Compile Data Set for Download or QSAR

Found 361 hits with Last Name = 'butler' and Initial = 'kv'   

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
Protein arginine N-methyltransferase 6 (Homo sapiens (Human))	BDBM178103 (MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...) Show SMILES CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.800	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto					Assay Description In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...				ACS Chem Biol 11: 772-81 (2016) Article DOI: 10.1021/acschembio.5b00839 BindingDB Entry DOI: 10.7270/Q2765D4H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein arginine N-methyltransferase 8 (Homo sapiens (Human))	BDBM178103 (MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...) Show SMILES CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	1.30	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto					Assay Description In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...				ACS Chem Biol 11: 772-81 (2016) Article DOI: 10.1021/acschembio.5b00839 BindingDB Entry DOI: 10.7270/Q2765D4H
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 6 (Homo sapiens (Human))	BDBM178102 (N1-Methyl-N1-((4-(3-(trifluoromethyl)phenyl)-1H-py...) Show SMILES CN(CCN)Cc1c[nH]cc1-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C15H18F3N3/c1-21(6-5-19)10-12-8-20-9-14(12)11-3-2-4-13(7-11)15(16,17)18/h2-4,7-9,20H,5-6,10,19H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto					Assay Description In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...				ACS Chem Biol 11: 772-81 (2016) Article DOI: 10.1021/acschembio.5b00839 BindingDB Entry DOI: 10.7270/Q2765D4H
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM178103 (MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...) Show SMILES CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	11	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto					Assay Description In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...				ACS Chem Biol 11: 772-81 (2016) Article DOI: 10.1021/acschembio.5b00839 BindingDB Entry DOI: 10.7270/Q2765D4H
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 8 (Homo sapiens (Human))	BDBM178102 (N1-Methyl-N1-((4-(3-(trifluoromethyl)phenyl)-1H-py...) Show SMILES CN(CCN)Cc1c[nH]cc1-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C15H18F3N3/c1-21(6-5-19)10-12-8-20-9-14(12)11-3-2-4-13(7-11)15(16,17)18/h2-4,7-9,20H,5-6,10,19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto					Assay Description In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...				ACS Chem Biol 11: 772-81 (2016) Article DOI: 10.1021/acschembio.5b00839 BindingDB Entry DOI: 10.7270/Q2765D4H
					More data for this Ligand-Target Pair
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM178103 (MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...) Show SMILES CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	23	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto					Assay Description In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...				ACS Chem Biol 11: 772-81 (2016) Article DOI: 10.1021/acschembio.5b00839 BindingDB Entry DOI: 10.7270/Q2765D4H
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 3 [N508S] (Homo sapiens (Human))	BDBM178103 (MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...) Show SMILES CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	55	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto					Assay Description In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...				ACS Chem Biol 11: 772-81 (2016) Article DOI: 10.1021/acschembio.5b00839 BindingDB Entry DOI: 10.7270/Q2765D4H
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 6 (Homo sapiens (Human))	BDBM178101 (N1-Methyl-N1-((5-(3-(trifluoromethyl)phenyl)-2H-1,...) Show SMILES CN(CCN)Cc1n[nH]nc1-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C13H16F3N5/c1-21(6-5-17)8-11-12(19-20-18-11)9-3-2-4-10(7-9)13(14,15)16/h2-4,7H,5-6,8,17H2,1H3,(H,18,19,20)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	110	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto					Assay Description In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...				ACS Chem Biol 11: 772-81 (2016) Article DOI: 10.1021/acschembio.5b00839 BindingDB Entry DOI: 10.7270/Q2765D4H
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM178102 (N1-Methyl-N1-((4-(3-(trifluoromethyl)phenyl)-1H-py...) Show SMILES CN(CCN)Cc1c[nH]cc1-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C15H18F3N3/c1-21(6-5-19)10-12-8-20-9-14(12)11-3-2-4-13(7-11)15(16,17)18/h2-4,7-9,20H,5-6,10,19H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	120	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto					Assay Description In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...				ACS Chem Biol 11: 772-81 (2016) Article DOI: 10.1021/acschembio.5b00839 BindingDB Entry DOI: 10.7270/Q2765D4H
					More data for this Ligand-Target Pair
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM178102 (N1-Methyl-N1-((4-(3-(trifluoromethyl)phenyl)-1H-py...) Show SMILES CN(CCN)Cc1c[nH]cc1-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C15H18F3N3/c1-21(6-5-19)10-12-8-20-9-14(12)11-3-2-4-13(7-11)15(16,17)18/h2-4,7-9,20H,5-6,10,19H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	120	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto					Assay Description In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...				ACS Chem Biol 11: 772-81 (2016) Article DOI: 10.1021/acschembio.5b00839 BindingDB Entry DOI: 10.7270/Q2765D4H
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 3 [N508S] (Homo sapiens (Human))	BDBM178102 (N1-Methyl-N1-((4-(3-(trifluoromethyl)phenyl)-1H-py...) Show SMILES CN(CCN)Cc1c[nH]cc1-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C15H18F3N3/c1-21(6-5-19)10-12-8-20-9-14(12)11-3-2-4-13(7-11)15(16,17)18/h2-4,7-9,20H,5-6,10,19H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	550	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto					Assay Description In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...				ACS Chem Biol 11: 772-81 (2016) Article DOI: 10.1021/acschembio.5b00839 BindingDB Entry DOI: 10.7270/Q2765D4H
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50183409 (CHEMBL3822531) Show SMILES [#6]-1-[#6]\[#6](-[#6]-[#6]-[#8]-1)=[#6](\c1cccs1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H18OS/c1-2-5-17-14-18(8-7-15(17)4-1)20(19-6-3-13-22-19)16-9-11-21-12-10-16/h1-8,13-14H,9-12H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Competitive inhibition of human isoprenylcysteine carboxyl methyltransferase expressed in yeast His10myc3N-Icmt membranes using increasing AFC substr...				Medchemcomm 7: 1016-1021 (2016) BindingDB Entry DOI: 10.7270/Q2C82C8P
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 8 (Homo sapiens (Human))	BDBM178101 (N1-Methyl-N1-((5-(3-(trifluoromethyl)phenyl)-2H-1,...) Show SMILES CN(CCN)Cc1n[nH]nc1-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C13H16F3N5/c1-21(6-5-17)8-11-12(19-20-18-11)9-3-2-4-10(7-9)13(14,15)16/h2-4,7H,5-6,8,17H2,1H3,(H,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.50E+3	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto					Assay Description In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...				ACS Chem Biol 11: 772-81 (2016) Article DOI: 10.1021/acschembio.5b00839 BindingDB Entry DOI: 10.7270/Q2765D4H
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50183409 (CHEMBL3822531) Show SMILES [#6]-1-[#6]\[#6](-[#6]-[#6]-[#8]-1)=[#6](\c1cccs1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H18OS/c1-2-5-17-14-18(8-7-15(17)4-1)20(19-6-3-13-22-19)16-9-11-21-12-10-16/h1-8,13-14H,9-12H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Non-competitive inhibition of human isoprenylcysteine carboxyl methyltransferase expressed in yeast His10myc3N-Icmt membranes with increasing [14C]-S...				Medchemcomm 7: 1016-1021 (2016) BindingDB Entry DOI: 10.7270/Q2C82C8P
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM178101 (N1-Methyl-N1-((5-(3-(trifluoromethyl)phenyl)-2H-1,...) Show SMILES CN(CCN)Cc1n[nH]nc1-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C13H16F3N5/c1-21(6-5-17)8-11-12(19-20-18-11)9-3-2-4-10(7-9)13(14,15)16/h2-4,7H,5-6,8,17H2,1H3,(H,18,19,20)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto					Assay Description In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...				ACS Chem Biol 11: 772-81 (2016) Article DOI: 10.1021/acschembio.5b00839 BindingDB Entry DOI: 10.7270/Q2765D4H
					More data for this Ligand-Target Pair
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM178101 (N1-Methyl-N1-((5-(3-(trifluoromethyl)phenyl)-2H-1,...) Show SMILES CN(CCN)Cc1n[nH]nc1-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C13H16F3N5/c1-21(6-5-17)8-11-12(19-20-18-11)9-3-2-4-10(7-9)13(14,15)16/h2-4,7H,5-6,8,17H2,1H3,(H,18,19,20)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.75E+4	n/a	>7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto					Assay Description In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...				ACS Chem Biol 11: 772-81 (2016) Article DOI: 10.1021/acschembio.5b00839 BindingDB Entry DOI: 10.7270/Q2765D4H
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 3 [N508S] (Homo sapiens (Human))	BDBM178101 (N1-Methyl-N1-((5-(3-(trifluoromethyl)phenyl)-2H-1,...) Show SMILES CN(CCN)Cc1n[nH]nc1-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C13H16F3N5/c1-21(6-5-17)8-11-12(19-20-18-11)9-3-2-4-10(7-9)13(14,15)16/h2-4,7H,5-6,8,17H2,1H3,(H,18,19,20)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+4	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto					Assay Description In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...				ACS Chem Biol 11: 772-81 (2016) Article DOI: 10.1021/acschembio.5b00839 BindingDB Entry DOI: 10.7270/Q2765D4H
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM218187 (US9249087, 30) Show SMILES CS(=O)(=O)NCCc1cn(Cc2ccc(cc2)C(=O)NO)c2ccccc12 Show InChI InChI=1S/C19H21N3O4S/c1-27(25,26)20-11-10-16-13-22(18-5-3-2-4-17(16)18)12-14-6-8-15(9-7-14)19(23)21-24/h2-9,13,20,24H,10-12H2,1H3,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.170	n/a	n/a	n/a	n/a	8.0	n/a
THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA US Patent					Assay Description HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...				US Patent US9249087 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z3W
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380385 (CHEMBL2018447) Show SMILES NC(=O)CCN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C22H24N4O3/c23-21(27)10-12-25-11-9-20-18(14-25)17-3-1-2-4-19(17)26(20)13-15-5-7-16(8-6-15)22(28)24-29/h1-8,29H,9-14H2,(H2,23,27)(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	0.459	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs				J Med Chem 55: 639-51 (2012) Article DOI: 10.1021/jm200773h BindingDB Entry DOI: 10.7270/Q2CJ8FG7
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380391 (CHEMBL2018446) Show SMILES ONC(=O)c1ccc(Cn2c3CCN(Cc4ccncc4)Cc3c3ccccc23)cc1 Show InChI InChI=1S/C25H24N4O2/c30-25(27-31)20-7-5-18(6-8-20)16-29-23-4-2-1-3-21(23)22-17-28(14-11-24(22)29)15-19-9-12-26-13-10-19/h1-10,12-13,31H,11,14-17H2,(H,27,30)	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	0.582	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs				J Med Chem 55: 639-51 (2012) Article DOI: 10.1021/jm200773h BindingDB Entry DOI: 10.7270/Q2CJ8FG7
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380400 (CHEMBL2018301) Show SMILES CN1CCc2c(C1)c1cc(Br)ccc1n2Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C20H20BrN3O2/c1-23-9-8-19-17(12-23)16-10-15(21)6-7-18(16)24(19)11-13-2-4-14(5-3-13)20(25)22-26/h2-7,10,26H,8-9,11-12H2,1H3,(H,22,25)	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	0.704	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs				J Med Chem 55: 639-51 (2012) Article DOI: 10.1021/jm200773h BindingDB Entry DOI: 10.7270/Q2CJ8FG7
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380390 (CHEMBL2018448) Show SMILES NC(=O)CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C21H22N4O3/c22-20(26)13-24-10-9-19-17(12-24)16-3-1-2-4-18(16)25(19)11-14-5-7-15(8-6-14)21(27)23-28/h1-8,28H,9-13H2,(H2,22,26)(H,23,27)	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	0.799	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs				J Med Chem 55: 639-51 (2012) Article DOI: 10.1021/jm200773h BindingDB Entry DOI: 10.7270/Q2CJ8FG7
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380386 (CHEMBL2018452) Show SMILES ONC(=O)c1ccc(Cn2c3CN(Cc4ccccc4)CCc3c3ccccc23)cc1 Show InChI InChI=1S/C26H25N3O2/c30-26(27-31)21-12-10-20(11-13-21)17-29-24-9-5-4-8-22(24)23-14-15-28(18-25(23)29)16-19-6-2-1-3-7-19/h1-13,31H,14-18H2,(H,27,30)	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	0.872	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs				J Med Chem 55: 639-51 (2012) Article DOI: 10.1021/jm200773h BindingDB Entry DOI: 10.7270/Q2CJ8FG7
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380384 (CHEMBL2018442) Show SMILES ONC(=O)c1ccc(Cn2c3CCN(CC=C)Cc3c3ccccc23)cc1 Show InChI InChI=1S/C22H23N3O2/c1-2-12-24-13-11-21-19(15-24)18-5-3-4-6-20(18)25(21)14-16-7-9-17(10-8-16)22(26)23-27/h2-10,27H,1,11-15H2,(H,23,26)	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	0.972	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs				J Med Chem 55: 639-51 (2012) Article DOI: 10.1021/jm200773h BindingDB Entry DOI: 10.7270/Q2CJ8FG7
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380401 (CHEMBL2018300) Show SMILES CN1CCc2c(C1)c1cc(Cl)ccc1n2Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C20H20ClN3O2/c1-23-9-8-19-17(12-23)16-10-15(21)6-7-18(16)24(19)11-13-2-4-14(5-3-13)20(25)22-26/h2-7,10,26H,8-9,11-12H2,1H3,(H,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs				J Med Chem 55: 639-51 (2012) Article DOI: 10.1021/jm200773h BindingDB Entry DOI: 10.7270/Q2CJ8FG7
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380387 (CHEMBL2018451) Show SMILES CN1CCc2c(C1)n(Cc1ccc(cc1)C(=O)NO)c1ccccc21 Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-17-16-4-2-3-5-18(16)23(19(17)13-22)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs				J Med Chem 55: 639-51 (2012) Article DOI: 10.1021/jm200773h BindingDB Entry DOI: 10.7270/Q2CJ8FG7
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM124188 (US8748451, 3 | US8748451, 7) Show SMILES CN1CCc2c(C1)n(CCCCCC(=O)NO)c1ccccc21 Show InChI InChI=1S/C18H25N3O2/c1-20-12-10-15-14-7-4-5-8-16(14)21(17(15)13-20)11-6-2-3-9-18(22)19-23/h4-5,7-8,23H,2-3,6,9-13H2,1H3,(H,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	8.0	25
The Board of Trustees of The University of Illinois US Patent					Assay Description HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...				US Patent US8748451 (2014) BindingDB Entry DOI: 10.7270/Q26D5RPK
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380394 (CHEMBL2018443) Show SMILES ONC(=O)c1ccc(Cn2c3CCN(Cc4ccccc4)Cc3c3ccccc23)cc1 Show InChI InChI=1S/C26H25N3O2/c30-26(27-31)21-12-10-20(11-13-21)17-29-24-9-5-4-8-22(24)23-18-28(15-14-25(23)29)16-19-6-2-1-3-7-19/h1-13,31H,14-18H2,(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.44	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs				J Med Chem 55: 639-51 (2012) Article DOI: 10.1021/jm200773h BindingDB Entry DOI: 10.7270/Q2CJ8FG7
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM218178 (US9249087, 21) Show SMILES Cc1c(CN)c2ccccc2n1Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C18H19N3O2/c1-12-16(10-19)15-4-2-3-5-17(15)21(12)11-13-6-8-14(9-7-13)18(22)20-23/h2-9,23H,10-11,19H2,1H3,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.46	n/a	n/a	n/a	n/a	8.0	n/a
THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA US Patent					Assay Description HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...				US Patent US9249087 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z3W
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM218227 (US9249087, Table 1 , Compound 4) Show SMILES Cc1c(CN)c2ccccc2c1-c1ccc(cc1)C(=O)NO Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.46	n/a	n/a	n/a	n/a	8.0	n/a
THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA US Patent					Assay Description HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...				US Patent US9249087 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z3W
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380398 (CHEMBL2018303) Show SMILES CC(C)(C)OC(=O)N1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C24H27N3O4/c1-24(2,3)31-23(29)26-13-12-21-19(15-26)18-6-4-5-7-20(18)27(21)14-16-8-10-17(11-9-16)22(28)25-30/h4-11,30H,12-15H2,1-3H3,(H,25,28)	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	2.25	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs				J Med Chem 55: 639-51 (2012) Article DOI: 10.1021/jm200773h BindingDB Entry DOI: 10.7270/Q2CJ8FG7
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380388 (CHEMBL2018450) Show SMILES ONC(=O)c1ccc(Cn2c3CNCCc3c3ccccc23)cc1 Show InChI InChI=1S/C19H19N3O2/c23-19(21-24)14-7-5-13(6-8-14)12-22-17-4-2-1-3-15(17)16-9-10-20-11-18(16)22/h1-8,20,24H,9-12H2,(H,21,23)	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	2.49	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs				J Med Chem 55: 639-51 (2012) Article DOI: 10.1021/jm200773h BindingDB Entry DOI: 10.7270/Q2CJ8FG7
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM218225 (US9249087, Table 1 , Compound 2) Show SMILES Cc1cc2ccccc2c1-c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C17H14NO2/c1-11-10-14-4-2-3-5-15(14)16(11)12-6-8-13(9-7-12)17(19)18-20/h2-10,20H,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.51	n/a	n/a	n/a	n/a	8.0	n/a
THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA US Patent					Assay Description HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...				US Patent US9249087 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z3W
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM218161 (US9249087, 4) Show SMILES Cc1cc2ccccc2n1Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C17H16N2O2/c1-12-10-15-4-2-3-5-16(15)19(12)11-13-6-8-14(9-7-13)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	PC cid PC sid UniChem	US Patent	n/a	n/a	2.51	n/a	n/a	n/a	n/a	8.0	n/a
THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA US Patent					Assay Description HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...				US Patent US9249087 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z3W
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM218174 (US9249087, 17) Show SMILES CN1CCN(CCc2cn(CC3=CCC(C=C3)C(=O)NO)c3ccccc23)CC1 |c:15,t:11| Show InChI InChI=1S/C23H30N4O2/c1-25-12-14-26(15-13-25)11-10-20-17-27(22-5-3-2-4-21(20)22)16-18-6-8-19(9-7-18)23(28)24-29/h2-8,17,19,29H,9-16H2,1H3,(H,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.94	n/a	n/a	n/a	n/a	8.0	n/a
THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA US Patent					Assay Description HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...				US Patent US9249087 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z3W
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM218230 (US9249087, Table 1 , Compound 7) Show SMILES CN1CCN(CCc2cc(-c3ccc(cc3)C(=O)NO)c3ccccc23)CC1 Show InChI InChI=1S/C23H26N3O2/c1-25-12-14-26(15-13-25)11-10-19-16-22(21-5-3-2-4-20(19)21)17-6-8-18(9-7-17)23(27)24-28/h2-9,16,28H,10-15H2,1H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.94	n/a	n/a	n/a	n/a	8.0	n/a
THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA US Patent					Assay Description HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...				US Patent US9249087 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z3W
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380393 (CHEMBL2018444) Show SMILES COc1cccc(CN2CCc3c(C2)c2ccccc2n3Cc2ccc(cc2)C(=O)NO)c1 Show InChI InChI=1S/C27H27N3O3/c1-33-22-6-4-5-20(15-22)16-29-14-13-26-24(18-29)23-7-2-3-8-25(23)30(26)17-19-9-11-21(12-10-19)27(31)28-32/h2-12,15,32H,13-14,16-18H2,1H3,(H,28,31)	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	2.96	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs				J Med Chem 55: 639-51 (2012) Article DOI: 10.1021/jm200773h BindingDB Entry DOI: 10.7270/Q2CJ8FG7
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380396 (CHEMBL2018305) Show SMILES CCN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C21H23N3O2/c1-2-23-12-11-20-18(14-23)17-5-3-4-6-19(17)24(20)13-15-7-9-16(10-8-15)21(25)22-26/h3-10,26H,2,11-14H2,1H3,(H,22,25)	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	2.99	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs				J Med Chem 55: 639-51 (2012) Article DOI: 10.1021/jm200773h BindingDB Entry DOI: 10.7270/Q2CJ8FG7
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380392 (CHEMBL2018445) Show SMILES COc1ccc(CN2CCc3c(C2)c2ccccc2n3Cc2ccc(cc2)C(=O)NO)cc1 Show InChI InChI=1S/C27H27N3O3/c1-33-22-12-8-19(9-13-22)16-29-15-14-26-24(18-29)23-4-2-3-5-25(23)30(26)17-20-6-10-21(11-7-20)27(31)28-32/h2-13,32H,14-18H2,1H3,(H,28,31)	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	3.05	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs				J Med Chem 55: 639-51 (2012) Article DOI: 10.1021/jm200773h BindingDB Entry DOI: 10.7270/Q2CJ8FG7
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380402 (CHEMBL2018299) Show SMILES COc1ccc2n(Cc3ccc(cc3)C(=O)NO)c3CCN(C)Cc3c2c1 Show InChI InChI=1S/C21H23N3O3/c1-23-10-9-20-18(13-23)17-11-16(27-2)7-8-19(17)24(20)12-14-3-5-15(6-4-14)21(25)22-26/h3-8,11,26H,9-10,12-13H2,1-2H3,(H,22,25)	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	3.06	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs				J Med Chem 55: 639-51 (2012) Article DOI: 10.1021/jm200773h BindingDB Entry DOI: 10.7270/Q2CJ8FG7
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM218231 (US9249087, Table 1 , Compound 8) Show SMILES ONC(=O)c1ccc(cc1)-c1cnc2cncnc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.48	n/a	n/a	n/a	n/a	8.0	n/a
THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA US Patent					Assay Description HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...				US Patent US9249087 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z3W
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM218169 (US9249087, 12) Show SMILES ONC(=O)c1ccc(Cn2cnc3cncnc23)cc1 Show InChI InChI=1S/C13H11N5O2/c19-13(17-20)10-3-1-9(2-4-10)6-18-8-16-11-5-14-7-15-12(11)18/h1-5,7-8,20H,6H2,(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.48	n/a	n/a	n/a	n/a	8.0	n/a
THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA US Patent					Assay Description HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...				US Patent US9249087 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z3W
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380399 (CHEMBL2018302 | Tubastatin A | US10227295, Compoun...) Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	8.0	n/a
THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA US Patent					Assay Description HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...				US Patent US9249087 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z3W
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380389 (CHEMBL2018449) Show SMILES NC(=O)CCCN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C23H26N4O3/c24-22(28)6-3-12-26-13-11-21-19(15-26)18-4-1-2-5-20(18)27(21)14-16-7-9-17(10-8-16)23(29)25-30/h1-2,4-5,7-10,30H,3,6,11-15H2,(H2,24,28)(H,25,29)	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	4.06	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs				J Med Chem 55: 639-51 (2012) Article DOI: 10.1021/jm200773h BindingDB Entry DOI: 10.7270/Q2CJ8FG7
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM218165 (US9249087, 8) Show SMILES Cc1c(C)c2ccccc2n1Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C18H18N2O2/c1-12-13(2)20(17-6-4-3-5-16(12)17)11-14-7-9-15(10-8-14)18(21)19-22/h3-10,22H,11H2,1-2H3,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.08	n/a	n/a	n/a	n/a	8.0	n/a
THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA US Patent					Assay Description HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...				US Patent US9249087 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z3W
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380405 (CHEMBL2018296) Show SMILES CN1CCc2c(C1)c1cc(C)ccc1n2Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C21H23N3O2/c1-14-3-8-19-17(11-14)18-13-23(2)10-9-20(18)24(19)12-15-4-6-16(7-5-15)21(25)22-26/h3-8,11,26H,9-10,12-13H2,1-2H3,(H,22,25)	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	4.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs				J Med Chem 55: 639-51 (2012) Article DOI: 10.1021/jm200773h BindingDB Entry DOI: 10.7270/Q2CJ8FG7
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM218163 (US9249087, 6) Show SMILES Cc1cn(Cc2ccc(cc2)C(=O)NO)c2ccccc12 Show InChI InChI=1S/C17H16N2O2/c1-12-10-19(16-5-3-2-4-15(12)16)11-13-6-8-14(9-7-13)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	PC cid PC sid UniChem	US Patent	n/a	n/a	5.11	n/a	n/a	n/a	n/a	8.0	n/a
THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA US Patent					Assay Description HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...				US Patent US9249087 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z3W
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM218226 (US9249087, Table 1 , Compound 3) Show SMILES Cc1cc(-c2ccc(cc2)C(=O)NO)c2ccccc12 Show InChI InChI=1S/C17H14NO2/c1-11-10-16(15-5-3-2-4-14(11)15)12-6-8-13(9-7-12)17(19)18-20/h2-10,20H,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.11	n/a	n/a	n/a	n/a	8.0	n/a
THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA US Patent					Assay Description HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...				US Patent US9249087 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z3W
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM124194 (US8748451, 10) Show SMILES ONC(=O)CCCCCCn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C19H22N2O2/c22-19(20-23)13-3-1-2-8-14-21-17-11-6-4-9-15(17)16-10-5-7-12-18(16)21/h4-7,9-12,23H,1-3,8,13-14H2,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	8.0	25
The Board of Trustees of The University of Illinois US Patent					Assay Description HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...				US Patent US8748451 (2014) BindingDB Entry DOI: 10.7270/Q26D5RPK
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380397 (CHEMBL2018304) Show SMILES ONC(=O)c1ccc(Cn2c3CCNCc3c3ccccc23)cc1 Show InChI InChI=1S/C19H19N3O2/c23-19(21-24)14-7-5-13(6-8-14)12-22-17-4-2-1-3-15(17)16-11-20-10-9-18(16)22/h1-8,20,24H,9-12H2,(H,21,23)	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	6.56	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs				J Med Chem 55: 639-51 (2012) Article DOI: 10.1021/jm200773h BindingDB Entry DOI: 10.7270/Q2CJ8FG7
					More data for this Ligand-Target Pair

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