Compile Data Set for Download or QSAR

Found 151 hits with Last Name = 'legnaghi' and Initial = 'e'   

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/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/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
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)
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)
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
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)
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)
Lysine-specific histone demethylase 1A/REST corepressor 1 (Homo sapiens (Human))	BDBM50236451 (CHEMBL4080514) Show SMILES COCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC2CCCNCC2)cc1 Show InChI InChI=1S/C29H33N3O4S/c1-32-26-13-16-37-28(26)17-27(32)29(33)31-25-7-3-5-20(18-34-2)24(25)19-35-21-8-10-23(11-9-21)36-22-6-4-14-30-15-12-22/h3,5,7-11,13,16-17,22,30H,4,6,12,14-15,18-19H2,1-2H3,(H,31,33)	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
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/REST corepressor 1 (Homo sapiens (Human))	BDBM50236468 (CHEMBL4061143) Show SMILES CCOCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC2CCNCC2)cc1 Show InChI InChI=1S/C29H33N3O4S/c1-3-34-18-20-5-4-6-25(31-29(33)27-17-28-26(32(27)2)13-16-37-28)24(20)19-35-21-7-9-22(10-8-21)36-23-11-14-30-15-12-23/h4-10,13,16-17,23,30H,3,11-12,14-15,18-19H2,1-2H3,(H,31,33)	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia 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
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/REST corepressor 1 (Homo sapiens (Human))	BDBM50236459 (CHEMBL4100964) Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OC2CCCNCC2)cc1 Show InChI InChI=1S/C27H29N3O3S/c1-30-24-13-16-34-26(24)17-25(30)27(31)29-23-7-3-2-5-19(23)18-32-20-8-10-22(11-9-20)33-21-6-4-14-28-15-12-21/h2-3,5,7-11,13,16-17,21,28H,4,6,12,14-15,18H2,1H3,(H,29,31)	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	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/REST corepressor 1 (Homo sapiens (Human))	BDBM50236469 (CHEMBL4083022) Show SMILES Cn1c(cc2sccc12)C(=O)Nc1cccc(CN2CCOCC2)c1COc1ccc(OC2CCNCC2)cc1 Show InChI InChI=1S/C31H36N4O4S/c1-34-28-11-18-40-30(28)19-29(34)31(36)33-27-4-2-3-22(20-35-14-16-37-17-15-35)26(27)21-38-23-5-7-24(8-6-23)39-25-9-12-32-13-10-25/h2-8,11,18-19,25,32H,9-10,12-17,20-21H2,1H3,(H,33,36)	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	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/REST corepressor 1 (Homo sapiens (Human))	BDBM50236470 (CHEMBL4099458) Show SMILES CC(C)OCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC2CCNCC2)cc1 Show InChI InChI=1S/C30H35N3O4S/c1-20(2)35-18-21-5-4-6-26(32-30(34)28-17-29-27(33(28)3)13-16-38-29)25(21)19-36-22-7-9-23(10-8-22)37-24-11-14-31-15-12-24/h4-10,13,16-17,20,24,31H,11-12,14-15,18-19H2,1-3H3,(H,32,34)	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	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/REST corepressor 1 (Homo sapiens (Human))	BDBM50236467 (CHEMBL4073106) Show SMILES COCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC2CCNCC2)cc1 Show InChI InChI=1S/C28H31N3O4S/c1-31-25-12-15-36-27(25)16-26(31)28(32)30-24-5-3-4-19(17-33-2)23(24)18-34-20-6-8-21(9-7-20)35-22-10-13-29-14-11-22/h3-9,12,15-16,22,29H,10-11,13-14,17-18H2,1-2H3,(H,30,32)	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at striatal nerve endings by dopamine transporter				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/REST corepressor 1 (Homo sapiens (Human))	BDBM50236452 (CHEMBL4098535) 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-/m0/s1	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	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/REST corepressor 1 (Homo sapiens (Human))	BDBM50236443 (CHEMBL4082148) Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OC2CCNCC2)cc1 Show InChI InChI=1S/C26H27N3O3S/c1-29-23-12-15-33-25(23)16-24(29)26(30)28-22-5-3-2-4-18(22)17-31-19-6-8-20(9-7-19)32-21-10-13-27-14-11-21/h2-9,12,15-16,21,27H,10-11,13-14,17H2,1H3,(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	90	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/REST corepressor 1 (Homo sapiens (Human))	BDBM50236460 (CHEMBL4084510) Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(O[C@@H]2CC[C@H](N)CC2)cc1 |r,wU:25.27,28.31,(14.53,-17.47,;14.07,-18.95,;14.98,-20.18,;14.08,-21.43,;12.62,-20.96,;11.16,-21.45,;10.24,-20.21,;11.14,-18.95,;12.6,-19.42,;16.52,-20.17,;17.3,-21.5,;17.29,-18.83,;18.83,-18.83,;19.6,-20.16,;21.14,-20.15,;21.91,-18.81,;21.13,-17.48,;19.59,-17.49,;18.81,-16.16,;19.57,-14.82,;21.11,-14.81,;21.88,-13.48,;23.42,-13.47,;24.19,-14.8,;25.73,-14.79,;26.5,-13.45,;28.04,-13.44,;28.8,-12.1,;28.02,-10.77,;28.78,-9.43,;26.48,-10.78,;25.72,-12.12,;23.43,-16.13,;21.89,-16.14,)| Show InChI InChI=1S/C27H29N3O3S/c1-30-24-14-15-34-26(24)16-25(30)27(31)29-23-5-3-2-4-18(23)17-32-20-10-12-22(13-11-20)33-21-8-6-19(28)7-9-21/h2-5,10-16,19,21H,6-9,17,28H2,1H3,(H,29,31)/t19-,21+	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	121	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/REST corepressor 1 (Homo sapiens (Human))	BDBM50236461 (CHEMBL4062833) Show SMILES [H][C@]12CC[C@]([H])(CC(C1)Oc1ccc(OCc3ccccc3NC(=O)c3cc4sccc4n3C)cc1)N2 |r| Show InChI InChI=1S/C28H29N3O3S/c1-31-25-12-13-35-27(25)16-26(31)28(32)30-24-5-3-2-4-18(24)17-33-21-8-10-22(11-9-21)34-23-14-19-6-7-20(15-23)29-19/h2-5,8-13,16,19-20,23,29H,6-7,14-15,17H2,1H3,(H,30,32)/t19-,20+,23?	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	124	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/REST corepressor 1 (Homo sapiens (Human))	BDBM50236462 (CHEMBL4091932) Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OCC2CCNCC2)cc1 Show InChI InChI=1S/C27H29N3O3S/c1-30-24-12-15-34-26(24)16-25(30)27(31)29-23-5-3-2-4-20(23)18-33-22-8-6-21(7-9-22)32-17-19-10-13-28-14-11-19/h2-9,12,15-16,19,28H,10-11,13-14,17-18H2,1H3,(H,29,31)	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia 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
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/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
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 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/REST corepressor 1 (Homo sapiens (Human))	BDBM50236445 (CHEMBL4097729) Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1CCc1ccc(OC2CCNCC2)cc1 Show InChI InChI=1S/C27H29N3O2S/c1-30-24-14-17-33-26(24)18-25(30)27(31)29-23-5-3-2-4-20(23)9-6-19-7-10-21(11-8-19)32-22-12-15-28-16-13-22/h2-5,7-8,10-11,14,17-18,22,28H,6,9,12-13,15-16H2,1H3,(H,29,31)	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	177	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/REST corepressor 1 (Homo sapiens (Human))	BDBM50236499 (CHEMBL4085481) Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(C[C@H]2CCNC2)cc1 |r| Show InChI InChI=1S/C26H27N3O2S/c1-29-23-11-13-32-25(23)15-24(29)26(30)28-22-5-3-2-4-20(22)17-31-21-8-6-18(7-9-21)14-19-10-12-27-16-19/h2-9,11,13,15,19,27H,10,12,14,16-17H2,1H3,(H,28,30)/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	209	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at striatal nerve endings by dopamine transporter				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/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	n/a	n/a	310	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)
Lysine-specific histone demethylase 1A/REST corepressor 1 (Homo sapiens (Human))	BDBM50236446 (CHEMBL4070580) Show SMILES CN1CCC(CC1)Oc1ccc(COc2ccccc2NC(=O)c2cc3sccc3n2C)cc1 Show InChI InChI=1S/C27H29N3O3S/c1-29-14-11-21(12-15-29)33-20-9-7-19(8-10-20)18-32-25-6-4-3-5-22(25)28-27(31)24-17-26-23(30(24)2)13-16-34-26/h3-10,13,16-17,21H,11-12,14-15,18H2,1-2H3,(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	336	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/REST corepressor 1 (Homo sapiens (Human))	BDBM50236506 (CHEMBL4082560) Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(cc1)[C@H]1CC[C@H](N)CC1 |r,wU:29.33,wD:26.29,(11.03,-6.99,;10.59,-8.47,;11.52,-9.7,;10.64,-10.96,;9.16,-10.51,;7.71,-11.02,;6.78,-9.79,;7.66,-8.52,;9.13,-8.97,;13.06,-9.66,;13.8,-8.32,;13.85,-10.98,;13.11,-12.33,;11.57,-12.36,;10.82,-13.71,;11.62,-15.03,;13.16,-15,;13.91,-13.65,;15.44,-13.62,;16.19,-12.27,;17.73,-12.24,;18.47,-10.89,;20.01,-10.86,;20.81,-12.18,;20.07,-13.53,;18.53,-13.56,;22.32,-12.14,;23.11,-13.45,;24.62,-13.42,;25.36,-12.09,;26.88,-12.06,;24.58,-10.79,;23.05,-10.81,)| Show InChI InChI=1S/C27H29N3O2S/c1-30-24-14-15-33-26(24)16-25(30)27(31)29-23-5-3-2-4-20(23)17-32-22-12-8-19(9-13-22)18-6-10-21(28)11-7-18/h2-5,8-9,12-16,18,21H,6-7,10-11,17,28H2,1H3,(H,29,31)/t18-,21-	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	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/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
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 [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/REST corepressor 1 (Homo sapiens (Human))	BDBM50236508 (CHEMBL4060684) Show SMILES CCN1CCC(CC1)Oc1ccc(OCc2ccccc2NC(=O)c2cc3sccc3n2C)cc1 Show InChI InChI=1S/C28H31N3O3S/c1-3-31-15-12-23(13-16-31)34-22-10-8-21(9-11-22)33-19-20-6-4-5-7-24(20)29-28(32)26-18-27-25(30(26)2)14-17-35-27/h4-11,14,17-18,23H,3,12-13,15-16,19H2,1-2H3,(H,29,32)	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	451	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/REST corepressor 1 (Homo sapiens (Human))	BDBM50236501 (CHEMBL4090396) Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OCC2CNC2)cc1 Show InChI InChI=1S/C25H25N3O3S/c1-28-22-10-11-32-24(22)12-23(28)25(29)27-21-5-3-2-4-18(21)16-31-20-8-6-19(7-9-20)30-15-17-13-26-14-17/h2-12,17,26H,13-16H2,1H3,(H,27,29)	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	618	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/REST corepressor 1 (Homo sapiens (Human))	BDBM50236505 (CHEMBL4069361) Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OC2CCCNC2)cc1 Show InChI InChI=1S/C26H27N3O3S/c1-29-23-12-14-33-25(23)15-24(29)26(30)28-22-7-3-2-5-18(22)17-31-19-8-10-20(11-9-19)32-21-6-4-13-27-16-21/h2-3,5,7-12,14-15,21,27H,4,6,13,16-17H2,1H3,(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	674	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/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
Lysine-specific histone demethylase 1A/REST corepressor 1 (Homo sapiens (Human))	BDBM50236502 (CHEMBL4063458) Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OC2CCNC2)cc1 Show InChI InChI=1S/C25H25N3O3S/c1-28-22-11-13-32-24(22)14-23(28)25(29)27-21-5-3-2-4-17(21)16-30-18-6-8-19(9-7-18)31-20-10-12-26-15-20/h2-9,11,13-14,20,26H,10,12,15-16H2,1H3,(H,27,29)	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	804	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at striatal nerve endings by dopamine transporter				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/REST corepressor 1 (Homo sapiens (Human))	BDBM50236454 (CHEMBL4105450) Show SMILES CN1CCC(CC1)Oc1cccc(OCc2ccccc2NC(=O)c2cc3sccc3n2C)c1 Show InChI InChI=1S/C27H29N3O3S/c1-29-13-10-20(11-14-29)33-22-8-5-7-21(16-22)32-18-19-6-3-4-9-23(19)28-27(31)25-17-26-24(30(25)2)12-15-34-26/h3-9,12,15-17,20H,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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at striatal nerve endings by dopamine transporter				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] 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
Lysine-specific histone demethylase 1A/REST corepressor 1 (Homo sapiens (Human))	BDBM50236507 (CHEMBL4091316) Show SMILES CNCCCOc1ccc(OCc2ccccc2NC(=O)c2cc3sccc3n2C)cc1 Show InChI InChI=1S/C25H27N3O3S/c1-26-13-5-14-30-19-8-10-20(11-9-19)31-17-18-6-3-4-7-21(18)27-25(29)23-16-24-22(28(23)2)12-15-32-24/h3-4,6-12,15-16,26H,5,13-14,17H2,1-2H3,(H,27,29)	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+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 [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/REST corepressor 1 (Homo sapiens (Human))	BDBM50236448 (CHEMBL4101114) Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C25H26N4O2S/c1-28-22-10-15-32-24(22)16-23(28)25(30)27-21-5-3-2-4-18(21)17-31-20-8-6-19(7-9-20)29-13-11-26-12-14-29/h2-10,15-16,26H,11-14,17H2,1H3,(H,27,30)	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+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 [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/REST corepressor 1 (Homo sapiens (Human))	BDBM50236449 (CHEMBL4074371) Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1OCC1CCN(CC2CCNCC2)CC1 Show InChI InChI=1S/C26H34N4O2S/c1-29-22-10-15-33-25(22)16-23(29)26(31)28-21-4-2-3-5-24(21)32-18-20-8-13-30(14-9-20)17-19-6-11-27-12-7-19/h2-5,10,15-16,19-20,27H,6-9,11-14,17-18H2,1H3,(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	1.70E+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 [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/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
Lysine-specific histone demethylase 1A/REST corepressor 1 (Homo sapiens (Human))	BDBM50236450 (CHEMBL4092252) Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1C(=O)Nc1ccc(OC2CCNCC2)cc1 Show InChI InChI=1S/C26H26N4O3S/c1-30-22-12-15-34-24(22)16-23(30)26(32)29-21-5-3-2-4-20(21)25(31)28-17-6-8-18(9-7-17)33-19-10-13-27-14-11-19/h2-9,12,15-16,19,27H,10-11,13-14H2,1H3,(H,28,31)(H,29,32)	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 [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/REST corepressor 1 (Homo sapiens (Human))	BDBM50236510 (CHEMBL4071459) Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(NC2CCNCC2)cc1 Show InChI InChI=1S/C26H28N4O2S/c1-30-23-12-15-33-25(23)16-24(30)26(31)29-22-5-3-2-4-18(22)17-32-21-8-6-19(7-9-21)28-20-10-13-27-14-11-20/h2-9,12,15-16,20,27-28H,10-11,13-14,17H2,1H3,(H,29,31)	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+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 [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/REST corepressor 1 (Homo sapiens (Human))	BDBM50236442 (CHEMBL4061953) Show SMILES CN1CCC(CC1)Oc1ccc(OCc2ccc(NC(=O)c3cc4sccc4n3C)cc2)cc1 Show InChI InChI=1S/C27H29N3O3S/c1-29-14-11-23(12-15-29)33-22-9-7-21(8-10-22)32-18-19-3-5-20(6-4-19)28-27(31)25-17-26-24(30(25)2)13-16-34-26/h3-10,13,16-17,23H,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	n/a	n/a	2.50E+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 [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)
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))	BDBM50236500 (CHEMBL4100005) Show SMILES CN1CCN(Cc2ccc(OCc3ccccc3NC(=O)c3cc4sccc4n3C)cc2)CC1 Show InChI InChI=1S/C27H30N4O2S/c1-29-12-14-31(15-13-29)18-20-7-9-22(10-8-20)33-19-21-5-3-4-6-23(21)28-27(32)25-17-26-24(30(25)2)11-16-34-26/h3-11,16-17H,12-15,18-19H2,1-2H3,(H,28,32)	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 [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/REST corepressor 1 (Homo sapiens (Human))	BDBM50236464 (CHEMBL4072081) Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(CNC(N)=N)cc1 Show InChI InChI=1S/C23H23N5O2S/c1-28-19-10-11-31-21(19)12-20(28)22(29)27-18-5-3-2-4-16(18)14-30-17-8-6-15(7-9-17)13-26-23(24)25/h2-12H,13-14H2,1H3,(H,27,29)(H4,24,25,26)	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake at striatal nerve endings by serotonin transporter				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/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
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

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