Compile Data Set for Download or QSAR

Found 378 hits with Last Name = 'su' and Initial = 'mb'   

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))	BDBM50020912 (Largazole Thiol) Show SMILES [H][C@]1(CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@H](C(C)C)C(=O)O1)\C=C\CCS |r,t:13| Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17-,21+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Chinese National Center for Drug Screening Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay				ACS Med Chem Lett 5: 628-33 (2014) Article DOI: 10.1021/ml400470s BindingDB Entry DOI: 10.7270/Q2V40WRC
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50514463 (CHEMBL4460552) Show SMILES C[C@H](NC(=O)c1nc(sc1C1CC1)-c1ncc(s1)-c1ccccc1)c1ccc(cc1)C(=O)NO |r| Show InChI InChI=1S/C25H22N4O3S2/c1-14(15-7-11-18(12-8-15)22(30)29-32)27-23(31)20-21(17-9-10-17)34-25(28-20)24-26-13-19(33-24)16-5-3-2-4-6-16/h2-8,11-14,17,32H,9-10H2,1H3,(H,27,31)(H,29,30)/t14-/m0/s1	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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant His6/GST-tagged human HDAC6 expressed in baculovirus infected High5 insect cells using Boc-Lys(epsion-acetyl)-AMC as substr...				J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 BindingDB Entry DOI: 10.7270/Q21839VR
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50514461 (CHEMBL4443998) Show SMILES C[C@H](NC(=O)c1nc(sc1C1CC1)-c1ncc(s1)-c1ccc(F)cc1)c1ccc(cc1)C(=O)NO |r| Show InChI InChI=1S/C25H21FN4O3S2/c1-13(14-2-6-17(7-3-14)22(31)30-33)28-23(32)20-21(16-4-5-16)35-25(29-20)24-27-12-19(34-24)15-8-10-18(26)11-9-15/h2-3,6-13,16,33H,4-5H2,1H3,(H,28,32)(H,30,31)/t13-/m0/s1	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
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant His6/GST-tagged human HDAC6 expressed in baculovirus infected High5 insect cells using Boc-Lys(epsion-acetyl)-AMC as substr...				J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 BindingDB Entry DOI: 10.7270/Q21839VR
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50514463 (CHEMBL4460552) Show SMILES C[C@H](NC(=O)c1nc(sc1C1CC1)-c1ncc(s1)-c1ccccc1)c1ccc(cc1)C(=O)NO |r| Show InChI InChI=1S/C25H22N4O3S2/c1-14(15-7-11-18(12-8-15)22(30)29-32)27-23(31)20-21(17-9-10-17)34-25(28-20)24-26-13-19(33-24)16-5-3-2-4-6-16/h2-8,11-14,17,32H,9-10H2,1H3,(H,27,31)(H,29,30)/t14-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human His6/GST-tagged HDAC10 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC ...				J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 BindingDB Entry DOI: 10.7270/Q21839VR
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50278411 (CHEMBL4170367) Show SMILES Cl.[H][C@]12Cc3ccccc3[C@@]1([H])[C@@]2([H])N[C@H]1CC[C@H](N)CC1 |r,wU:18.20,wD:10.11,2.0,15.16,12.14,(38.29,-9.18,;30.02,-9.7,;28.54,-9.31,;27.64,-10.57,;26.17,-10.09,;24.84,-10.87,;23.5,-10.1,;23.5,-8.55,;24.83,-7.78,;26.17,-8.54,;27.63,-8.06,;27.62,-6.52,;29.16,-7.91,;30.49,-8.67,;30.41,-7,;31.75,-7.74,;31.78,-9.28,;33.11,-10.02,;34.43,-9.23,;35.77,-9.98,;34.4,-7.7,;33.06,-6.95,)| Show InChI InChI=1S/C16H22N2.ClH/c17-11-5-7-12(8-6-11)18-16-14-9-10-3-1-2-4-13(10)15(14)16;/h1-4,11-12,14-16,18H,5-9,17H2;1H/t11-,12-,14-,15+,16-;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His/GST-tagged LSD1 (172 to 852 residues) expressed in baculovirus infected insect cells using biotin-labe...				Eur J Med Chem 141: 101-112 (2017) Article DOI: 10.1016/j.ejmech.2017.09.073 BindingDB Entry DOI: 10.7270/Q2474DCP
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50514471 (CHEMBL4450360) Show SMILES COc1ccc(cc1)-c1cnc(s1)-c1nc(C(=O)N[C@@H](C)c2ccc(cc2)C(=O)NO)c(s1)C1CC1 |r| Show InChI InChI=1S/C26H24N4O4S2/c1-14(15-3-7-18(8-4-15)23(31)30-33)28-24(32)21-22(17-5-6-17)36-26(29-21)25-27-13-20(35-25)16-9-11-19(34-2)12-10-16/h3-4,7-14,17,33H,5-6H2,1-2H3,(H,28,32)(H,30,31)/t14-/m0/s1	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	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant His6/GST-tagged human HDAC6 expressed in baculovirus infected High5 insect cells using Boc-Lys(epsion-acetyl)-AMC as substr...				J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 BindingDB Entry DOI: 10.7270/Q21839VR
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50514461 (CHEMBL4443998) Show SMILES C[C@H](NC(=O)c1nc(sc1C1CC1)-c1ncc(s1)-c1ccc(F)cc1)c1ccc(cc1)C(=O)NO |r| Show InChI InChI=1S/C25H21FN4O3S2/c1-13(14-2-6-17(7-3-14)22(31)30-33)28-23(32)20-21(16-4-5-16)35-25(29-20)24-27-12-19(34-24)15-8-10-18(26)11-9-15/h2-3,6-13,16,33H,4-5H2,1H3,(H,28,32)(H,30,31)/t13-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant His6/GST-tagged human HDAC3 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC a...				J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 BindingDB Entry DOI: 10.7270/Q21839VR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50514461 (CHEMBL4443998) Show SMILES C[C@H](NC(=O)c1nc(sc1C1CC1)-c1ncc(s1)-c1ccc(F)cc1)c1ccc(cc1)C(=O)NO |r| Show InChI InChI=1S/C25H21FN4O3S2/c1-13(14-2-6-17(7-3-14)22(31)30-33)28-23(32)20-21(16-4-5-16)35-25(29-20)24-27-12-19(34-24)15-8-10-18(26)11-9-15/h2-3,6-13,16,33H,4-5H2,1H3,(H,28,32)(H,30,31)/t13-/m0/s1	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	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant His6/GST-tagged human HDAC1 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC a...				J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 BindingDB Entry DOI: 10.7270/Q21839VR
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50514463 (CHEMBL4460552) Show SMILES C[C@H](NC(=O)c1nc(sc1C1CC1)-c1ncc(s1)-c1ccccc1)c1ccc(cc1)C(=O)NO |r| Show InChI InChI=1S/C25H22N4O3S2/c1-14(15-7-11-18(12-8-15)22(30)29-32)27-23(31)20-21(17-9-10-17)34-25(28-20)24-26-13-19(33-24)16-5-3-2-4-6-16/h2-8,11-14,17,32H,9-10H2,1H3,(H,27,31)(H,29,30)/t14-/m0/s1	PDB 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
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant His6/GST-tagged human HDAC3 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC a...				J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 BindingDB Entry DOI: 10.7270/Q21839VR
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50020912 (Largazole Thiol) Show SMILES [H][C@]1(CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@H](C(C)C)C(=O)O1)\C=C\CCS |r,t:13| Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17-,21+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Chinese National Center for Drug Screening Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC3 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay				ACS Med Chem Lett 5: 628-33 (2014) Article DOI: 10.1021/ml400470s BindingDB Entry DOI: 10.7270/Q2V40WRC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50514471 (CHEMBL4450360) Show SMILES COc1ccc(cc1)-c1cnc(s1)-c1nc(C(=O)N[C@@H](C)c2ccc(cc2)C(=O)NO)c(s1)C1CC1 |r| Show InChI InChI=1S/C26H24N4O4S2/c1-14(15-3-7-18(8-4-15)23(31)30-33)28-24(32)21-22(17-5-6-17)36-26(29-21)25-27-13-20(35-25)16-9-11-19(34-2)12-10-16/h3-4,7-14,17,33H,5-6H2,1-2H3,(H,28,32)(H,30,31)/t14-/m0/s1	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	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant His6/GST-tagged human HDAC1 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC a...				J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 BindingDB Entry DOI: 10.7270/Q21839VR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50514463 (CHEMBL4460552) Show SMILES C[C@H](NC(=O)c1nc(sc1C1CC1)-c1ncc(s1)-c1ccccc1)c1ccc(cc1)C(=O)NO |r| Show InChI InChI=1S/C25H22N4O3S2/c1-14(15-7-11-18(12-8-15)22(30)29-32)27-23(31)20-21(17-9-10-17)34-25(28-20)24-26-13-19(33-24)16-5-3-2-4-6-16/h2-8,11-14,17,32H,9-10H2,1H3,(H,27,31)(H,29,30)/t14-/m0/s1	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	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant His6/GST-tagged human HDAC1 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC a...				J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 BindingDB Entry DOI: 10.7270/Q21839VR
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50514471 (CHEMBL4450360) Show SMILES COc1ccc(cc1)-c1cnc(s1)-c1nc(C(=O)N[C@@H](C)c2ccc(cc2)C(=O)NO)c(s1)C1CC1 |r| Show InChI InChI=1S/C26H24N4O4S2/c1-14(15-3-7-18(8-4-15)23(31)30-33)28-24(32)21-22(17-5-6-17)36-26(29-21)25-27-13-20(35-25)16-9-11-19(34-2)12-10-16/h3-4,7-14,17,33H,5-6H2,1-2H3,(H,28,32)(H,30,31)/t14-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant His6/GST-tagged human HDAC3 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC a...				J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 BindingDB Entry DOI: 10.7270/Q21839VR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50527733 (CHEMBL4552922) Show SMILES C[C@@](O)(C#Cc1ccc2CCN(c2c1)c1nc(N)ncc1Cl)c1nccs1 |r| Show InChI InChI=1S/C19H16ClN5OS/c1-19(26,17-22-7-9-27-17)6-4-12-2-3-13-5-8-25(15(13)10-12)16-14(20)11-23-18(21)24-16/h2-3,7,9-11,26H,5,8H2,1H3,(H2,21,23,24)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human NIK using ATP as substrate by kinase-glo assay				J Med Chem 63: 4388-4407 (2020) Article DOI: 10.1021/acs.jmedchem.0c00396 BindingDB Entry DOI: 10.7270/Q2B85CKJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant His6/GST-tagged human HDAC3 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC a...				J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 BindingDB Entry DOI: 10.7270/Q21839VR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50527759 (CHEMBL4448524) Show SMILES CN1CCC(O)(C#Cc2ccc(F)c(c2)-c2c[nH]c3cnc(N)nc23)C1=O Show InChI InChI=1S/C19H16FN5O2/c1-25-7-6-19(27,17(25)26)5-4-11-2-3-14(20)12(8-11)13-9-22-15-10-23-18(21)24-16(13)15/h2-3,8-10,22,27H,6-7H2,1H3,(H2,21,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su...				J Med Chem 63: 4388-4407 (2020) Article DOI: 10.1021/acs.jmedchem.0c00396 BindingDB Entry DOI: 10.7270/Q2B85CKJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (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	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant His6/GST-tagged human HDAC6 expressed in baculovirus infected High5 insect cells using Boc-Lys(epsion-acetyl)-AMC as substr...				J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 BindingDB Entry DOI: 10.7270/Q21839VR
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50278459 (CHEMBL4176756) Show SMILES Cl.[H][C@]12Cc3ccccc3[C@@]1([H])[C@@]2([H])N[C@@H]1CC[C@H](N)CC1 |r,wD:10.11,2.0,15.16,18.20,12.14,(41.3,-22.41,;36.24,-22.94,;34.76,-22.56,;33.86,-23.81,;32.39,-23.33,;31.06,-24.11,;29.72,-23.34,;29.72,-21.79,;31.05,-21.03,;32.39,-21.79,;33.86,-21.31,;33.84,-19.76,;35.39,-21.15,;36.03,-19.77,;36.92,-21.01,;37.69,-22.33,;39.22,-22.33,;39.99,-23.66,;39.22,-24.99,;39.99,-26.32,;37.69,-24.99,;36.92,-23.67,)| Show InChI InChI=1S/C16H22N2.ClH/c17-11-5-7-12(8-6-11)18-16-14-9-10-3-1-2-4-13(10)15(14)16;/h1-4,11-12,14-16,18H,5-9,17H2;1H/t11-,12+,14-,15+,16-;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His/GST-tagged LSD1 (172 to 852 residues) expressed in baculovirus infected insect cells using biotin-labe...				Eur J Med Chem 141: 101-112 (2017) Article DOI: 10.1016/j.ejmech.2017.09.073 BindingDB Entry DOI: 10.7270/Q2474DCP
					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	7	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant His6/GST-tagged human HDAC1 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC a...				J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 BindingDB Entry DOI: 10.7270/Q21839VR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50527726 (CHEMBL4445719) Show SMILES C[C@@](O)(C#Cc1ccc(F)c(c1)-c1c[nH]c2cnc(N)nc12)c1nccs1 |r| Show InChI InChI=1S/C19H14FN5OS/c1-19(26,17-22-6-7-27-17)5-4-11-2-3-14(20)12(8-11)13-9-23-15-10-24-18(21)25-16(13)15/h2-3,6-10,23,26H,1H3,(H2,21,24,25)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su...				J Med Chem 63: 4388-4407 (2020) Article DOI: 10.1021/acs.jmedchem.0c00396 BindingDB Entry DOI: 10.7270/Q2B85CKJ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50020910 (CHEMBL3287268 | US9216962, CFH395) Show SMILES CC(C)\C=C\c1sc(nc1C(=O)NCCCCC(=O)NO)-c1nccs1 Show InChI InChI=1S/C17H22N4O3S2/c1-11(2)6-7-12-14(20-17(26-12)16-19-9-10-25-16)15(23)18-8-4-3-5-13(22)21-24/h6-7,9-11,24H,3-5,8H2,1-2H3,(H,18,23)(H,21,22)/b7-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Chinese National Center for Drug Screening Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay				ACS Med Chem Lett 5: 628-33 (2014) Article DOI: 10.1021/ml400470s BindingDB Entry DOI: 10.7270/Q2V40WRC
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50151278 (CHEMBL3769815) Show SMILES FC(F)(F)C(=O)CCCNC(=O)c1nc(sc1C1CC1)-c1nccs1 Show InChI InChI=1S/C15H14F3N3O2S2/c16-15(17,18)9(22)2-1-5-19-12(23)10-11(8-3-4-8)25-14(21-10)13-20-6-7-24-13/h6-8H,1-5H2,(H,19,23)	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	>10	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of full length His6-tagged GST-fused recombinant human HDAC6 expressed in High5 insect cells using Boc-Lys (e-acetyl)-AMC as substrate aft...				Eur J Med Chem 112: 81-90 (2016) Article DOI: 10.1016/j.ejmech.2016.02.003 BindingDB Entry DOI: 10.7270/Q2ZS2ZDZ
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (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+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human His6/GST-tagged HDAC10 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC ...				J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 BindingDB Entry DOI: 10.7270/Q21839VR
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50514470 (CHEMBL4584020) Show SMILES C[C@H](NC(=O)c1nc(sc1C1CC1)-c1nc2CCCCc2s1)c1ccc(cc1)C(=O)NO |r| Show InChI InChI=1S/C23H24N4O3S2/c1-12(13-6-10-15(11-7-13)20(28)27-30)24-21(29)18-19(14-8-9-14)32-23(26-18)22-25-16-4-2-3-5-17(16)31-22/h6-7,10-12,14,30H,2-5,8-9H2,1H3,(H,24,29)(H,27,28)/t12-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant His6/GST-tagged human HDAC3 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC a...				J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 BindingDB Entry DOI: 10.7270/Q21839VR
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50514463 (CHEMBL4460552) Show SMILES C[C@H](NC(=O)c1nc(sc1C1CC1)-c1ncc(s1)-c1ccccc1)c1ccc(cc1)C(=O)NO |r| Show InChI InChI=1S/C25H22N4O3S2/c1-14(15-7-11-18(12-8-15)22(30)29-32)27-23(31)20-21(17-9-10-17)34-25(28-20)24-26-13-19(33-24)16-5-3-2-4-6-16/h2-8,11-14,17,32H,9-10H2,1H3,(H,27,31)(H,29,30)/t14-/m0/s1	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human His6/GST-tagged HDAC2 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC a...				J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 BindingDB Entry DOI: 10.7270/Q21839VR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50322422 (CHEMBL1173445 | Largazole) Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26| Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Chinese National Center for Drug Screening Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay				ACS Med Chem Lett 5: 628-33 (2014) Article DOI: 10.1021/ml400470s BindingDB Entry DOI: 10.7270/Q2V40WRC
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His/GST-tagged LSD1 (172 to 852 residues) expressed in baculovirus infected insect cells using biotin-labe...				Eur J Med Chem 141: 101-112 (2017) Article DOI: 10.1016/j.ejmech.2017.09.073 BindingDB Entry DOI: 10.7270/Q2474DCP
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50514462 (CHEMBL4538450) Show SMILES CC(C)[C@H](NC(=O)c1nc(sc1C1CC1)-c1nccs1)c1ccc(cc1)C(=O)NO |r| Show InChI InChI=1S/C21H22N4O3S2/c1-11(2)15(12-3-7-14(8-4-12)18(26)25-28)23-19(27)16-17(13-5-6-13)30-21(24-16)20-22-9-10-29-20/h3-4,7-11,13,15,28H,5-6H2,1-2H3,(H,23,27)(H,25,26)/t15-/m0/s1	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant His6/GST-tagged human HDAC6 expressed in baculovirus infected High5 insect cells using Boc-Lys(epsion-acetyl)-AMC as substr...				J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 BindingDB Entry DOI: 10.7270/Q21839VR
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50514467 (CHEMBL4476497) Show SMILES C[C@H](NC(=O)c1nc(sc1C1CC1)-c1nccs1)c1ccc(cc1)C(=O)NO |r| Show InChI InChI=1S/C19H18N4O3S2/c1-10(11-2-6-13(7-3-11)16(24)23-26)21-17(25)14-15(12-4-5-12)28-19(22-14)18-20-8-9-27-18/h2-3,6-10,12,26H,4-5H2,1H3,(H,21,25)(H,23,24)/t10-/m0/s1	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant His6/GST-tagged human HDAC6 expressed in baculovirus infected High5 insect cells using Boc-Lys(epsion-acetyl)-AMC as substr...				J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 BindingDB Entry DOI: 10.7270/Q21839VR
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50514460 (CHEMBL4577858) Show SMILES C[C@H](NC(=O)c1nc(sc1C1CC1)-c1nc(C)cs1)c1ccc(cc1)C(=O)NO |r| Show InChI InChI=1S/C20H20N4O3S2/c1-10-9-28-19(21-10)20-23-15(16(29-20)13-5-6-13)18(26)22-11(2)12-3-7-14(8-4-12)17(25)24-27/h3-4,7-9,11,13,27H,5-6H2,1-2H3,(H,22,26)(H,24,25)/t11-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant His6/GST-tagged human HDAC3 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC a...				J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 BindingDB Entry DOI: 10.7270/Q21839VR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50527733 (CHEMBL4552922) Show SMILES C[C@@](O)(C#Cc1ccc2CCN(c2c1)c1nc(N)ncc1Cl)c1nccs1 |r| Show InChI InChI=1S/C19H16ClN5OS/c1-19(26,17-22-7-9-27-17)6-4-12-2-3-13-5-8-25(15(13)10-12)16-14(20)11-23-18(21)24-16/h2-3,7,9-11,26H,5,8H2,1H3,(H2,21,23,24)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as su...				J Med Chem 63: 4388-4407 (2020) Article DOI: 10.1021/acs.jmedchem.0c00396 BindingDB Entry DOI: 10.7270/Q2B85CKJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50514470 (CHEMBL4584020) Show SMILES C[C@H](NC(=O)c1nc(sc1C1CC1)-c1nc2CCCCc2s1)c1ccc(cc1)C(=O)NO |r| Show InChI InChI=1S/C23H24N4O3S2/c1-12(13-6-10-15(11-7-13)20(28)27-30)24-21(29)18-19(14-8-9-14)32-23(26-18)22-25-16-4-2-3-5-17(16)31-22/h6-7,10-12,14,30H,2-5,8-9H2,1H3,(H,24,29)(H,27,28)/t12-/m0/s1	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant His6/GST-tagged human HDAC1 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC a...				J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 BindingDB Entry DOI: 10.7270/Q21839VR
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50514465 (CHEMBL4515845) Show SMILES ONC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1nc(sc1C1CC1)-c1nccs1 Show InChI InChI=1S/C20H18N4O3S2/c25-16(24-27)12-3-5-13(6-4-12)20(7-8-20)23-17(26)14-15(11-1-2-11)29-19(22-14)18-21-9-10-28-18/h3-6,9-11,27H,1-2,7-8H2,(H,23,26)(H,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant His6/GST-tagged human HDAC3 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC a...				J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 BindingDB Entry DOI: 10.7270/Q21839VR
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50514469 (CHEMBL4435503) Show SMILES C[C@H](NC(=O)c1nc(sc1C1CC1)-c1ncc(C)s1)c1ccc(cc1)C(=O)NO |r| Show InChI InChI=1S/C20H20N4O3S2/c1-10-9-21-19(28-10)20-23-15(16(29-20)13-5-6-13)18(26)22-11(2)12-3-7-14(8-4-12)17(25)24-27/h3-4,7-9,11,13,27H,5-6H2,1-2H3,(H,22,26)(H,24,25)/t11-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant His6/GST-tagged human HDAC3 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC a...				J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 BindingDB Entry DOI: 10.7270/Q21839VR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50514460 (CHEMBL4577858) Show SMILES C[C@H](NC(=O)c1nc(sc1C1CC1)-c1nc(C)cs1)c1ccc(cc1)C(=O)NO |r| Show InChI InChI=1S/C20H20N4O3S2/c1-10-9-28-19(21-10)20-23-15(16(29-20)13-5-6-13)18(26)22-11(2)12-3-7-14(8-4-12)17(25)24-27/h3-4,7-9,11,13,27H,5-6H2,1-2H3,(H,22,26)(H,24,25)/t11-/m0/s1	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant His6/GST-tagged human HDAC1 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC a...				J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 BindingDB Entry DOI: 10.7270/Q21839VR
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50514463 (CHEMBL4460552) Show SMILES C[C@H](NC(=O)c1nc(sc1C1CC1)-c1ncc(s1)-c1ccccc1)c1ccc(cc1)C(=O)NO |r| Show InChI InChI=1S/C25H22N4O3S2/c1-14(15-7-11-18(12-8-15)22(30)29-32)27-23(31)20-21(17-9-10-17)34-25(28-20)24-26-13-19(33-24)16-5-3-2-4-6-16/h2-8,11-14,17,32H,9-10H2,1H3,(H,27,31)(H,29,30)/t14-/m0/s1	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human His6/GST-tagged HDAC8 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC a...				J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 BindingDB Entry DOI: 10.7270/Q21839VR
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50514465 (CHEMBL4515845) Show SMILES ONC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1nc(sc1C1CC1)-c1nccs1 Show InChI InChI=1S/C20H18N4O3S2/c25-16(24-27)12-3-5-13(6-4-12)20(7-8-20)23-17(26)14-15(11-1-2-11)29-19(22-14)18-21-9-10-28-18/h3-6,9-11,27H,1-2,7-8H2,(H,23,26)(H,24,25)	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant His6/GST-tagged human HDAC6 expressed in baculovirus infected High5 insect cells using Boc-Lys(epsion-acetyl)-AMC as substr...				J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 BindingDB Entry DOI: 10.7270/Q21839VR
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50278460 (CHEMBL4166129) Show SMILES Cl.[H][C@]12Cc3ccccc3[C@@]1([H])[C@]2([H])N[C@@H]1CC[C@H](N)CC1 |r,wU:12.14,wD:10.11,2.0,15.16,18.20,(41.3,-22.41,;36.24,-22.94,;34.76,-22.56,;33.86,-23.81,;32.39,-23.33,;31.06,-24.11,;29.72,-23.34,;29.72,-21.79,;31.05,-21.03,;32.39,-21.79,;33.86,-21.31,;33.84,-19.76,;35.39,-21.15,;36.03,-19.77,;36.92,-21.01,;37.69,-22.33,;39.22,-22.33,;39.99,-23.66,;39.22,-24.99,;39.99,-26.32,;37.69,-24.99,;36.92,-23.67,)| Show InChI InChI=1S/C16H22N2.ClH/c17-11-5-7-12(8-6-11)18-16-14-9-10-3-1-2-4-13(10)15(14)16;/h1-4,11-12,14-16,18H,5-9,17H2;1H/t11-,12+,14-,15+,16+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His/GST-tagged LSD1 (172 to 852 residues) expressed in baculovirus infected insect cells using biotin-labe...				Eur J Med Chem 141: 101-112 (2017) Article DOI: 10.1016/j.ejmech.2017.09.073 BindingDB Entry DOI: 10.7270/Q2474DCP
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50151281 (CHEMBL3770504) Show SMILES FC(F)(F)C(=O)CCCCNC(=O)c1nc(sc1C1CC1)-c1nc2CCCCc2s1 Show InChI InChI=1S/C20H22F3N3O2S2/c21-20(22,23)14(27)7-3-4-10-24-17(28)15-16(11-8-9-11)30-19(26-15)18-25-12-5-1-2-6-13(12)29-18/h11H,1-10H2,(H,24,28)	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	18	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of full length His6-tagged GST-fused recombinant human HDAC6 expressed in High5 insect cells using Boc-Lys (e-acetyl)-AMC as substrate aft...				Eur J Med Chem 112: 81-90 (2016) Article DOI: 10.1016/j.ejmech.2016.02.003 BindingDB Entry DOI: 10.7270/Q2ZS2ZDZ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50514470 (CHEMBL4584020) Show SMILES C[C@H](NC(=O)c1nc(sc1C1CC1)-c1nc2CCCCc2s1)c1ccc(cc1)C(=O)NO |r| Show InChI InChI=1S/C23H24N4O3S2/c1-12(13-6-10-15(11-7-13)20(28)27-30)24-21(29)18-19(14-8-9-14)32-23(26-18)22-25-16-4-2-3-5-17(16)31-22/h6-7,10-12,14,30H,2-5,8-9H2,1H3,(H,24,29)(H,27,28)/t12-/m0/s1	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	18	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant His6/GST-tagged human HDAC6 expressed in baculovirus infected High5 insect cells using Boc-Lys(epsion-acetyl)-AMC as substr...				J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 BindingDB Entry DOI: 10.7270/Q21839VR
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50514469 (CHEMBL4435503) Show SMILES C[C@H](NC(=O)c1nc(sc1C1CC1)-c1ncc(C)s1)c1ccc(cc1)C(=O)NO |r| Show InChI InChI=1S/C20H20N4O3S2/c1-10-9-21-19(28-10)20-23-15(16(29-20)13-5-6-13)18(26)22-11(2)12-3-7-14(8-4-12)17(25)24-27/h3-4,7-9,11,13,27H,5-6H2,1-2H3,(H,22,26)(H,24,25)/t11-/m0/s1	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	19	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant His6/GST-tagged human HDAC6 expressed in baculovirus infected High5 insect cells using Boc-Lys(epsion-acetyl)-AMC as substr...				J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 BindingDB Entry DOI: 10.7270/Q21839VR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50151281 (CHEMBL3770504) Show SMILES FC(F)(F)C(=O)CCCCNC(=O)c1nc(sc1C1CC1)-c1nc2CCCCc2s1 Show InChI InChI=1S/C20H22F3N3O2S2/c21-20(22,23)14(27)7-3-4-10-24-17(28)15-16(11-8-9-11)30-19(26-15)18-25-12-5-1-2-6-13(12)29-18/h11H,1-10H2,(H,24,28)	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	19	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of full length His6-tagged GST-fused recombinant human HDAC1 expressed in High5 insect cells using Ac-Lys-Tyr-Lys (e-acetyl)-AMC as substr...				Eur J Med Chem 112: 81-90 (2016) Article DOI: 10.1016/j.ejmech.2016.02.003 BindingDB Entry DOI: 10.7270/Q2ZS2ZDZ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50514460 (CHEMBL4577858) Show SMILES C[C@H](NC(=O)c1nc(sc1C1CC1)-c1nc(C)cs1)c1ccc(cc1)C(=O)NO |r| Show InChI InChI=1S/C20H20N4O3S2/c1-10-9-28-19(21-10)20-23-15(16(29-20)13-5-6-13)18(26)22-11(2)12-3-7-14(8-4-12)17(25)24-27/h3-4,7-9,11,13,27H,5-6H2,1-2H3,(H,22,26)(H,24,25)/t11-/m0/s1	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	19	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant His6/GST-tagged human HDAC6 expressed in baculovirus infected High5 insect cells using Boc-Lys(epsion-acetyl)-AMC as substr...				J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 BindingDB Entry DOI: 10.7270/Q21839VR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50514469 (CHEMBL4435503) Show SMILES C[C@H](NC(=O)c1nc(sc1C1CC1)-c1ncc(C)s1)c1ccc(cc1)C(=O)NO |r| Show InChI InChI=1S/C20H20N4O3S2/c1-10-9-21-19(28-10)20-23-15(16(29-20)13-5-6-13)18(26)22-11(2)12-3-7-14(8-4-12)17(25)24-27/h3-4,7-9,11,13,27H,5-6H2,1-2H3,(H,22,26)(H,24,25)/t11-/m0/s1	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant His6/GST-tagged human HDAC1 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC a...				J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 BindingDB Entry DOI: 10.7270/Q21839VR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50020908 (CHEMBL3287266 | US9216962, CFH367) Show SMILES C\C=C\c1sc(nc1C(=O)NCCCCC(=O)NO)-c1nccs1 Show InChI InChI=1S/C15H18N4O3S2/c1-2-5-10-12(18-15(24-10)14-17-8-9-23-14)13(21)16-7-4-3-6-11(20)19-22/h2,5,8-9,22H,3-4,6-7H2,1H3,(H,16,21)(H,19,20)/b5-2+	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Chinese National Center for Drug Screening Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay				ACS Med Chem Lett 5: 628-33 (2014) Article DOI: 10.1021/ml400470s BindingDB Entry DOI: 10.7270/Q2V40WRC
					More data for this Ligand-Target Pair
Histone deacetylase 8 (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	20	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human His6/GST-tagged HDAC8 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC a...				J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 BindingDB Entry DOI: 10.7270/Q21839VR
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50151281 (CHEMBL3770504) Show SMILES FC(F)(F)C(=O)CCCCNC(=O)c1nc(sc1C1CC1)-c1nc2CCCCc2s1 Show InChI InChI=1S/C20H22F3N3O2S2/c21-20(22,23)14(27)7-3-4-10-24-17(28)15-16(11-8-9-11)30-19(26-15)18-25-12-5-1-2-6-13(12)29-18/h11H,1-10H2,(H,24,28)	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	21	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of full length His6-tagged GST-fused recombinant human HDAC3 expressed in High5 insect cells using Ac-Lys-Tyr-Lys (e-acetyl)-AMC as substr...				Eur J Med Chem 112: 81-90 (2016) Article DOI: 10.1016/j.ejmech.2016.02.003 BindingDB Entry DOI: 10.7270/Q2ZS2ZDZ
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50278484 (CHEMBL4170687) Show SMILES Cl.[H][C@]12Cc3ccccc3[C@@]1([H])[C@H]2NCC1CCNCC1 |r| Show InChI InChI=1S/C16H22N2.ClH/c1-2-4-13-12(3-1)9-14-15(13)16(14)18-10-11-5-7-17-8-6-11;/h1-4,11,14-18H,5-10H2;1H/t14-,15+,16-;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His/GST-tagged LSD1 (172 to 852 residues) expressed in baculovirus infected insect cells using biotin-labe...				Eur J Med Chem 141: 101-112 (2017) Article DOI: 10.1016/j.ejmech.2017.09.073 BindingDB Entry DOI: 10.7270/Q2474DCP
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50151277 (CHEMBL3770287) Show SMILES FC(F)(F)C(=O)CCCCNC(=O)c1nc(sc1C1CC1)-c1nccs1 Show InChI InChI=1S/C16H16F3N3O2S2/c17-16(18,19)10(23)3-1-2-6-20-13(24)11-12(9-4-5-9)26-15(22-11)14-21-7-8-25-14/h7-9H,1-6H2,(H,20,24)	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	21	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of full length His6-tagged GST-fused recombinant human HDAC6 expressed in High5 insect cells using Boc-Lys (e-acetyl)-AMC as substrate aft...				Eur J Med Chem 112: 81-90 (2016) Article DOI: 10.1016/j.ejmech.2016.02.003 BindingDB Entry DOI: 10.7270/Q2ZS2ZDZ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM197366 (US9216962, CFH401) Show SMILES ONC(=O)c1ccc(CNC(=O)c2nc(sc2C2CC2)-c2nccs2)cc1 Show InChI InChI=1S/C18H16N4O3S2/c23-15(22-25)12-3-1-10(2-4-12)9-20-16(24)13-14(11-5-6-11)27-18(21-13)17-19-7-8-26-17/h1-4,7-8,11,25H,5-6,9H2,(H,20,24)(H,22,23)	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	22	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant His6/GST-tagged human HDAC6 expressed in baculovirus infected High5 insect cells using Boc-Lys(epsion-acetyl)-AMC as substr...				J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 BindingDB Entry DOI: 10.7270/Q21839VR
					More data for this Ligand-Target Pair

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