50236400 (CHEMBL4104004) Show SMILES Cc1oc(cc1C(=O)Nc1ccccc1)-c1ccc(Cl)cc1[N+]([O-])=O Show InChI InChI=1S/C18H13ClN2O4/c1-11-15(18(22)20-13-5-3-2-4-6-13)10-17(25-11)14-8-7-12(19)9-16(14)21(23)24/h2-10H,1H3,(H,20,22)	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	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 1...				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
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314145 (CHEMBL1093358 | N-(2,6-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1cccc(C)c1NC(=O)CCCCC(=O)NO Show InChI InChI=1S/C14H20N2O3/c1-10-6-5-7-11(2)14(10)15-12(17)8-3-4-9-13(18)16-19/h5-7,19H,3-4,8-9H2,1-2H3,(H,15,17)(H,16,18)	PDB 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	4.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
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	n/a	n/a	5.00E+3	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 1...				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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50236366 (CHEMBL4083038) Show SMILES Cn1c(cc2sccc12)C(=O)Nc1cccc(COc2ccc(OC3CCNCC3)cc2)c1 Show InChI InChI=1S/C26H27N3O3S/c1-29-23-11-14-33-25(23)16-24(29)26(30)28-19-4-2-3-18(15-19)17-31-20-5-7-21(8-6-20)32-22-9-12-27-13-10-22/h2-8,11,14-16,22,27H,9-10,12-13,17H2,1H3,(H,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.16E+3	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 MAOB incubated for 15 mins measured after 30 mins by luminescence-Glo assay				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/REST corepressor 1 (Homo sapiens (Human))	BDBM50236386 (CHEMBL4069834) Show SMILES Cn1c(cc2sccc12)C(=O)Nc1cccc(OCc2ccncc2)c1 Show InChI InChI=1S/C20H17N3O2S/c1-23-17-7-10-26-19(17)12-18(23)20(24)22-15-3-2-4-16(11-15)25-13-14-5-8-21-9-6-14/h2-12H,13H2,1H3,(H,22,24)	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20E+3	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
Lysine-specific histone demethylase 1A/REST corepressor 1 (Homo sapiens (Human))	BDBM50236437 (CHEMBL4074536) Show SMILES CSCc1cccc(NC(=O)c2cc3sccc3n2C)c1 Show InChI InChI=1S/C16H16N2OS2/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 UniChem Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Displacement of specific [3H]- 5-HT binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells				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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50236365 (CHEMBL4090002) Show SMILES CN1CCC(CC1)Oc1ccc(OCc2cccc(NC(=O)c3cc4sccc4n3C)c2)cc1 Show InChI InChI=1S/C27H29N3O3S/c1-29-13-10-23(11-14-29)33-22-8-6-21(7-9-22)32-18-19-4-3-5-20(16-19)28-27(31)25-17-26-24(30(25)2)12-15-34-26/h3-9,12,15-17,23H,10-11,13-14,18H2,1-2H3,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+3	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 MAOB incubated for 15 mins measured after 30 mins by luminescence-Glo assay				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/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	n/a	n/a	8.10E+3	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
Lysine-specific histone demethylase 1A/REST corepressor 1 (Homo sapiens (Human))	BDBM50240772 ((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...) Show SMILES N[C@@H]1C[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Binding affinity against human Alpha-1d adrenergic receptor				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/REST corepressor 1 (Homo sapiens (Human))	BDBM50236417 (CHEMBL4099319) Show SMILES CCn1c(cc2sccc12)C(=O)Nc1ccccc1 Show InChI InChI=1S/C15H14N2OS/c1-2-17-12-8-9-19-14(12)10-13(17)15(18)16-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,16,18)	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30E+3	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
Lysine-specific histone demethylase 1A/REST corepressor 1 (Homo sapiens (Human))	BDBM50236385 (CHEMBL4085095) Show SMILES Cn1c(cc2sccc12)C(=O)Nc1cccc(COc2ccncc2)c1 Show InChI InChI=1S/C20H17N3O2S/c1-23-17-7-10-26-19(17)12-18(23)20(24)22-15-4-2-3-14(11-15)13-25-16-5-8-21-9-6-16/h2-12H,13H2,1H3,(H,22,24)	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40E+3	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
Lysine-specific histone demethylase 1A/REST corepressor 1 (Homo sapiens (Human))	BDBM50236402 (CHEMBL4079138) Show SMILES Cn1c(cc2sccc12)C(=O)Nc1cccc(CN2CCOCC2)c1 Show InChI InChI=1S/C19H21N3O2S/c1-21-16-5-10-25-18(16)12-17(21)19(23)20-15-4-2-3-14(11-15)13-22-6-8-24-9-7-22/h2-5,10-12H,6-9,13H2,1H3,(H,20,23)	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+4	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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314145 (CHEMBL1093358 | N-(2,6-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1cccc(C)c1NC(=O)CCCCC(=O)NO Show InChI InChI=1S/C14H20N2O3/c1-10-6-5-7-11(2)14(10)15-12(17)8-3-4-9-13(18)16-19/h5-7,19H,3-4,8-9H2,1-2H3,(H,15,17)(H,16,18)	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	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
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	n/a	n/a	1.34E+4	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				3D Structure (crystal)

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