Compile Data Set for Download or QSAR

Found 193 hits with Last Name = 'schroeder' and Initial = 'fa'   

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
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50076216 (Vabicaserin) Show SMILES [H][C@@]12CCC[C@]1([H])c1cccc3CNCCN(C2)c13 |r| Show InChI InChI=1S/C15H20N2/c1-3-11-9-16-7-8-17-10-12-4-2-5-13(12)14(6-1)15(11)17/h1,3,6,12-13,16H,2,4-5,7-10H2/t12-,13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human 5-HT2C receptor				J Med Chem 57: 1488-94 (2014) Article DOI: 10.1021/jm401802f BindingDB Entry DOI: 10.7270/Q2PC35CR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50076245 (CHEMBL1628670 | US10544152, Cpd # 1 | WAY-163909) Show SMILES [H][C@@]12CCC[C@]1([H])c1cccc3CNCCN2c13 |r| Show InChI InChI=1S/C14H18N2/c1-3-10-9-15-7-8-16-13-6-2-4-11(13)12(5-1)14(10)16/h1,3,5,11,13,15H,2,4,6-9H2/t11-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human 5-HT2C receptor				J Med Chem 57: 1488-94 (2014) Article DOI: 10.1021/jm401802f BindingDB Entry DOI: 10.7270/Q2PC35CR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM323704 (US10188756, Compound CN107) Show SMILES Cn1cc(CCNCc2ccc(\C=C\C(=O)NO)cc2)c2ccccc12 Show InChI InChI=1S/C21H23N3O2/c1-24-15-18(19-4-2-3-5-20(19)24)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)23-26/h2-11,15,22,26H,12-14H2,1H3,(H,23,25)/b11-10+	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM323709 (US10188756, Compound CN133 | US11207431, Martinost...) Show SMILES CN(Cc1ccc(\C=C\C(=O)NO)cc1)CC12CC3CC(CC(C3)C1)C2 |TLB:19:20:24:18.23.17,23:18:25:24.22.21,23:22:25:18.19.17,THB:19:18:24:25.20.21| Show InChI InChI=1S/C22H30N2O2/c1-24(14-17-4-2-16(3-5-17)6-7-21(25)23-26)15-22-11-18-8-19(12-22)10-20(9-18)13-22/h2-7,18-20,26H,8-15H2,1H3,(H,23,25)/b7-6+	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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM323704 (US10188756, Compound CN107) Show SMILES Cn1cc(CCNCc2ccc(\C=C\C(=O)NO)cc2)c2ccccc12 Show InChI InChI=1S/C21H23N3O2/c1-24-15-18(19-4-2-3-5-20(19)24)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)23-26/h2-11,15,22,26H,12-14H2,1H3,(H,23,25)/b11-10+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM323717 (US10188756, Compound CN148) Show SMILES ONC(=O)\C=C\c1ccc(CNCC23CC4CC(CC(C4)C2)C3)c(F)c1 |TLB:16:17:21:15.20.14,20:15:22:21.19.18,20:19:22:15.16.14,THB:16:15:21:22.17.18| Show InChI InChI=1S/C21H27FN2O2/c22-19-8-14(2-4-20(25)24-26)1-3-18(19)12-23-13-21-9-15-5-16(10-21)7-17(6-15)11-21/h1-4,8,15-17,23,26H,5-7,9-13H2,(H,24,25)/b4-2+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM323720 (US10188756, Compound CN166) Show SMILES ONC(=O)\C=C\c1ccc(CNCC2CCCCC2)c(F)c1 Show InChI InChI=1S/C17H23FN2O2/c18-16-10-13(7-9-17(21)20-22)6-8-15(16)12-19-11-14-4-2-1-3-5-14/h6-10,14,19,22H,1-5,11-12H2,(H,20,21)/b9-7+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM323709 (US10188756, Compound CN133 | US11207431, Martinost...) Show SMILES CN(Cc1ccc(\C=C\C(=O)NO)cc1)CC12CC3CC(CC(C3)C1)C2 |TLB:19:20:24:18.23.17,23:18:25:24.22.21,23:22:25:18.19.17,THB:19:18:24:25.20.21| Show InChI InChI=1S/C22H30N2O2/c1-24(14-17-4-2-16(3-5-17)6-7-21(25)23-26)15-22-11-18-8-19(12-22)10-20(9-18)13-22/h2-7,18-20,26H,8-15H2,1H3,(H,23,25)/b7-6+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM323718 (US10188756, Compound CN149 | US11207431, Example B) Show SMILES CN(Cc1ccc(\C=C\C(=O)NO)cc1F)CC12CC3CC(CC(C3)C1)C2 |TLB:20:21:25:19.24.18,24:19:26:25.23.22,24:23:26:19.20.18,THB:20:19:25:26.21.22| Show InChI InChI=1S/C22H29FN2O2/c1-25(14-22-10-16-6-17(11-22)8-18(7-16)12-22)13-19-4-2-15(9-20(19)23)3-5-21(26)24-27/h2-5,9,16-18,27H,6-8,10-14H2,1H3,(H,24,26)/b5-3+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM323718 (US10188756, Compound CN149 | US11207431, Example B) Show SMILES CN(Cc1ccc(\C=C\C(=O)NO)cc1F)CC12CC3CC(CC(C3)C1)C2 |TLB:20:21:25:19.24.18,24:19:26:25.23.22,24:23:26:19.20.18,THB:20:19:25:26.21.22| Show InChI InChI=1S/C22H29FN2O2/c1-25(14-22-10-16-6-17(11-22)8-18(7-16)12-22)13-19-4-2-15(9-20(19)23)3-5-21(26)24-27/h2-5,9,16-18,27H,6-8,10-14H2,1H3,(H,24,26)/b5-3+	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	0.780	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM323717 (US10188756, Compound CN148) Show SMILES ONC(=O)\C=C\c1ccc(CNCC23CC4CC(CC(C4)C2)C3)c(F)c1 |TLB:16:17:21:15.20.14,20:15:22:21.19.18,20:19:22:15.16.14,THB:16:15:21:22.17.18| Show InChI InChI=1S/C21H27FN2O2/c22-19-8-14(2-4-20(25)24-26)1-3-18(19)12-23-13-21-9-15-5-16(10-21)7-17(6-15)11-21/h1-4,8,15-17,23,26H,5-7,9-13H2,(H,24,25)/b4-2+	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	0.780	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM323707 (US10188756, Compound CN113) Show SMILES COc1ccc2c(c1)C(=O)N(CCCCCC(=O)NO)c1ccccc1S2(=O)=O Show InChI InChI=1S/C20H22N2O6S/c1-28-14-10-11-17-15(13-14)20(24)22(12-6-2-3-9-19(23)21-25)16-7-4-5-8-18(16)29(17,26)27/h4-5,7-8,10-11,13,25H,2-3,6,9,12H2,1H3,(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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM323709 (US10188756, Compound CN133 | US11207431, Martinost...) Show SMILES CN(Cc1ccc(\C=C\C(=O)NO)cc1)CC12CC3CC(CC(C3)C1)C2 |TLB:19:20:24:18.23.17,23:18:25:24.22.21,23:22:25:18.19.17,THB:19:18:24:25.20.21| Show InChI InChI=1S/C22H30N2O2/c1-24(14-17-4-2-16(3-5-17)6-7-21(25)23-26)15-22-11-18-8-19(12-22)10-20(9-18)13-22/h2-7,18-20,26H,8-15H2,1H3,(H,23,25)/b7-6+	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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM323708 (US10188756, Compound CN132) Show SMILES ONC(=O)\C=C\c1ccc(CNCC23CC4CC(CC(C4)C2)C3)cc1 |TLB:16:17:21:15.20.14,20:15:22:21.19.18,20:19:22:15.16.14,THB:16:15:21:22.17.18| Show InChI InChI=1S/C21H28N2O2/c24-20(23-25)6-5-15-1-3-16(4-2-15)13-22-14-21-10-17-7-18(11-21)9-19(8-17)12-21/h1-6,17-19,22,25H,7-14H2,(H,23,24)/b6-5+	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	0.950	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM323706 (US10188756, Compound CN112) Show SMILES COc1ccc2Sc3ccccc3N(CCCCCC(=O)NO)C(=O)c2c1 Show InChI InChI=1S/C20H22N2O4S/c1-26-14-10-11-17-15(13-14)20(24)22(12-6-2-3-9-19(23)21-25)16-7-4-5-8-18(16)27-17/h4-5,7-8,10-11,13,25H,2-3,6,9,12H2,1H3,(H,21,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM323707 (US10188756, Compound CN113) Show SMILES COc1ccc2c(c1)C(=O)N(CCCCCC(=O)NO)c1ccccc1S2(=O)=O Show InChI InChI=1S/C20H22N2O6S/c1-28-14-10-11-17-15(13-14)20(24)22(12-6-2-3-9-19(23)21-25)16-7-4-5-8-18(16)29(17,26)27/h4-5,7-8,10-11,13,25H,2-3,6,9,12H2,1H3,(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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM323708 (US10188756, Compound CN132) Show SMILES ONC(=O)\C=C\c1ccc(CNCC23CC4CC(CC(C4)C2)C3)cc1 |TLB:16:17:21:15.20.14,20:15:22:21.19.18,20:19:22:15.16.14,THB:16:15:21:22.17.18| Show InChI InChI=1S/C21H28N2O2/c24-20(23-25)6-5-15-1-3-16(4-2-15)13-22-14-21-10-17-7-18(11-21)9-19(8-17)12-21/h1-6,17-19,22,25H,7-14H2,(H,23,24)/b6-5+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM323704 (US10188756, Compound CN107) Show SMILES Cn1cc(CCNCc2ccc(\C=C\C(=O)NO)cc2)c2ccccc12 Show InChI InChI=1S/C21H23N3O2/c1-24-15-18(19-4-2-3-5-20(19)24)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)23-26/h2-11,15,22,26H,12-14H2,1H3,(H,23,25)/b11-10+	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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM323706 (US10188756, Compound CN112) Show SMILES COc1ccc2Sc3ccccc3N(CCCCCC(=O)NO)C(=O)c2c1 Show InChI InChI=1S/C20H22N2O4S/c1-26-14-10-11-17-15(13-14)20(24)22(12-6-2-3-9-19(23)21-25)16-7-4-5-8-18(16)27-17/h4-5,7-8,10-11,13,25H,2-3,6,9,12H2,1H3,(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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM323707 (US10188756, Compound CN113) Show SMILES COc1ccc2c(c1)C(=O)N(CCCCCC(=O)NO)c1ccccc1S2(=O)=O Show InChI InChI=1S/C20H22N2O6S/c1-28-14-10-11-17-15(13-14)20(24)22(12-6-2-3-9-19(23)21-25)16-7-4-5-8-18(16)29(17,26)27/h4-5,7-8,10-11,13,25H,2-3,6,9,12H2,1H3,(H,21,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM323704 (US10188756, Compound CN107) Show SMILES Cn1cc(CCNCc2ccc(\C=C\C(=O)NO)cc2)c2ccccc12 Show InChI InChI=1S/C21H23N3O2/c1-24-15-18(19-4-2-3-5-20(19)24)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)23-26/h2-11,15,22,26H,12-14H2,1H3,(H,23,25)/b11-10+	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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM323720 (US10188756, Compound CN166) Show SMILES ONC(=O)\C=C\c1ccc(CNCC2CCCCC2)c(F)c1 Show InChI InChI=1S/C17H23FN2O2/c18-16-10-13(7-9-17(21)20-22)6-8-15(16)12-19-11-14-4-2-1-3-5-14/h6-10,14,19,22H,1-5,11-12H2,(H,20,21)/b9-7+	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	1.64	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM323708 (US10188756, Compound CN132) Show SMILES ONC(=O)\C=C\c1ccc(CNCC23CC4CC(CC(C4)C2)C3)cc1 |TLB:16:17:21:15.20.14,20:15:22:21.19.18,20:19:22:15.16.14,THB:16:15:21:22.17.18| Show InChI InChI=1S/C21H28N2O2/c24-20(23-25)6-5-15-1-3-16(4-2-15)13-22-14-21-10-17-7-18(11-21)9-19(8-17)12-21/h1-6,17-19,22,25H,7-14H2,(H,23,24)/b6-5+	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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM323712 (US10188756, Compound CN143) Show SMILES ONC(=O)\C=C\c1ccc(CNCC2CCCCC2)cc1 Show InChI InChI=1S/C17H24N2O2/c20-17(19-21)11-10-14-6-8-16(9-7-14)13-18-12-15-4-2-1-3-5-15/h6-11,15,18,21H,1-5,12-13H2,(H,19,20)/b11-10+	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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50353238 (CHEMBL1830399 | US10188756, Compound CN101) Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(C)C Show InChI InChI=1S/C18H26N4O2/c1-4-5-6-17-19-15-13-14(8-10-18(23)20-24)7-9-16(15)22(17)12-11-21(2)3/h7-10,13,24H,4-6,11-12H2,1-3H3,(H,20,23)/b10-8+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM323707 (US10188756, Compound CN113) Show SMILES COc1ccc2c(c1)C(=O)N(CCCCCC(=O)NO)c1ccccc1S2(=O)=O Show InChI InChI=1S/C20H22N2O6S/c1-28-14-10-11-17-15(13-14)20(24)22(12-6-2-3-9-19(23)21-25)16-7-4-5-8-18(16)29(17,26)27/h4-5,7-8,10-11,13,25H,2-3,6,9,12H2,1H3,(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	2	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM323719 (US10188756, Compound CN165) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1OC Show InChI InChI=1S/C20H25N3O4/c1-3-4-13-23(14-15-9-11-16(12-10-15)19(24)22-26)20(25)21-17-7-5-6-8-18(17)27-2/h5-12,26H,3-4,13-14H2,1-2H3,(H,21,25)(H,22,24)	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	2.13	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM323706 (US10188756, Compound CN112) Show SMILES COc1ccc2Sc3ccccc3N(CCCCCC(=O)NO)C(=O)c2c1 Show InChI InChI=1S/C20H22N2O4S/c1-26-14-10-11-17-15(13-14)20(24)22(12-6-2-3-9-19(23)21-25)16-7-4-5-8-18(16)27-17/h4-5,7-8,10-11,13,25H,2-3,6,9,12H2,1H3,(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	2.30	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM323702 (US10188756, Compound CN89) Show SMILES CN(CCc1ccccc1)S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1 Show InChI InChI=1S/C18H20N2O4S/c1-20(13-12-15-6-3-2-4-7-15)25(23,24)17-9-5-8-16(14-17)10-11-18(21)19-22/h2-11,14,22H,12-13H2,1H3,(H,19,21)/b11-10+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 2 (Homo sapiens (Human))	BDBM323706 (US10188756, Compound CN112) Show SMILES COc1ccc2Sc3ccccc3N(CCCCCC(=O)NO)C(=O)c2c1 Show InChI InChI=1S/C20H22N2O4S/c1-26-14-10-11-17-15(13-14)20(24)22(12-6-2-3-9-19(23)21-25)16-7-4-5-8-18(16)27-17/h4-5,7-8,10-11,13,25H,2-3,6,9,12H2,1H3,(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	4	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM323701 (US10188756, Compound CN88) Show SMILES CN(c1ccccc1)S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1 Show InChI InChI=1S/C16H16N2O4S/c1-18(14-7-3-2-4-8-14)23(21,22)15-9-5-6-13(12-15)10-11-16(19)17-20/h2-12,20H,1H3,(H,17,19)/b11-10+	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	4.10	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM323709 (US10188756, Compound CN133 | US11207431, Martinost...) Show SMILES CN(Cc1ccc(\C=C\C(=O)NO)cc1)CC12CC3CC(CC(C3)C1)C2 |TLB:19:20:24:18.23.17,23:18:25:24.22.21,23:22:25:18.19.17,THB:19:18:24:25.20.21| Show InChI InChI=1S/C22H30N2O2/c1-24(14-17-4-2-16(3-5-17)6-7-21(25)23-26)15-22-11-18-8-19(12-22)10-20(9-18)13-22/h2-7,18-20,26H,8-15H2,1H3,(H,23,25)/b7-6+	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	4.10	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50082665 (4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...) Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM323712 (US10188756, Compound CN143) Show SMILES ONC(=O)\C=C\c1ccc(CNCC2CCCCC2)cc1 Show InChI InChI=1S/C17H24N2O2/c20-17(19-21)11-10-14-6-8-16(9-7-14)13-18-12-15-4-2-1-3-5-15/h6-11,15,18,21H,1-5,12-13H2,(H,19,20)/b11-10+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50353238 (CHEMBL1830399 | US10188756, Compound CN101) Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(C)C Show InChI InChI=1S/C18H26N4O2/c1-4-5-6-17-19-15-13-14(8-10-18(23)20-24)7-9-16(15)22(17)12-11-21(2)3/h7-10,13,24H,4-6,11-12H2,1-3H3,(H,20,23)/b10-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM323721 (US10188756, Compound CN167) Show SMILES CN(CC1CCCCC1)Cc1ccc(\C=C\C(=O)NO)cc1F Show InChI InChI=1S/C18H25FN2O2/c1-21(12-15-5-3-2-4-6-15)13-16-9-7-14(11-17(16)19)8-10-18(22)20-23/h7-11,15,23H,2-6,12-13H2,1H3,(H,20,22)/b10-8+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.83	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM323702 (US10188756, Compound CN89) Show SMILES CN(CCc1ccccc1)S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1 Show InChI InChI=1S/C18H20N2O4S/c1-20(13-12-15-6-3-2-4-7-15)25(23,24)17-9-5-8-16(14-17)10-11-18(21)19-22/h2-11,14,22H,12-13H2,1H3,(H,19,21)/b11-10+	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	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM323702 (US10188756, Compound CN89) Show SMILES CN(CCc1ccccc1)S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1 Show InChI InChI=1S/C18H20N2O4S/c1-20(13-12-15-6-3-2-4-7-15)25(23,24)17-9-5-8-16(14-17)10-11-18(21)19-22/h2-11,14,22H,12-13H2,1H3,(H,19,21)/b11-10+	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	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM323721 (US10188756, Compound CN167) Show SMILES CN(CC1CCCCC1)Cc1ccc(\C=C\C(=O)NO)cc1F Show InChI InChI=1S/C18H25FN2O2/c1-21(12-15-5-3-2-4-6-15)13-16-9-7-14(11-17(16)19)8-10-18(22)20-23/h7-11,15,23H,2-6,12-13H2,1H3,(H,20,22)/b10-8+	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	5.43	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM323696 (US10188756, Compound CN53) Show SMILES CNc1ccc(cc1)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C15H23N3O3/c1-16-13-9-7-12(8-10-13)15(20)17-11-5-3-2-4-6-14(19)18-21/h7-10,16,21H,2-6,11H2,1H3,(H,17,20)(H,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM323696 (US10188756, Compound CN53) Show SMILES CNc1ccc(cc1)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C15H23N3O3/c1-16-13-9-7-12(8-10-13)15(20)17-11-5-3-2-4-6-14(19)18-21/h7-10,16,21H,2-6,11H2,1H3,(H,17,20)(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	6.10	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM323717 (US10188756, Compound CN148) Show SMILES ONC(=O)\C=C\c1ccc(CNCC23CC4CC(CC(C4)C2)C3)c(F)c1 |TLB:16:17:21:15.20.14,20:15:22:21.19.18,20:19:22:15.16.14,THB:16:15:21:22.17.18| Show InChI InChI=1S/C21H27FN2O2/c22-19-8-14(2-4-20(25)24-26)1-3-18(19)12-23-13-21-9-15-5-16(10-21)7-17(6-15)11-21/h1-4,8,15-17,23,26H,5-7,9-13H2,(H,24,25)/b4-2+	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	6.40	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM323718 (US10188756, Compound CN149 | US11207431, Example B) Show SMILES CN(Cc1ccc(\C=C\C(=O)NO)cc1F)CC12CC3CC(CC(C3)C1)C2 |TLB:20:21:25:19.24.18,24:19:26:25.23.22,24:23:26:19.20.18,THB:20:19:25:26.21.22| Show InChI InChI=1S/C22H29FN2O2/c1-25(14-22-10-16-6-17(11-22)8-18(7-16)12-22)13-19-4-2-15(9-20(19)23)3-5-21(26)24-27/h2-5,9,16-18,27H,6-8,10-14H2,1H3,(H,24,26)/b5-3+	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	7	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM323697 (US10188756, Compound CN54) Show SMILES ONC(=O)c1ccc(cc1)C1=Nc2ccccc2Oc2ccccc12 |t:11| Show InChI InChI=1S/C20H14N2O3/c23-20(22-24)14-11-9-13(10-12-14)19-15-5-1-3-7-17(15)25-18-8-4-2-6-16(18)21-19/h1-12,24H,(H,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50082665 (4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...) Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM323708 (US10188756, Compound CN132) Show SMILES ONC(=O)\C=C\c1ccc(CNCC23CC4CC(CC(C4)C2)C3)cc1 |TLB:16:17:21:15.20.14,20:15:22:21.19.18,20:19:22:15.16.14,THB:16:15:21:22.17.18| Show InChI InChI=1S/C21H28N2O2/c24-20(23-25)6-5-15-1-3-16(4-2-15)13-22-14-21-10-17-7-18(11-21)9-19(8-17)12-21/h1-6,17-19,22,25H,7-14H2,(H,23,24)/b6-5+	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	7.80	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50353238 (CHEMBL1830399 | US10188756, Compound CN101) Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(C)C Show InChI InChI=1S/C18H26N4O2/c1-4-5-6-17-19-15-13-14(8-10-18(23)20-24)7-9-16(15)22(17)12-11-21(2)3/h7-10,13,24H,4-6,11-12H2,1-3H3,(H,20,23)/b10-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
The General Hospital Corporation US Patent					Assay Description All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...				US Patent US10188756 (2019) BindingDB Entry DOI: 10.7270/Q20Z75CX
					More data for this Ligand-Target Pair

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