Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 215   

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 4 (Homo sapiens (Human))	BDBM228164 (US10047073, 6 | US10047073, 7) Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)NC1(CN2CCCC2C2CC2)CC1 Show InChI InChI=1S/C21H23F3N4O2/c22-21(23,24)19-25-17(27-30-19)14-5-7-15(8-6-14)18(29)26-20(9-10-20)12-28-11-1-2-16(28)13-3-4-13/h5-8,13,16H,1-4,9-12H2,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC US Patent					Assay Description The Class I HDAC activity of Class IIa Histone Deacetylase (HDAC) inhibitors was quantified by measuring the cellular histone deacetylase enzymatic a...				US Patent US10047073 (2018) BindingDB Entry DOI: 10.7270/Q2PG1TQC
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM228164 (US10047073, 6 | US10047073, 7) Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)NC1(CN2CCCC2C2CC2)CC1 Show InChI InChI=1S/C21H23F3N4O2/c22-21(23,24)19-25-17(27-30-19)14-5-7-15(8-6-14)18(29)26-20(9-10-20)12-28-11-1-2-16(28)13-3-4-13/h5-8,13,16H,1-4,9-12H2,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC US Patent					Assay Description The Class I HDAC activity of Class IIa Histone Deacetylase (HDAC) inhibitors was quantified by measuring the cellular histone deacetylase enzymatic a...				US Patent US10047073 (2018) BindingDB Entry DOI: 10.7270/Q2PG1TQC
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM228166 (US10047073, 8) Show SMILES CC1(C)CCC[NH+](CC2(CC2)NC(=O)c2ccc(cc2)-c2noc(n2)C(F)(F)F)C1 Show InChI InChI=1S/C21H25F3N4O2/c1-19(2)8-3-11-28(12-19)13-20(9-10-20)26-17(29)15-6-4-14(5-7-15)16-25-18(30-27-16)21(22,23)24/h4-7H,3,8-13H2,1-2H3,(H,26,29)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC US Patent					Assay Description The Class I HDAC activity of Class IIa Histone Deacetylase (HDAC) inhibitors was quantified by measuring the cellular histone deacetylase enzymatic a...				US Patent US10047073 (2018) BindingDB Entry DOI: 10.7270/Q2PG1TQC
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM228159 (US10047073, 1) Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)NC1(CN2CCCC3(CC3)C2)CC1 Show InChI InChI=1S/C21H23F3N4O2/c22-21(23,24)18-25-16(27-30-18)14-2-4-15(5-3-14)17(29)26-20(9-10-20)13-28-11-1-6-19(12-28)7-8-19/h2-5H,1,6-13H2,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC US Patent					Assay Description The Class I HDAC activity of Class IIa Histone Deacetylase (HDAC) inhibitors was quantified by measuring the cellular histone deacetylase enzymatic a...				US Patent US10047073 (2018) BindingDB Entry DOI: 10.7270/Q2PG1TQC
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM228169 (US10047073, 9) Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)NC1(CN2CCC3(CC3)C2)CCC1 Show InChI InChI=1S/C21H23F3N4O2/c22-21(23,24)18-25-16(27-30-18)14-2-4-15(5-3-14)17(29)26-20(6-1-7-20)13-28-11-10-19(12-28)8-9-19/h2-5H,1,6-13H2,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC US Patent					Assay Description The Class I HDAC activity of Class IIa Histone Deacetylase (HDAC) inhibitors was quantified by measuring the cellular histone deacetylase enzymatic a...				US Patent US10047073 (2018) BindingDB Entry DOI: 10.7270/Q2PG1TQC
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM228173 (US10047073, 12) Show SMILES CC1(C)CCCN(CC2(CC2)NC(=O)c2ccc(-c3noc(n3)C(F)(F)F)c(F)c2)C1 Show InChI InChI=1S/C21H24F4N4O2/c1-19(2)6-3-9-29(11-19)12-20(7-8-20)27-17(30)13-4-5-14(15(22)10-13)16-26-18(31-28-16)21(23,24)25/h4-5,10H,3,6-9,11-12H2,1-2H3,(H,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC US Patent					Assay Description The Class I HDAC activity of Class IIa Histone Deacetylase (HDAC) inhibitors was quantified by measuring the cellular histone deacetylase enzymatic a...				US Patent US10047073 (2018) BindingDB Entry DOI: 10.7270/Q2PG1TQC
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM228163 (US10047073, 5) Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)NC1(CN2CCC3(CC3)CC2)CC1 Show InChI InChI=1S/C21H23F3N4O2/c22-21(23,24)18-25-16(27-30-18)14-1-3-15(4-2-14)17(29)26-20(7-8-20)13-28-11-9-19(5-6-19)10-12-28/h1-4H,5-13H2,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC US Patent					Assay Description The Class I HDAC activity of Class IIa Histone Deacetylase (HDAC) inhibitors was quantified by measuring the cellular histone deacetylase enzymatic a...				US Patent US10047073 (2018) BindingDB Entry DOI: 10.7270/Q2PG1TQC
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM228160 (US10047073, 2) Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)NC1(CN2CCC3(COC3)CC2)CC1 Show InChI InChI=1S/C21H23F3N4O3/c22-21(23,24)18-25-16(27-31-18)14-1-3-15(4-2-14)17(29)26-20(5-6-20)11-28-9-7-19(8-10-28)12-30-13-19/h1-4H,5-13H2,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC US Patent					Assay Description The Class I HDAC activity of Class IIa Histone Deacetylase (HDAC) inhibitors was quantified by measuring the cellular histone deacetylase enzymatic a...				US Patent US10047073 (2018) BindingDB Entry DOI: 10.7270/Q2PG1TQC
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM228172 (US10047073, 11) Show SMILES C[C@H]1CCC[NH+]1CC1CC1NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C19H21F3N4O2/c1-11-3-2-8-26(11)10-14-9-15(14)23-17(27)13-6-4-12(5-7-13)16-24-18(28-25-16)19(20,21)22/h4-7,11,14-15H,2-3,8-10H2,1H3,(H,23,27)/p+1/t11-,14?,15?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC US Patent					Assay Description The Class I HDAC activity of Class IIa Histone Deacetylase (HDAC) inhibitors was quantified by measuring the cellular histone deacetylase enzymatic a...				US Patent US10047073 (2018) BindingDB Entry DOI: 10.7270/Q2PG1TQC
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM228162 (US10047073, 4) Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)NC1(CN2CC3CCC(C3)C2)CC1 Show InChI InChI=1S/C21H23F3N4O2/c22-21(23,24)19-25-17(27-30-19)15-3-5-16(6-4-15)18(29)26-20(7-8-20)12-28-10-13-1-2-14(9-13)11-28/h3-6,13-14H,1-2,7-12H2,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC US Patent					Assay Description The Class I HDAC activity of Class IIa Histone Deacetylase (HDAC) inhibitors was quantified by measuring the cellular histone deacetylase enzymatic a...				US Patent US10047073 (2018) BindingDB Entry DOI: 10.7270/Q2PG1TQC
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM228161 (US10047073, 3) Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)NC1(CN2CCCC22COC2)CCC1 Show InChI InChI=1S/C21H23F3N4O3/c22-21(23,24)18-25-16(27-31-18)14-3-5-15(6-4-14)17(29)26-19(7-1-8-19)11-28-10-2-9-20(28)12-30-13-20/h3-6H,1-2,7-13H2,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC US Patent					Assay Description The Class I HDAC activity of Class IIa Histone Deacetylase (HDAC) inhibitors was quantified by measuring the cellular histone deacetylase enzymatic a...				US Patent US10047073 (2018) BindingDB Entry DOI: 10.7270/Q2PG1TQC
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM228171 (US10047073, 10) Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)NC1(CN2CCCC22COC2)CC1 Show InChI InChI=1S/C20H21F3N4O3/c21-20(22,23)17-24-15(26-30-17)13-2-4-14(5-3-13)16(28)25-18(7-8-18)10-27-9-1-6-19(27)11-29-12-19/h2-5H,1,6-12H2,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
CHDI FOUNDATION, INC US Patent					Assay Description The Class I HDAC activity of Class IIa Histone Deacetylase (HDAC) inhibitors was quantified by measuring the cellular histone deacetylase enzymatic a...				US Patent US10047073 (2018) BindingDB Entry DOI: 10.7270/Q2PG1TQC
					More data for this Ligand-Target Pair