Compile Data Set for Download or QSAR

Found 164 hits Enz. Inhib. hit(s) with all data for entry = 50010799   

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 8 (Homo sapiens (Human))	BDBM50397360 (CHEMBL2170177 | US10188756, Compound CN110) Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1 Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged full length human HDAC8 expressed in baculovirus expression system using FAM-RHKK(TF-Ac)-NH2 substrate incubated ...				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542233 (CHEMBL4642398) Show SMILES CC(C)N(C(=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C25H34N2O3/c1-16(2)27(21-11-9-17(10-12-21)22(28)26-30)23(29)18-13-19(24(3,4)5)15-20(14-18)25(6,7)8/h9-16,30H,1-8H3,(H,26,28)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Binding affinity to human HDAC8 pre-incubated for 10 mins before FITC-M344 addition and measured after 10 mins by fluorescence polarization assay				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542229 (CHEMBL4642821) Show SMILES CC(C)N(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C19H16F6N2O3/c1-10(2)27(15-5-3-11(4-6-15)16(28)26-30)17(29)12-7-13(18(20,21)22)9-14(8-12)19(23,24)25/h3-10,30H,1-2H3,(H,26,28)	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	23	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged full length human HDAC8 expressed in baculovirus expression system using FAM-RHKK(TF-Ac)-NH2 substrate incubated ...				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542224 (CHEMBL4637226) Show SMILES ONC(=O)c1ccc(cc1)N(CC1CC1)C(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C19H17F3N2O3/c20-19(21,22)15-3-1-2-14(10-15)18(26)24(11-12-4-5-12)16-8-6-13(7-9-16)17(25)23-27/h1-3,6-10,12,27H,4-5,11H2,(H,23,25)	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	33	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Binding affinity to human HDAC8 pre-incubated for 10 mins before FITC-M344 addition and measured after 10 mins by fluorescence polarization assay				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542210 (CHEMBL4638377) Show SMILES CC(C)(C)c1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C18H20N2O3/c1-18(2,3)14-6-4-5-13(11-14)16(21)19-15-9-7-12(8-10-15)17(22)20-23/h4-11,23H,1-3H3,(H,19,21)(H,20,22)	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	34	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged full length human HDAC8 expressed in baculovirus expression system using FAM-RHKK(TF-Ac)-NH2 substrate incubated ...				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542231 (CHEMBL4649651) Show SMILES CC(C)N(C(=O)c1cccc(c1F)C(F)(F)F)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C18H16F4N2O3/c1-10(2)24(12-8-6-11(7-9-12)16(25)23-27)17(26)13-4-3-5-14(15(13)19)18(20,21)22/h3-10,27H,1-2H3,(H,23,25)	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	42	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Binding affinity to human HDAC8 pre-incubated for 10 mins before FITC-M344 addition and measured after 10 mins by fluorescence polarization assay				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542212 (CHEMBL4640819) Show SMILES CCN(c1ccc(cc1)C(=O)NO)S(=O)(=O)c1cccc(c1)C(C)(C)C Show InChI InChI=1S/C19H24N2O4S/c1-5-21(16-11-9-14(10-12-16)18(22)20-23)26(24,25)17-8-6-7-15(13-17)19(2,3)4/h6-13,23H,5H2,1-4H3,(H,20,22)	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	55	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged full length human HDAC8 expressed in baculovirus expression system using FAM-RHKK(TF-Ac)-NH2 substrate incubated ...				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542226 (CHEMBL4637798) Show SMILES CC(C)(C)c1cccc(c1)C(=O)N(CC1CC1)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C22H26N2O3/c1-22(2,3)18-6-4-5-17(13-18)21(26)24(14-15-7-8-15)19-11-9-16(10-12-19)20(25)23-27/h4-6,9-13,15,27H,7-8,14H2,1-3H3,(H,23,25)	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	59	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Binding affinity to human HDAC8 pre-incubated for 10 mins before FITC-M344 addition and measured after 10 mins by fluorescence polarization assay				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50542220 (CHEMBL4641253) Show SMILES ONC(=O)c1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C15H11F3N2O3/c16-15(17,18)11-3-1-2-10(8-11)13(21)19-12-6-4-9(5-7-12)14(22)20-23/h1-8,23H,(H,19,21)(H,20,22)	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	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG-tagged full length human HDAC6 expressed in baculovirus expression system using FAM-RHKK(Ac)-NH2 substrate incubated fo...				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542219 (CHEMBL4640205) Show SMILES ONC(=O)c1ccc(cc1)N(Cc1ccccc1)C(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H17F3N2O3/c23-22(24,25)18-8-4-7-17(13-18)21(29)27(14-15-5-2-1-3-6-15)19-11-9-16(10-12-19)20(28)26-30/h1-13,30H,14H2,(H,26,28)	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	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Binding affinity to human HDAC8 pre-incubated for 10 mins before FITC-M344 addition and measured after 10 mins by fluorescence polarization assay				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542213 (CHEMBL4641613) Show SMILES CCN(C(=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C17H15F3N2O3/c1-2-22(14-8-6-11(7-9-14)15(23)21-25)16(24)12-4-3-5-13(10-12)17(18,19)20/h3-10,25H,2H2,1H3,(H,21,23)	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	62	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged full length human HDAC8 expressed in baculovirus expression system using FAM-RHKK(TF-Ac)-NH2 substrate incubated ...				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542225 (CHEMBL4643684) Show SMILES CC(C)N(C(=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C18H17F3N2O3/c1-11(2)23(15-8-6-12(7-9-15)16(24)22-26)17(25)13-4-3-5-14(10-13)18(19,20)21/h3-11,26H,1-2H3,(H,22,24)	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	63	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Binding affinity to human HDAC8 pre-incubated for 10 mins before FITC-M344 addition and measured after 10 mins by fluorescence polarization assay				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542225 (CHEMBL4643684) Show SMILES CC(C)N(C(=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C18H17F3N2O3/c1-11(2)23(15-8-6-12(7-9-15)16(24)22-26)17(25)13-4-3-5-14(10-13)18(19,20)21/h3-11,26H,1-2H3,(H,22,24)	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	65	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged full length human HDAC8 expressed in baculovirus expression system using FAM-RHKK(TF-Ac)-NH2 substrate incubated ...				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542230 (CHEMBL4649867) Show SMILES CC(C)N(C(=O)c1cccc(OC(F)(F)F)c1)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C18H17F3N2O4/c1-11(2)23(14-8-6-12(7-9-14)16(24)22-26)17(25)13-4-3-5-15(10-13)27-18(19,20)21/h3-11,26H,1-2H3,(H,22,24)	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	66	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged full length human HDAC8 expressed in baculovirus expression system using FAM-RHKK(TF-Ac)-NH2 substrate incubated ...				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542226 (CHEMBL4637798) Show SMILES CC(C)(C)c1cccc(c1)C(=O)N(CC1CC1)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C22H26N2O3/c1-22(2,3)18-6-4-5-17(13-18)21(26)24(14-15-7-8-15)19-11-9-16(10-12-19)20(25)23-27/h4-6,9-13,15,27H,7-8,14H2,1-3H3,(H,23,25)	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	66	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged full length human HDAC8 expressed in baculovirus expression system using FAM-RHKK(TF-Ac)-NH2 substrate incubated ...				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50542210 (CHEMBL4638377) Show SMILES CC(C)(C)c1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C18H20N2O3/c1-18(2,3)14-6-4-5-13(11-14)16(21)19-15-9-7-12(8-10-15)17(22)20-23/h4-11,23H,1-3H3,(H,19,21)(H,20,22)	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	66	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG-tagged full length human HDAC6 expressed in baculovirus expression system using FAM-RHKK(Ac)-NH2 substrate incubated fo...				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542230 (CHEMBL4649867) Show SMILES CC(C)N(C(=O)c1cccc(OC(F)(F)F)c1)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C18H17F3N2O4/c1-11(2)23(14-8-6-12(7-9-14)16(24)22-26)17(25)13-4-3-5-15(10-13)27-18(19,20)21/h3-11,26H,1-2H3,(H,22,24)	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	73	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Binding affinity to human HDAC8 pre-incubated for 10 mins before FITC-M344 addition and measured after 10 mins by fluorescence polarization assay				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542216 (CHEMBL4642047) Show SMILES CCN(C(=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C24H32N2O3/c1-8-26(20-11-9-16(10-12-20)21(27)25-29)22(28)17-13-18(23(2,3)4)15-19(14-17)24(5,6)7/h9-15,29H,8H2,1-7H3,(H,25,27)	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	80	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged full length human HDAC8 expressed in baculovirus expression system using FAM-RHKK(TF-Ac)-NH2 substrate incubated ...				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542211 (CHEMBL4649514) Show SMILES CCN(C(=O)c1cccc(c1)C(C)(C)C)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C20H24N2O3/c1-5-22(17-11-9-14(10-12-17)18(23)21-25)19(24)15-7-6-8-16(13-15)20(2,3)4/h6-13,25H,5H2,1-4H3,(H,21,23)	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	84	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged full length human HDAC8 expressed in baculovirus expression system using FAM-RHKK(TF-Ac)-NH2 substrate incubated ...				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542231 (CHEMBL4649651) Show SMILES CC(C)N(C(=O)c1cccc(c1F)C(F)(F)F)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C18H16F4N2O3/c1-10(2)24(12-8-6-11(7-9-12)16(25)23-27)17(26)13-4-3-5-14(15(13)19)18(20,21)22/h3-10,27H,1-2H3,(H,23,25)	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	89	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged full length human HDAC8 expressed in baculovirus expression system using FAM-RHKK(TF-Ac)-NH2 substrate incubated ...				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50542228 (CHEMBL4637127) Show SMILES CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)Nc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C22H28N2O3/c1-21(2,3)16-11-15(12-17(13-16)22(4,5)6)19(25)23-18-9-7-14(8-10-18)20(26)24-27/h7-13,27H,1-6H3,(H,23,25)(H,24,26)	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	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged and N-terminal GST-tagged full length human HDAC3 expressed in baculovirus expression system co-expressed with hu...				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542233 (CHEMBL4642398) Show SMILES CC(C)N(C(=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C25H34N2O3/c1-16(2)27(21-11-9-17(10-12-21)22(28)26-30)23(29)18-13-19(24(3,4)5)15-20(14-18)25(6,7)8/h9-16,30H,1-8H3,(H,26,28)	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	107	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged full length human HDAC8 expressed in baculovirus expression system using FAM-RHKK(TF-Ac)-NH2 substrate incubated ...				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542216 (CHEMBL4642047) Show SMILES CCN(C(=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C24H32N2O3/c1-8-26(20-11-9-16(10-12-20)21(27)25-29)22(28)17-13-18(23(2,3)4)15-19(14-17)24(5,6)7/h9-15,29H,8H2,1-7H3,(H,25,27)	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	108	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Binding affinity to human HDAC8 pre-incubated for 10 mins before FITC-M344 addition and measured after 10 mins by fluorescence polarization assay				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50542234 (CHEMBL4636672) Show SMILES ONC(=O)c1ccc(NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1 Show InChI InChI=1S/C16H10F6N2O3/c17-15(18,19)10-5-9(6-11(7-10)16(20,21)22)13(25)23-12-3-1-8(2-4-12)14(26)24-27/h1-7,27H,(H,23,25)(H,24,26)	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	112	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG-tagged full length human HDAC6 expressed in baculovirus expression system using FAM-RHKK(Ac)-NH2 substrate incubated fo...				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542229 (CHEMBL4642821) Show SMILES CC(C)N(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C19H16F6N2O3/c1-10(2)27(15-5-3-11(4-6-15)16(28)26-30)17(29)12-7-13(18(20,21)22)9-14(8-12)19(23,24)25/h3-10,30H,1-2H3,(H,26,28)	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	113	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Binding affinity to human HDAC8 pre-incubated for 10 mins before FITC-M344 addition and measured after 10 mins by fluorescence polarization assay				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542224 (CHEMBL4637226) Show SMILES ONC(=O)c1ccc(cc1)N(CC1CC1)C(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C19H17F3N2O3/c20-19(21,22)15-3-1-2-14(10-15)18(26)24(11-12-4-5-12)16-8-6-13(7-9-16)17(25)23-27/h1-3,6-10,12,27H,4-5,11H2,(H,23,25)	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	116	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged full length human HDAC8 expressed in baculovirus expression system using FAM-RHKK(TF-Ac)-NH2 substrate incubated ...				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542212 (CHEMBL4640819) Show SMILES CCN(c1ccc(cc1)C(=O)NO)S(=O)(=O)c1cccc(c1)C(C)(C)C Show InChI InChI=1S/C19H24N2O4S/c1-5-21(16-11-9-14(10-12-16)18(22)20-23)26(24,25)17-8-6-7-15(13-17)19(2,3)4/h6-13,23H,5H2,1-4H3,(H,20,22)	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	117	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Binding affinity to human HDAC8 pre-incubated for 10 mins before FITC-M344 addition and measured after 10 mins by fluorescence polarization assay				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50542222 (CHEMBL4639051) Show SMILES CC(=O)N(Cc1cccc(c1)C(F)(F)F)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C17H15F3N2O3/c1-11(23)22(15-7-5-13(6-8-15)16(24)21-25)10-12-3-2-4-14(9-12)17(18,19)20/h2-9,25H,10H2,1H3,(H,21,24)	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	118	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG-tagged full length human HDAC6 expressed in baculovirus expression system using FAM-RHKK(Ac)-NH2 substrate incubated fo...				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542232 (CHEMBL4638505) Show SMILES CC(C)N(C(=O)c1ccc(F)c(c1)C(F)(F)F)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C18H16F4N2O3/c1-10(2)24(13-6-3-11(4-7-13)16(25)23-27)17(26)12-5-8-15(19)14(9-12)18(20,21)22/h3-10,27H,1-2H3,(H,23,25)	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	119	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged full length human HDAC8 expressed in baculovirus expression system using FAM-RHKK(TF-Ac)-NH2 substrate incubated ...				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542214 (CHEMBL4643791) Show SMILES CCN(c1ccc(cc1)C(=O)NO)S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C16H15F3N2O4S/c1-2-21(13-8-6-11(7-9-13)15(22)20-23)26(24,25)14-5-3-4-12(10-14)16(17,18)19/h3-10,23H,2H2,1H3,(H,20,22)	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	129	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged full length human HDAC8 expressed in baculovirus expression system using FAM-RHKK(TF-Ac)-NH2 substrate incubated ...				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50397360 (CHEMBL2170177 | US10188756, Compound CN110) Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1 Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Binding affinity to human HDAC8 pre-incubated for 10 mins before FITC-M344 addition and measured after 10 mins by fluorescence polarization assay				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542213 (CHEMBL4641613) Show SMILES CCN(C(=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C17H15F3N2O3/c1-2-22(14-8-6-11(7-9-14)15(23)21-25)16(24)12-4-3-5-13(10-12)17(18,19)20/h3-10,25H,2H2,1H3,(H,21,23)	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	144	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Binding affinity to human HDAC8 pre-incubated for 10 mins before FITC-M344 addition and measured after 10 mins by fluorescence polarization assay				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50542219 (CHEMBL4640205) Show SMILES ONC(=O)c1ccc(cc1)N(Cc1ccccc1)C(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H17F3N2O3/c23-22(24,25)18-8-4-7-17(13-18)21(29)27(14-15-5-2-1-3-6-15)19-11-9-16(10-12-19)20(28)26-30/h1-13,30H,14H2,(H,26,28)	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	175	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG-tagged full length human HDAC6 expressed in baculovirus expression system using FAM-RHKK(Ac)-NH2 substrate incubated fo...				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50542228 (CHEMBL4637127) Show SMILES CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)Nc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C22H28N2O3/c1-21(2,3)16-11-15(12-17(13-16)22(4,5)6)19(25)23-18-9-7-14(8-10-18)20(26)24-27/h7-13,27H,1-6H3,(H,23,25)(H,24,26)	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	190	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG-tagged full length human HDAC6 expressed in baculovirus expression system using FAM-RHKK(Ac)-NH2 substrate incubated fo...				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542211 (CHEMBL4649514) Show SMILES CCN(C(=O)c1cccc(c1)C(C)(C)C)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C20H24N2O3/c1-5-22(17-11-9-14(10-12-17)18(23)21-25)19(24)15-7-6-8-16(13-15)20(2,3)4/h6-13,25H,5H2,1-4H3,(H,21,23)	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	203	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Binding affinity to human HDAC8 pre-incubated for 10 mins before FITC-M344 addition and measured after 10 mins by fluorescence polarization assay				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50542218 (CHEMBL4641390) Show SMILES ONC(=O)c1ccc(cc1)N(Cc1cccc(c1)C(F)(F)F)C(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H16F6N2O3/c24-22(25,26)17-5-1-3-14(11-17)13-31(19-9-7-15(8-10-19)20(32)30-34)21(33)16-4-2-6-18(12-16)23(27,28)29/h1-12,34H,13H2,(H,30,32)	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	225	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG-tagged full length human HDAC6 expressed in baculovirus expression system using FAM-RHKK(Ac)-NH2 substrate incubated fo...				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542227 (CHEMBL4634713) Show SMILES CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)N(CC1CC1)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C26H34N2O3/c1-25(2,3)20-13-19(14-21(15-20)26(4,5)6)24(30)28(16-17-7-8-17)22-11-9-18(10-12-22)23(29)27-31/h9-15,17,31H,7-8,16H2,1-6H3,(H,27,29)	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	225	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged full length human HDAC8 expressed in baculovirus expression system using FAM-RHKK(TF-Ac)-NH2 substrate incubated ...				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50542220 (CHEMBL4641253) Show SMILES ONC(=O)c1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C15H11F3N2O3/c16-15(17,18)11-3-1-2-10(8-11)13(21)19-12-6-4-9(5-7-12)14(22)20-23/h1-8,23H,(H,19,21)(H,20,22)	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	254	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged and N-terminal GST-tagged full length human HDAC3 expressed in baculovirus expression system co-expressed with hu...				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542219 (CHEMBL4640205) Show SMILES ONC(=O)c1ccc(cc1)N(Cc1ccccc1)C(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H17F3N2O3/c23-22(24,25)18-8-4-7-17(13-18)21(29)27(14-15-5-2-1-3-6-15)19-11-9-16(10-12-19)20(28)26-30/h1-13,30H,14H2,(H,26,28)	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	264	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged full length human HDAC8 expressed in baculovirus expression system using FAM-RHKK(TF-Ac)-NH2 substrate incubated ...				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542220 (CHEMBL4641253) Show SMILES ONC(=O)c1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C15H11F3N2O3/c16-15(17,18)11-3-1-2-10(8-11)13(21)19-12-6-4-9(5-7-12)14(22)20-23/h1-8,23H,(H,19,21)(H,20,22)	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	266	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Binding affinity to human HDAC8 pre-incubated for 10 mins before FITC-M344 addition and measured after 10 mins by fluorescence polarization assay				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542215 (CHEMBL4640536) Show SMILES CCN(c1ccc(cc1)C(=O)NO)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H14F6N2O4S/c1-2-25(13-5-3-10(4-6-13)15(26)24-27)30(28,29)14-8-11(16(18,19)20)7-12(9-14)17(21,22)23/h3-9,27H,2H2,1H3,(H,24,26)	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	308	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged full length human HDAC8 expressed in baculovirus expression system using FAM-RHKK(TF-Ac)-NH2 substrate incubated ...				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542214 (CHEMBL4643791) Show SMILES CCN(c1ccc(cc1)C(=O)NO)S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C16H15F3N2O4S/c1-2-21(13-8-6-11(7-9-13)15(22)20-23)26(24,25)14-5-3-4-12(10-14)16(17,18)19/h3-10,23H,2H2,1H3,(H,20,22)	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	340	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Binding affinity to human HDAC8 pre-incubated for 10 mins before FITC-M344 addition and measured after 10 mins by fluorescence polarization assay				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50542235 (CHEMBL4639383) Show SMILES CC(C)(C)c1cccc(NC(=O)c2ccc(cc2)C(=O)NO)c1 Show InChI InChI=1S/C18H20N2O3/c1-18(2,3)14-5-4-6-15(11-14)19-16(21)12-7-9-13(10-8-12)17(22)20-23/h4-11,23H,1-3H3,(H,19,21)(H,20,22)	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	345	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged and N-terminal GST-tagged full length human HDAC3 expressed in baculovirus expression system co-expressed with hu...				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542236 (CHEMBL4633998) Show SMILES CCN(C(=O)c1ccc(cc1)C(=O)NO)c1cccc(c1)C(C)(C)C Show InChI InChI=1S/C20H24N2O3/c1-5-22(17-8-6-7-16(13-17)20(2,3)4)19(24)15-11-9-14(10-12-15)18(23)21-25/h6-13,25H,5H2,1-4H3,(H,21,23)	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	358	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Binding affinity to human HDAC8 pre-incubated for 10 mins before FITC-M344 addition and measured after 10 mins by fluorescence polarization assay				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542221 (CHEMBL4633453) Show SMILES CCN(C(=O)c1ccccc1C(F)(F)F)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C17H15F3N2O3/c1-2-22(12-9-7-11(8-10-12)15(23)21-25)16(24)13-5-3-4-6-14(13)17(18,19)20/h3-10,25H,2H2,1H3,(H,21,23)	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	368	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Binding affinity to human HDAC8 pre-incubated for 10 mins before FITC-M344 addition and measured after 10 mins by fluorescence polarization assay				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50542212 (CHEMBL4640819) Show SMILES CCN(c1ccc(cc1)C(=O)NO)S(=O)(=O)c1cccc(c1)C(C)(C)C Show InChI InChI=1S/C19H24N2O4S/c1-5-21(16-11-9-14(10-12-16)18(22)20-23)26(24,25)17-8-6-7-15(13-17)19(2,3)4/h6-13,23H,5H2,1-4H3,(H,20,22)	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	377	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged and N-terminal GST-tagged full length human HDAC3 expressed in baculovirus expression system co-expressed with hu...				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50542235 (CHEMBL4639383) Show SMILES CC(C)(C)c1cccc(NC(=O)c2ccc(cc2)C(=O)NO)c1 Show InChI InChI=1S/C18H20N2O3/c1-18(2,3)14-5-4-6-15(11-14)19-16(21)12-7-9-13(10-8-12)17(22)20-23/h4-11,23H,1-3H3,(H,19,21)(H,20,22)	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	414	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG-tagged full length human HDAC6 expressed in baculovirus expression system using FAM-RHKK(Ac)-NH2 substrate incubated fo...				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542220 (CHEMBL4641253) Show SMILES ONC(=O)c1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C15H11F3N2O3/c16-15(17,18)11-3-1-2-10(8-11)13(21)19-12-6-4-9(5-7-12)14(22)20-23/h1-8,23H,(H,19,21)(H,20,22)	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	478	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged full length human HDAC8 expressed in baculovirus expression system using FAM-RHKK(TF-Ac)-NH2 substrate incubated ...				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50397360 (CHEMBL2170177 | US10188756, Compound CN110) Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1 Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	482	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged full length human HDAC11 expressed in baculovirus expression system using FAM-RHKK(TF-Ac)-NH2 substrate incubated...				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50542218 (CHEMBL4641390) Show SMILES ONC(=O)c1ccc(cc1)N(Cc1cccc(c1)C(F)(F)F)C(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H16F6N2O3/c24-22(25,26)17-5-1-3-14(11-17)13-31(19-9-7-15(8-10-19)20(32)30-34)21(33)16-4-2-6-18(12-16)23(27,28)29/h1-12,34H,13H2,(H,30,32)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	526	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged full length human HDAC11 expressed in baculovirus expression system using FAM-RHKK(TF-Ac)-NH2 substrate incubated...				J Med Chem 63: 8634-8648 (2020) Article DOI: 10.1021/acs.jmedchem.0c01025 BindingDB Entry DOI: 10.7270/Q2CC1470
					More data for this Ligand-Target Pair

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