Compile Data Set for Download or QSAR

Found 391 hits with Last Name = 'agirre' and Initial = 'x'   

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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50105327 (JNJ-26481585 | Quisinostat) Show SMILES Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12 Show InChI InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length C-terminal FLAG His-tagged human HDAC1 expressed in baculovirus infected Sf21 insect cells using RHK-K(Ac)-AMC ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50105327 (JNJ-26481585 | Quisinostat) Show SMILES Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12 Show InChI InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length C-terminal GST fusion-tagged human HDAC2 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50281305 (CHEMBL4162206) Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)cc(nc2cc1OCCCN1CCCC1)C1CCCCC1 Show InChI InChI=1S/C31H48N4O2/c1-23(2)35-17-12-25(13-18-35)32-28-21-27(24-10-5-4-6-11-24)33-29-22-31(30(36-3)20-26(28)29)37-19-9-16-34-14-7-8-15-34/h20-25H,4-19H2,1-3H3,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Oviedo-Principado de Asturias Curated by ChEMBL					Assay Description Non-competitive inhibition of human G9a using biotinylated-H3K9 peptide as substrate after 1 hr in presence of 2 to 640 uM SAM by TR-FRET assay				J Med Chem 61: 6518-6545 (2018) Article DOI: 10.1021/acs.jmedchem.7b01926 BindingDB Entry DOI: 10.7270/Q23X895V
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50281300 (CHEMBL4170225) Show SMILES COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)[nH]1 Show InChI InChI=1S/C28H39N5O2/c1-20-7-8-23(29-20)26-18-24(30-21-9-14-32(2)15-10-21)22-17-27(34-3)28(19-25(22)31-26)35-16-6-13-33-11-4-5-12-33/h7-8,17-19,21,29H,4-6,9-16H2,1-3H3,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Oviedo-Principado de Asturias Curated by ChEMBL					Assay Description Inhibition of human G9a using biotinylated-H3K9 peptide as substrate after 1 hr in presence of SAM by TR-FRET assay				J Med Chem 61: 6518-6545 (2018) Article DOI: 10.1021/acs.jmedchem.7b01926 BindingDB Entry DOI: 10.7270/Q23X895V
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50281305 (CHEMBL4162206) Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)cc(nc2cc1OCCCN1CCCC1)C1CCCCC1 Show InChI InChI=1S/C31H48N4O2/c1-23(2)35-17-12-25(13-18-35)32-28-21-27(24-10-5-4-6-11-24)33-29-22-31(30(36-3)20-26(28)29)37-19-9-16-34-14-7-8-15-34/h20-25H,4-19H2,1-3H3,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Oviedo-Principado de Asturias Curated by ChEMBL					Assay Description Inhibition of human G9a using biotinylated-H3K9 peptide as substrate after 1 hr in presence of SAM by TR-FRET assay				J Med Chem 61: 6518-6545 (2018) Article DOI: 10.1021/acs.jmedchem.7b01926 BindingDB Entry DOI: 10.7270/Q23X895V
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50281305 (CHEMBL4162206) Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)cc(nc2cc1OCCCN1CCCC1)C1CCCCC1 Show InChI InChI=1S/C31H48N4O2/c1-23(2)35-17-12-25(13-18-35)32-28-21-27(24-10-5-4-6-11-24)33-29-22-31(30(36-3)20-26(28)29)37-19-9-16-34-14-7-8-15-34/h20-25H,4-19H2,1-3H3,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Oviedo-Principado de Asturias Curated by ChEMBL					Assay Description Competitive inhibition of human G9a using 40 to 2560 nM biotinylated-H3K9 peptide as substrate after 1 hr in presence of SAM by TR-FRET assay				J Med Chem 61: 6518-6545 (2018) Article DOI: 10.1021/acs.jmedchem.7b01926 BindingDB Entry DOI: 10.7270/Q23X895V
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50575637 (CHEMBL4845706) Show SMILES COc1cc2nc(cc(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)c2cc1OC)C1CCCCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length human C-terminal His-tagged/C-terminal Flag-tagged HDAC1 using fluorogenic acetylated peptide as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50281304 (CHEMBL4160008) Show SMILES CCc1ccc(o1)-c1cc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1 Show InChI InChI=1S/C29H40N4O3/c1-4-22-8-9-27(36-22)26-19-24(30-21-10-15-32(2)16-11-21)23-18-28(34-3)29(20-25(23)31-26)35-17-7-14-33-12-5-6-13-33/h8-9,18-21H,4-7,10-17H2,1-3H3,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Oviedo-Principado de Asturias Curated by ChEMBL					Assay Description Inhibition of human G9a using biotinylated-H3K9 peptide as substrate after 1 hr in presence of SAM by TR-FRET assay				J Med Chem 61: 6518-6545 (2018) Article DOI: 10.1021/acs.jmedchem.7b01926 BindingDB Entry DOI: 10.7270/Q23X895V
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50281311 (CHEMBL4159604) Show SMILES COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)C1CCCCC1 Show InChI InChI=1S/C29H44N4O2/c1-32-16-11-23(12-17-32)30-26-20-25(22-9-4-3-5-10-22)31-27-21-29(28(34-2)19-24(26)27)35-18-8-15-33-13-6-7-14-33/h19-23H,3-18H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Oviedo-Principado de Asturias Curated by ChEMBL					Assay Description Inhibition of human G9a using biotinylated-H3K9 peptide as substrate after 1 hr in presence of SAM by TR-FRET assay				J Med Chem 61: 6518-6545 (2018) Article DOI: 10.1021/acs.jmedchem.7b01926 BindingDB Entry DOI: 10.7270/Q23X895V
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50281304 (CHEMBL4160008) Show SMILES CCc1ccc(o1)-c1cc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1 Show InChI InChI=1S/C29H40N4O3/c1-4-22-8-9-27(36-22)26-19-24(30-21-10-15-32(2)16-11-21)23-18-28(34-3)29(20-25(23)31-26)35-17-7-14-33-12-5-6-13-33/h8-9,18-21H,4-7,10-17H2,1-3H3,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
WuXi Apptec (Tianjin) Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human G9a using biotinylated-H3K9 peptide as substrate after 1 hr in presence of SAM by TR-FRET assay				J Med Chem 61: 6546-6573 (2018) Article DOI: 10.1021/acs.jmedchem.7b01925 BindingDB Entry DOI: 10.7270/Q2BP05CM
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant HDAC3 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant HDAC1 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50442103 (CHEMBL2441082) Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCC(F)(F)CC1 Show InChI InChI=1S/C29H44F2N6O2/c1-21(2)36-14-7-22(8-15-36)32-27-23-19-25(38-3)26(39-18-6-13-35-11-4-5-12-35)20-24(23)33-28(34-27)37-16-9-29(30,31)10-17-37/h19-22H,4-18H2,1-3H3,(H,32,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<2.5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Oviedo-Principado de Asturias Curated by ChEMBL					Assay Description Inhibition of human G9a using biotinylated-H3K9 peptide as substrate after 1 hr in presence of SAM by TR-FRET assay				J Med Chem 61: 6518-6545 (2018) Article DOI: 10.1021/acs.jmedchem.7b01926 BindingDB Entry DOI: 10.7270/Q23X895V
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50575638 (CHEMBL4847870) Show SMILES COc1cc2nc(cc(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)c2cc1OC)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length human C-terminal His-tagged/C-terminal Flag-tagged HDAC1 using fluorogenic acetylated peptide as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50281296 (CHEMBL4173626) Show SMILES CCc1ccc(o1)-c1cc(NC2CCN(CC2)C(C)C)c2cc(OC)c(OCCCN3CCCC3)cc2n1 Show InChI InChI=1S/C31H44N4O3/c1-5-24-9-10-29(38-24)28-20-26(32-23-11-16-35(17-12-23)22(2)3)25-19-30(36-4)31(21-27(25)33-28)37-18-8-15-34-13-6-7-14-34/h9-10,19-23H,5-8,11-18H2,1-4H3,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Oviedo-Principado de Asturias Curated by ChEMBL					Assay Description Inhibition of human G9a using biotinylated-H3K9 peptide as substrate after 1 hr in presence of SAM by TR-FRET assay				J Med Chem 61: 6518-6545 (2018) Article DOI: 10.1021/acs.jmedchem.7b01926 BindingDB Entry DOI: 10.7270/Q23X895V
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50281303 (CHEMBL4171233) Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1 Show InChI InChI=1S/C30H42N4O3/c1-21(2)34-15-10-23(11-16-34)31-25-19-27(28-9-8-22(3)37-28)32-26-20-30(29(35-4)18-24(25)26)36-17-7-14-33-12-5-6-13-33/h8-9,18-21,23H,5-7,10-17H2,1-4H3,(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Oviedo-Principado de Asturias Curated by ChEMBL					Assay Description Inhibition of human G9a using biotinylated-H3K9 peptide as substrate after 1 hr in presence of SAM by TR-FRET assay				J Med Chem 61: 6518-6545 (2018) Article DOI: 10.1021/acs.jmedchem.7b01926 BindingDB Entry DOI: 10.7270/Q23X895V
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50575636 (CHEMBL4848955) Show SMILES COc1cc2nc(C)cc(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)c2cc1OC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length human C-terminal His-tagged/C-terminal Flag-tagged HDAC1 using fluorogenic acetylated peptide as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50575609 (CHEMBL4852593) Show SMILES COc1cc2c(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length human C-terminal His-tagged/C-terminal Flag-tagged HDAC1 using fluorogenic acetylated peptide as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50575639 (CHEMBL4858828) Show SMILES COc1cc2nc(cc(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)c2cc1OC)N1CCCCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length human C-terminal His-tagged/C-terminal Flag-tagged HDAC1 using fluorogenic acetylated peptide as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length human N-terminal GST-tagged HDAC6 using fluorogenic acetylated peptide as substrate incubated for 30 mins by fluorescence p...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50575621 (CHEMBL4865830) Show SMILES COc1cc2c(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)cc(C)nc2cc1OCCCN1CCCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human G9a enzyme using histone monomethyl-H3K9 peptide as substrate incubated for 1 hr in presence of SAM by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50105327 (JNJ-26481585 | Quisinostat) Show SMILES Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12 Show InChI InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human HDAC3 (1 to 428 residues)/N-terminal GST-tagged recombinant human NCoR2 (395 to 489 residues) c...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50575640 (CHEMBL4850570) Show SMILES COc1cc2nc(cc(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)c2cc1OC)-c1cc(C)oc1C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length human C-terminal His-tagged/C-terminal Flag-tagged HDAC1 using fluorogenic acetylated peptide as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50457750 (CHEMBL4211688) Show SMILES CCc1ccc(o1)-c1cc(NCC2C3CCC2CN(C)C3)c2cc(OC)c(OCCCN3CCCC3)cc2n1 Show InChI InChI=1S/C32H44N4O3/c1-4-24-10-11-30(39-24)29-17-27(33-19-26-22-8-9-23(26)21-35(2)20-22)25-16-31(37-3)32(18-28(25)34-29)38-15-7-14-36-12-5-6-13-36/h10-11,16-18,22-23,26H,4-9,12-15,19-21H2,1-3H3,(H,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
WuXi Apptec (Tianjin) Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human G9a using biotinylated-H3K9 peptide as substrate after 1 hr in presence of SAM by TR-FRET assay				J Med Chem 61: 6546-6573 (2018) Article DOI: 10.1021/acs.jmedchem.7b01925 BindingDB Entry DOI: 10.7270/Q2BP05CM
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50575609 (CHEMBL4852593) Show SMILES COc1cc2c(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length human C-terminal His-tagged HDAC3/human N-terminal GST-agged NCOR2 using fluorogenic acetylated peptide as substrate incuba...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50575623 (CHEMBL4876993) Show SMILES COc1cc2c(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)cc(nc2cc1OCC1CCNCC1)-c1ccc(C)o1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length human C-terminal His-tagged/C-terminal Flag-tagged HDAC1 using fluorogenic acetylated peptide as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50281281 (CHEMBL4163369) Show SMILES COc1cc2c(NC3CCN(C)CC3)cc(C)nc2cc1OCCCN1CCCC1 Show InChI InChI=1S/C24H36N4O2/c1-18-15-21(26-19-7-12-27(2)13-8-19)20-16-23(29-3)24(17-22(20)25-18)30-14-6-11-28-9-4-5-10-28/h15-17,19H,4-14H2,1-3H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Oviedo-Principado de Asturias Curated by ChEMBL					Assay Description Inhibition of human G9a using biotinylated-H3K9 peptide as substrate after 1 hr in presence of SAM by TR-FRET assay				J Med Chem 61: 6518-6545 (2018) Article DOI: 10.1021/acs.jmedchem.7b01926 BindingDB Entry DOI: 10.7270/Q23X895V
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50281307 (CHEMBL4163329) Show SMILES COc1cc2c(NC3CCNCC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1 Show InChI InChI=1S/C27H36N4O3/c1-19-6-7-25(34-19)24-17-22(29-20-8-10-28-11-9-20)21-16-26(32-2)27(18-23(21)30-24)33-15-5-14-31-12-3-4-13-31/h6-7,16-18,20,28H,3-5,8-15H2,1-2H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Oviedo-Principado de Asturias Curated by ChEMBL					Assay Description Inhibition of human G9a using biotinylated-H3K9 peptide as substrate after 1 hr in presence of SAM by TR-FRET assay				J Med Chem 61: 6518-6545 (2018) Article DOI: 10.1021/acs.jmedchem.7b01926 BindingDB Entry DOI: 10.7270/Q23X895V
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50281298 (CHEMBL4173668) Show SMILES COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)C1=CCCCC1 |t:33| Show InChI InChI=1S/C29H42N4O2/c1-32-16-11-23(12-17-32)30-26-20-25(22-9-4-3-5-10-22)31-27-21-29(28(34-2)19-24(26)27)35-18-8-15-33-13-6-7-14-33/h9,19-21,23H,3-8,10-18H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Oviedo-Principado de Asturias Curated by ChEMBL					Assay Description Inhibition of human G9a using biotinylated-H3K9 peptide as substrate after 1 hr in presence of SAM by TR-FRET assay				J Med Chem 61: 6518-6545 (2018) Article DOI: 10.1021/acs.jmedchem.7b01926 BindingDB Entry DOI: 10.7270/Q23X895V
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50281321 (CHEMBL4173662) Show SMILES COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccoc1 Show InChI InChI=1S/C27H36N4O3/c1-30-12-6-21(7-13-30)28-24-17-23(20-8-15-33-19-20)29-25-18-27(26(32-2)16-22(24)25)34-14-5-11-31-9-3-4-10-31/h8,15-19,21H,3-7,9-14H2,1-2H3,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Oviedo-Principado de Asturias Curated by ChEMBL					Assay Description Inhibition of human G9a using biotinylated-H3K9 peptide as substrate after 1 hr in presence of SAM by TR-FRET assay				J Med Chem 61: 6518-6545 (2018) Article DOI: 10.1021/acs.jmedchem.7b01926 BindingDB Entry DOI: 10.7270/Q23X895V
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50575621 (CHEMBL4865830) Show SMILES COc1cc2c(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)cc(C)nc2cc1OCCCN1CCCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length human C-terminal His-tagged/C-terminal Flag-tagged HDAC1 using fluorogenic acetylated peptide as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50457744 (CHEMBL4204482) Show SMILES COc1cc2c(NC3CC4(C3)CCN(CC4)C(C)C)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1 Show InChI InChI=1S/C33H46N4O3/c1-23(2)37-15-10-33(11-16-37)21-25(22-33)34-27-19-29(30-9-8-24(3)40-30)35-28-20-32(31(38-4)18-26(27)28)39-17-7-14-36-12-5-6-13-36/h8-9,18-20,23,25H,5-7,10-17,21-22H2,1-4H3,(H,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
WuXi Apptec (Tianjin) Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human G9a using biotinylated-H3K9 peptide as substrate after 1 hr in presence of SAM by TR-FRET assay				J Med Chem 61: 6546-6573 (2018) Article DOI: 10.1021/acs.jmedchem.7b01925 BindingDB Entry DOI: 10.7270/Q2BP05CM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50575642 (CHEMBL4854765) Show SMILES COc1cc2nc(nc(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)c2cc1OC)-c1ccc(C)o1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length human C-terminal His-tagged/C-terminal Flag-tagged HDAC1 using fluorogenic acetylated peptide as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50575624 (CHEMBL4856110) Show SMILES COc1cc2nc(cc(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)c2cc1OC)-c1ccc(C)o1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length human C-terminal His-tagged/C-terminal Flag-tagged HDAC1 using fluorogenic acetylated peptide as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50575636 (CHEMBL4848955) Show SMILES COc1cc2nc(C)cc(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)c2cc1OC Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human G9a enzyme using histone monomethyl-H3K9 peptide as substrate incubated for 1 hr in presence of SAM by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50457746 (CHEMBL4208004) Show SMILES COc1cc2c(NCC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1 Show InChI InChI=1S/C29H40N4O3/c1-21-7-8-27(36-21)26-18-24(30-20-22-9-14-32(2)15-10-22)23-17-28(34-3)29(19-25(23)31-26)35-16-6-13-33-11-4-5-12-33/h7-8,17-19,22H,4-6,9-16,20H2,1-3H3,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of G9a (unknown origin) by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50281297 (CHEMBL4170114) Show SMILES COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1 Show InChI InChI=1S/C28H38N4O3/c1-20-7-8-26(35-20)25-18-23(29-21-9-14-31(2)15-10-21)22-17-27(33-3)28(19-24(22)30-25)34-16-6-13-32-11-4-5-12-32/h7-8,17-19,21H,4-6,9-16H2,1-3H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human G9a enzyme using histone monomethyl-H3K9 peptide as substrate incubated for 1 hr in presence of SAM by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50281297 (CHEMBL4170114) Show SMILES COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1 Show InChI InChI=1S/C28H38N4O3/c1-20-7-8-26(35-20)25-18-23(29-21-9-14-31(2)15-10-21)22-17-27(33-3)28(19-24(22)30-25)34-16-6-13-32-11-4-5-12-32/h7-8,17-19,21H,4-6,9-16H2,1-3H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
WuXi Apptec (Tianjin) Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human G9a using biotinylated-H3K9 peptide as substrate after 1 hr in presence of SAM by TR-FRET assay				J Med Chem 61: 6546-6573 (2018) Article DOI: 10.1021/acs.jmedchem.7b01925 BindingDB Entry DOI: 10.7270/Q2BP05CM
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50281297 (CHEMBL4170114) Show SMILES COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1 Show InChI InChI=1S/C28H38N4O3/c1-20-7-8-26(35-20)25-18-23(29-21-9-14-31(2)15-10-21)22-17-27(33-3)28(19-24(22)30-25)34-16-6-13-32-11-4-5-12-32/h7-8,17-19,21H,4-6,9-16H2,1-3H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Oviedo-Principado de Asturias Curated by ChEMBL					Assay Description Inhibition of human G9a using biotinylated-H3K9 peptide as substrate after 1 hr in presence of SAM by TR-FRET assay				J Med Chem 61: 6518-6545 (2018) Article DOI: 10.1021/acs.jmedchem.7b01926 BindingDB Entry DOI: 10.7270/Q23X895V
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50575610 (CHEMBL4872188) Show SMILES COc1cc2c(NCc3ccc(cc3)C(=O)NO)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length human C-terminal His-tagged/C-terminal Flag-tagged HDAC1 using fluorogenic acetylated peptide as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50575642 (CHEMBL4854765) Show SMILES COc1cc2nc(nc(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)c2cc1OC)-c1ccc(C)o1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human DNMT1 enzyme using polydeoxy-inosine polydeoxy-cytosine DNA as substrate incubated for 15 mins in presence of SAM by TR-FRET assa...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50575624 (CHEMBL4856110) Show SMILES COc1cc2nc(cc(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)c2cc1OC)-c1ccc(C)o1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human G9a enzyme using histone monomethyl-H3K9 peptide as substrate incubated for 1 hr in presence of SAM by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50575625 (CHEMBL4862662) Show SMILES COc1cc2nc(cc(NC3CCN(CC3)c3ncc(cn3)C(=O)NO)c2cc1OC)-c1ccc(C)o1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human G9a enzyme using histone monomethyl-H3K9 peptide as substrate incubated for 1 hr in presence of SAM by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50575626 (CHEMBL4876823) Show SMILES COc1cc2nc(cc(NCC3C4CCC3CN(C4)c3ncc(cn3)C(=O)NO)c2cc1OC)-c1ccc(C)o1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human G9a enzyme using histone monomethyl-H3K9 peptide as substrate incubated for 1 hr in presence of SAM by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50575627 (CHEMBL4863394) Show SMILES COc1cc2nc(cc(NCc3ccc(cc3)C(=O)NO)c2cc1OC)-c1ccc(C)o1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human G9a enzyme using histone monomethyl-H3K9 peptide as substrate incubated for 1 hr in presence of SAM by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50575628 (CHEMBL4862781) Show SMILES COc1cc2nc(cc(NCC3CCC(CC3)C(=O)NO)c2cc1OC)-c1ccc(C)o1 |(18.22,-51.09,;18.22,-49.55,;19.56,-48.78,;20.89,-49.55,;22.22,-48.77,;23.56,-49.54,;24.89,-48.76,;24.88,-47.21,;23.55,-46.45,;23.54,-44.91,;24.87,-44.14,;26.21,-44.91,;26.2,-46.46,;27.53,-47.23,;28.87,-46.47,;28.87,-44.92,;27.54,-44.14,;30.2,-47.24,;30.19,-48.78,;31.53,-46.48,;32.87,-47.25,;22.22,-47.23,;20.89,-46.46,;19.56,-47.23,;18.21,-46.46,;16.88,-47.23,;26.23,-49.52,;27.63,-48.88,;28.67,-50.02,;27.91,-51.36,;28.54,-52.76,;26.4,-51.05,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human G9a enzyme using histone monomethyl-H3K9 peptide as substrate incubated for 1 hr in presence of SAM by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50575629 (CHEMBL4855823) Show SMILES COc1cc2nc(cc(NCc3ccc(cn3)C(=O)NO)c2cc1OC)-c1ccc(C)o1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human G9a enzyme using histone monomethyl-H3K9 peptide as substrate incubated for 1 hr in presence of SAM by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50575630 (CHEMBL4870578) Show SMILES COc1cc2nc(cc(NCC3CCN(Cc4ccc(cc4)C(=O)NO)CC3)c2cc1OC)-c1ccc(C)o1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human G9a enzyme using histone monomethyl-H3K9 peptide as substrate incubated for 1 hr in presence of SAM by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50575631 (CHEMBL4869419) Show SMILES COc1cc2nc(cc(NCC3CCN(Cc4ccc(s4)C(=O)NO)CC3)c2cc1OC)-c1ccc(C)o1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human G9a enzyme using histone monomethyl-H3K9 peptide as substrate incubated for 1 hr in presence of SAM by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50575632 (CHEMBL4874514) Show SMILES COc1cc2nc(cc(NCC3CCN(CC3)C3CC(C3)C(=O)NO)c2cc1OC)-c1ccc(C)o1 |(23.21,-8.51,;23.21,-6.97,;24.55,-6.2,;25.88,-6.97,;27.22,-6.2,;28.55,-6.96,;29.89,-6.19,;29.88,-4.64,;28.54,-3.88,;28.53,-2.34,;29.86,-1.56,;31.2,-2.33,;31.19,-3.89,;32.52,-4.66,;33.86,-3.89,;33.87,-2.35,;32.53,-1.57,;35.19,-4.67,;35.58,-6.17,;37.07,-5.77,;36.68,-4.28,;38.4,-6.55,;38.39,-8.09,;39.74,-5.78,;41.07,-6.56,;27.22,-4.65,;25.88,-3.89,;24.55,-4.66,;23.21,-3.89,;21.87,-4.66,;31.22,-6.95,;32.63,-6.31,;33.66,-7.45,;32.9,-8.78,;33.54,-10.19,;31.4,-8.47,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human G9a enzyme using histone monomethyl-H3K9 peptide as substrate incubated for 1 hr in presence of SAM by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02255 BindingDB Entry DOI: 10.7270/Q2JS9V8V
					More data for this Ligand-Target Pair

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