Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 1935   

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))	BDBM347454 (MO-OH-TM | US9790158, 5) Show SMILES COc1ccc(c(OC)c1OC)-c1ccccc(O)c1=O Show InChI InChI=1S/C16H16O5/c1-19-13-9-8-11(15(20-2)16(13)21-3)10-6-4-5-7-12(17)14(10)18/h4-9H,1-3H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF CONNECTICUT US Patent					Assay Description Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...				US Patent US9790158 (2017) BindingDB Entry DOI: 10.7270/Q2QZ2D3V
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM347330 (MO-OH-PHE | US9790158, 1) Show SMILES Oc1ccccc(-c2ccccc2)c1=O Show InChI InChI=1S/C13H10O2/c14-12-9-5-4-8-11(13(12)15)10-6-2-1-3-7-10/h1-9H,(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF CONNECTICUT US Patent					Assay Description Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...				US Patent US9790158 (2017) BindingDB Entry DOI: 10.7270/Q2QZ2D3V
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM347452 (MO-OH-SM | US9790158, 3) Show SMILES COc1ccc(cc1)-c1ccccc(O)c1=O Show InChI InChI=1S/C14H12O3/c1-17-11-8-6-10(7-9-11)12-4-2-3-5-13(15)14(12)16/h2-9H,1H3,(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF CONNECTICUT US Patent					Assay Description Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...				US Patent US9790158 (2017) BindingDB Entry DOI: 10.7270/Q2QZ2D3V
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM347330 (MO-OH-PHE | US9790158, 1) Show SMILES Oc1ccccc(-c2ccccc2)c1=O Show InChI InChI=1S/C13H10O2/c14-12-9-5-4-8-11(13(12)15)10-6-2-1-3-7-10/h1-9H,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF CONNECTICUT US Patent					Assay Description Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...				US Patent US9790158 (2017) BindingDB Entry DOI: 10.7270/Q2QZ2D3V
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM347453 (MO-OH-DM | US9790158, 4) Show SMILES COc1ccc(OC)c(c1)-c1ccccc(O)c1=O Show InChI InChI=1S/C15H14O4/c1-18-10-7-8-14(19-2)12(9-10)11-5-3-4-6-13(16)15(11)17/h3-9H,1-2H3,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF CONNECTICUT US Patent					Assay Description Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...				US Patent US9790158 (2017) BindingDB Entry DOI: 10.7270/Q2QZ2D3V
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM347451 (MO-OH-NAP | US9790158, 2) Show SMILES Oc1ccccc(-c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C17H12O2/c18-16-8-4-3-7-15(17(16)19)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF CONNECTICUT US Patent					Assay Description Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...				US Patent US9790158 (2017) BindingDB Entry DOI: 10.7270/Q2QZ2D3V
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM347456 (US9790158, 7) Show SMILES COc1cccc(c1)-c1cccc(O)c(=O)c1 Show InChI InChI=1S/C14H12O3/c1-17-12-6-2-4-10(8-12)11-5-3-7-13(15)14(16)9-11/h2-9H,1H3,(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF CONNECTICUT US Patent					Assay Description Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...				US Patent US9790158 (2017) BindingDB Entry DOI: 10.7270/Q2QZ2D3V
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM347457 (US9790158, 8) Show SMILES COc1ccc(OC)c(c1)-c1cccc(O)c(=O)c1 Show InChI InChI=1S/C15H14O4/c1-18-11-6-7-15(19-2)12(9-11)10-4-3-5-13(16)14(17)8-10/h3-9H,1-2H3,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF CONNECTICUT US Patent					Assay Description Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...				US Patent US9790158 (2017) BindingDB Entry DOI: 10.7270/Q2QZ2D3V
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM347456 (US9790158, 7) Show SMILES COc1cccc(c1)-c1cccc(O)c(=O)c1 Show InChI InChI=1S/C14H12O3/c1-17-12-6-2-4-10(8-12)11-5-3-7-13(15)14(16)9-11/h2-9H,1H3,(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF CONNECTICUT US Patent					Assay Description Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...				US Patent US9790158 (2017) BindingDB Entry DOI: 10.7270/Q2QZ2D3V
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM348884 (US9790158, 10) Show SMILES CC(C)(C)c1cccc(O)c(=O)c1 Show InChI InChI=1S/C11H14O2/c1-11(2,3)8-5-4-6-9(12)10(13)7-8/h4-7H,1-3H3,(H,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF CONNECTICUT US Patent					Assay Description Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...				US Patent US9790158 (2017) BindingDB Entry DOI: 10.7270/Q2QZ2D3V
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM347452 (MO-OH-SM | US9790158, 3) Show SMILES COc1ccc(cc1)-c1ccccc(O)c1=O Show InChI InChI=1S/C14H12O3/c1-17-11-8-6-10(7-9-11)12-4-2-3-5-13(15)14(12)16/h2-9H,1H3,(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF CONNECTICUT US Patent					Assay Description Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...				US Patent US9790158 (2017) BindingDB Entry DOI: 10.7270/Q2QZ2D3V
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM79632 (2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one...) Show SMILES CC(C)c1cccc(O)c(=O)c1 Show InChI InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	3.32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF CONNECTICUT US Patent					Assay Description Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...				US Patent US9790158 (2017) BindingDB Entry DOI: 10.7270/Q2QZ2D3V
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM347461 (US9790158, 12) Show SMILES Oc1cccc(cc1=O)C1CCCC1 Show InChI InChI=1S/C12H14O2/c13-11-7-3-6-10(8-12(11)14)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF CONNECTICUT US Patent					Assay Description Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...				US Patent US9790158 (2017) BindingDB Entry DOI: 10.7270/Q2QZ2D3V
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM347451 (MO-OH-NAP | US9790158, 2) Show SMILES Oc1ccccc(-c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C17H12O2/c18-16-8-4-3-7-15(17(16)19)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,(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	7.63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF CONNECTICUT US Patent					Assay Description Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...				US Patent US9790158 (2017) BindingDB Entry DOI: 10.7270/Q2QZ2D3V
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM347460 (US9790158, 11) Show SMILES CCC(C)c1cccc(O)c(=O)c1 Show InChI InChI=1S/C11H14O2/c1-3-8(2)9-5-4-6-10(12)11(13)7-9/h4-8H,3H2,1-2H3,(H,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF CONNECTICUT US Patent					Assay Description Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...				US Patent US9790158 (2017) BindingDB Entry DOI: 10.7270/Q2QZ2D3V
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM348883 (US9790158, 6) Show SMILES Oc1cc(cccc1=O)-c1ccccc1 Show InChI InChI=1S/C13H10O2/c14-12-8-4-7-11(9-13(12)15)10-5-2-1-3-6-10/h1-9H,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	19.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF CONNECTICUT US Patent					Assay Description Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...				US Patent US9790158 (2017) BindingDB Entry DOI: 10.7270/Q2QZ2D3V
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM347461 (US9790158, 12) Show SMILES Oc1cccc(cc1=O)C1CCCC1 Show InChI InChI=1S/C12H14O2/c13-11-7-3-6-10(8-12(11)14)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	23.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF CONNECTICUT US Patent					Assay Description Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...				US Patent US9790158 (2017) BindingDB Entry DOI: 10.7270/Q2QZ2D3V
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM347454 (MO-OH-TM | US9790158, 5) Show SMILES COc1ccc(c(OC)c1OC)-c1ccccc(O)c1=O Show InChI InChI=1S/C16H16O5/c1-19-13-9-8-11(15(20-2)16(13)21-3)10-6-4-5-7-12(17)14(10)18/h4-9H,1-3H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF CONNECTICUT US Patent					Assay Description Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...				US Patent US9790158 (2017) BindingDB Entry DOI: 10.7270/Q2QZ2D3V
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM348883 (US9790158, 6) Show SMILES Oc1cc(cccc1=O)-c1ccccc1 Show InChI InChI=1S/C13H10O2/c14-12-8-4-7-11(9-13(12)15)10-5-2-1-3-6-10/h1-9H,(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	72.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF CONNECTICUT US Patent					Assay Description Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...				US Patent US9790158 (2017) BindingDB Entry DOI: 10.7270/Q2QZ2D3V
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM347460 (US9790158, 11) Show SMILES CCC(C)c1cccc(O)c(=O)c1 Show InChI InChI=1S/C11H14O2/c1-3-8(2)9-5-4-6-10(12)11(13)7-9/h4-8H,3H2,1-2H3,(H,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	94.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF CONNECTICUT US Patent					Assay Description Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...				US Patent US9790158 (2017) BindingDB Entry DOI: 10.7270/Q2QZ2D3V
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM79632 (2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one...) Show SMILES CC(C)c1cccc(O)c(=O)c1 Show InChI InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF CONNECTICUT US Patent					Assay Description Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...				US Patent US9790158 (2017) BindingDB Entry DOI: 10.7270/Q2QZ2D3V
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM347453 (MO-OH-DM | US9790158, 4) Show SMILES COc1ccc(OC)c(c1)-c1ccccc(O)c1=O Show InChI InChI=1S/C15H14O4/c1-18-10-7-8-14(19-2)12(9-10)11-5-3-4-6-13(16)15(11)17/h3-9H,1-2H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	184	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF CONNECTICUT US Patent					Assay Description Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...				US Patent US9790158 (2017) BindingDB Entry DOI: 10.7270/Q2QZ2D3V
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM348884 (US9790158, 10) Show SMILES CC(C)(C)c1cccc(O)c(=O)c1 Show InChI InChI=1S/C11H14O2/c1-11(2,3)8-5-4-6-9(12)10(13)7-8/h4-7H,1-3H3,(H,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	489	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF CONNECTICUT US Patent					Assay Description Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...				US Patent US9790158 (2017) BindingDB Entry DOI: 10.7270/Q2QZ2D3V
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM347457 (US9790158, 8) Show SMILES COc1ccc(OC)c(c1)-c1cccc(O)c(=O)c1 Show InChI InChI=1S/C15H14O4/c1-18-11-6-7-15(19-2)12(9-11)10-4-3-5-13(16)14(17)8-10/h3-9H,1-2H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	541	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF CONNECTICUT US Patent					Assay Description Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...				US Patent US9790158 (2017) BindingDB Entry DOI: 10.7270/Q2QZ2D3V
					More data for this Ligand-Target Pair