BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID of Ligand PubChem SID of Ligand ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence PDB ID(s) of Target Chain UniProt (SwissProt) Recommended Name of Target Chain UniProt (SwissProt) Entry Name of Target Chain UniProt (SwissProt) Primary ID of Target Chain UniProt (SwissProt) Secondary ID(s) of Target Chain UniProt (SwissProt) Alternative ID(s) of Target Chain UniProt (TrEMBL) Submitted Name of Target Chain UniProt (TrEMBL) Entry Name of Target Chain UniProt (TrEMBL) Primary ID of Target Chain UniProt (TrEMBL) Secondary ID(s) of Target Chain UniProt (TrEMBL) Alternative ID(s) of Target Chain 489777 C[C@H](C[NH+]1CCC[C@@H]1C)NC(=O)c1ccc(-c2noc(n2)C(F)(F)F)c(C)c1 InChI=1S/C19H23F3N4O2/c1-11-9-14(17(27)23-12(2)10-26-8-4-5-13(26)3)6-7-15(11)16-24-18(28-25-16)19(20,21)22/h6-7,9,12-13H,4-5,8,10H2,1-3H3,(H,23,27)/p+1/t12-,13+/m1/s1 NFAMHFFXTOUWNK-OLZOCXBDSA-O 242582 (2S)-2-Methyl-1-((R)-2-(3-methyl-4-(5- (trifluoromethyl)-1,2,4-oxadiazol-3- yl)benzamido)propyl)pyrrolidin-1-ium formate::US10053434, 1 Histone deacetylase 4 [648-1032] 100.0 US Patent 10.7270/Q2MG7RJZ aid1795153 US10053434 Maillard, MC; Breccia, P; Dominguez, C; Haughan, AF; Van de Poel, A; Stott, AJ; Luckhurst, CA; Saville-Stones, EA; Wishart, G; Wall, M; Jarvis, RE CHDI Foundation Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242582 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=405&target=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242582&enzyme=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search 134823045 376221377 1 TKPRFTTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQETGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPLNRQKLDSKKLLGSLASVFVRLPCGGVGVDSDTIWNEVHSAGAARLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELDPLPEKVLQQRPNANAVRSMEKVMEIHSKYWRCLQ 2VQJ,2VQM,2VQQ,4CBT,6FYZ Histone deacetylase 4 HDAC4_HUMAN P56524 E9PGB9 F5GX36 Q86YH7 Q9UND6 489778 FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)NCCN1CC2CCC(C2)C1 InChI=1S/C19H21F3N4O2/c20-19(21,22)18-24-16(25-28-18)14-3-5-15(6-4-14)17(27)23-7-8-26-10-12-1-2-13(9-12)11-26/h3-6,12-13H,1-2,7-11H2,(H,23,27) HMUGKBRTVPNJFM-UHFFFAOYSA-N 242584 N-(2-(3-Azabicyclo[3.2.1]octan-3- yl)ethyl)-4-(5-(trifluoromethyl)-1,2,4- oxadiazol-3-yl)benzamide::US10053434, 2 Histone deacetylase 4 [648-1032] 140 US Patent 10.7270/Q2MG7RJZ aid1795153 US10053434 Maillard, MC; Breccia, P; Dominguez, C; Haughan, AF; Van de Poel, A; Stott, AJ; Luckhurst, CA; Saville-Stones, EA; Wishart, G; Wall, M; Jarvis, RE CHDI Foundation Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242584 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=405&target=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242584&enzyme=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search 122669532 376221379 1 TKPRFTTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQETGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPLNRQKLDSKKLLGSLASVFVRLPCGGVGVDSDTIWNEVHSAGAARLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELDPLPEKVLQQRPNANAVRSMEKVMEIHSKYWRCLQ 2VQJ,2VQM,2VQQ,4CBT,6FYZ Histone deacetylase 4 HDAC4_HUMAN P56524 E9PGB9 F5GX36 Q86YH7 Q9UND6 489779 C[C@H](CN1Cc2ccccc2C1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F InChI=1S/C21H19F3N4O2/c1-13(10-28-11-16-4-2-3-5-17(16)12-28)25-19(29)15-8-6-14(7-9-15)18-26-20(30-27-18)21(22,23)24/h2-9,13H,10-12H2,1H3,(H,25,29)/t13-/m1/s1 GAKKVPPZDBDLED-CYBMUJFWSA-N 242586 (R)-N-(1-(Isoindolin-2-yl)propan-2-yl)- 4-(5-(trifluoromethyl)-1,2,4-oxadiazol- 3-yl)benzamide::US10053434, 3 Histone deacetylase 4 [648-1032] 39.0 US Patent 10.7270/Q2MG7RJZ aid1795153 US10053434 Maillard, MC; Breccia, P; Dominguez, C; Haughan, AF; Van de Poel, A; Stott, AJ; Luckhurst, CA; Saville-Stones, EA; Wishart, G; Wall, M; Jarvis, RE CHDI Foundation Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=405&target=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242586&enzyme=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search 122669563 376221381 1 TKPRFTTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQETGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPLNRQKLDSKKLLGSLASVFVRLPCGGVGVDSDTIWNEVHSAGAARLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELDPLPEKVLQQRPNANAVRSMEKVMEIHSKYWRCLQ 2VQJ,2VQM,2VQQ,4CBT,6FYZ Histone deacetylase 4 HDAC4_HUMAN P56524 E9PGB9 F5GX36 Q86YH7 Q9UND6 489780 C[C@H](CN1CC2CC2C1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F InChI=1S/C18H19F3N4O2/c1-10(7-25-8-13-6-14(13)9-25)22-16(26)12-4-2-11(3-5-12)15-23-17(27-24-15)18(19,20)21/h2-5,10,13-14H,6-9H2,1H3,(H,22,26)/t10-,13?,14?/m1/s1 FMWUWHDJMKBSPY-GWMXKSKGSA-N 243091 N-((2R)-1-(3-Azabicyclo[3.1.0]hexan-3- yl)propan-2-yl)-4-(5-(trifluoromethyl)- 1,2,4-oxadiazol-3-yl)benzamide::US10053434, 4 Histone deacetylase 4 [648-1032] 8.00 US Patent 10.7270/Q2MG7RJZ aid1795153 US10053434 Maillard, MC; Breccia, P; Dominguez, C; Haughan, AF; Van de Poel, A; Stott, AJ; Luckhurst, CA; Saville-Stones, EA; Wishart, G; Wall, M; Jarvis, RE CHDI Foundation Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=405&target=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243091&enzyme=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search 122669593 376221479 1 TKPRFTTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQETGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPLNRQKLDSKKLLGSLASVFVRLPCGGVGVDSDTIWNEVHSAGAARLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELDPLPEKVLQQRPNANAVRSMEKVMEIHSKYWRCLQ 2VQJ,2VQM,2VQQ,4CBT,6FYZ Histone deacetylase 4 HDAC4_HUMAN P56524 E9PGB9 F5GX36 Q86YH7 Q9UND6 489781 FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)N[C@H](CN1CCCC1)C1CC1 InChI=1S/C19H21F3N4O2/c20-19(21,22)18-24-16(25-28-18)13-5-7-14(8-6-13)17(27)23-15(12-3-4-12)11-26-9-1-2-10-26/h5-8,12,15H,1-4,9-11H2,(H,23,27)/t15-/m1/s1 UHNTVGGNBPFNBL-OAHLLOKOSA-N 243093 (S)-N-(1-Cyclopropyl-2-(pyrrolidin-1- yl)ethyl)-4-(5-(trifluoromethyl)-1,2,4- oxadiazol-3-yl)benzamide::US10053434, 5 Histone deacetylase 4 [648-1032] 48.0 US Patent 10.7270/Q2MG7RJZ aid1795153 US10053434 Maillard, MC; Breccia, P; Dominguez, C; Haughan, AF; Van de Poel, A; Stott, AJ; Luckhurst, CA; Saville-Stones, EA; Wishart, G; Wall, M; Jarvis, RE CHDI Foundation Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=405&target=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243093&enzyme=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search 122669588 376221481 1 TKPRFTTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQETGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPLNRQKLDSKKLLGSLASVFVRLPCGGVGVDSDTIWNEVHSAGAARLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELDPLPEKVLQQRPNANAVRSMEKVMEIHSKYWRCLQ 2VQJ,2VQM,2VQQ,4CBT,6FYZ Histone deacetylase 4 HDAC4_HUMAN P56524 E9PGB9 F5GX36 Q86YH7 Q9UND6 489782 FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)N[C@@H](CN1CCCC1)C1CC1 InChI=1S/C19H21F3N4O2/c20-19(21,22)18-24-16(25-28-18)13-5-7-14(8-6-13)17(27)23-15(12-3-4-12)11-26-9-1-2-10-26/h5-8,12,15H,1-4,9-11H2,(H,23,27)/t15-/m0/s1 UHNTVGGNBPFNBL-HNNXBMFYSA-N 243111 (R)-N-(1-Cyclopropyl-2-(pyrrolidin-1- yl)ethyl)-4-(5-(trifluoromethyl)-1,2,4- oxadiazol-3-yl)benzamide::US10053434, 6 Histone deacetylase 4 [648-1032] 77.0 US Patent 10.7270/Q2MG7RJZ aid1795153 US10053434 Maillard, MC; Breccia, P; Dominguez, C; Haughan, AF; Van de Poel, A; Stott, AJ; Luckhurst, CA; Saville-Stones, EA; Wishart, G; Wall, M; Jarvis, RE CHDI Foundation Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243111 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=405&target=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243111&enzyme=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search 122669617 376221499 1 TKPRFTTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQETGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPLNRQKLDSKKLLGSLASVFVRLPCGGVGVDSDTIWNEVHSAGAARLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELDPLPEKVLQQRPNANAVRSMEKVMEIHSKYWRCLQ 2VQJ,2VQM,2VQQ,4CBT,6FYZ Histone deacetylase 4 HDAC4_HUMAN P56524 E9PGB9 F5GX36 Q86YH7 Q9UND6 489783 C[C@H](CN1CCc2ccccc2C1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F InChI=1S/C22H21F3N4O2/c1-14(12-29-11-10-15-4-2-3-5-18(15)13-29)26-20(30)17-8-6-16(7-9-17)19-27-21(31-28-19)22(23,24)25/h2-9,14H,10-13H2,1H3,(H,26,30)/t14-/m1/s1 OYXHJSOZEXCCIB-CQSZACIVSA-N 243121 (R)-N-(1-(3,4-Dihydroisoquinolin- 2(1H)-yl)propan-2-yl)-4-(5- (trifluoromethyl)-1,2,4-oxadiazol-3- yl)benzamide::US10053434, 7 Histone deacetylase 4 [648-1032] 9.00 US Patent 10.7270/Q2MG7RJZ aid1795153 US10053434 Maillard, MC; Breccia, P; Dominguez, C; Haughan, AF; Van de Poel, A; Stott, AJ; Luckhurst, CA; Saville-Stones, EA; Wishart, G; Wall, M; Jarvis, RE CHDI Foundation Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243121 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=405&target=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243121&enzyme=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search 122669612 376221509 1 TKPRFTTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQETGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPLNRQKLDSKKLLGSLASVFVRLPCGGVGVDSDTIWNEVHSAGAARLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELDPLPEKVLQQRPNANAVRSMEKVMEIHSKYWRCLQ 2VQJ,2VQM,2VQQ,4CBT,6FYZ Histone deacetylase 4 HDAC4_HUMAN P56524 E9PGB9 F5GX36 Q86YH7 Q9UND6 489784 C[C@H](CN1CC(C1)c1ccccc1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F InChI=1S/C22H21F3N4O2/c1-14(11-29-12-18(13-29)15-5-3-2-4-6-15)26-20(30)17-9-7-16(8-10-17)19-27-21(31-28-19)22(23,24)25/h2-10,14,18H,11-13H2,1H3,(H,26,30)/t14-/m1/s1 MCEVDIJXQZWBLD-CQSZACIVSA-N 243123 (R)-N-(1-(3-Phenylazetidin-1-yl)propan- 2-yl)-4-(5-(trifluoromethyl)-1,2,4- oxadiazol-3-yl)benzamide::US10053434, 8 Histone deacetylase 4 [648-1032] 14.0 US Patent 10.7270/Q2MG7RJZ aid1795153 US10053434 Maillard, MC; Breccia, P; Dominguez, C; Haughan, AF; Van de Poel, A; Stott, AJ; Luckhurst, CA; Saville-Stones, EA; Wishart, G; Wall, M; Jarvis, RE CHDI Foundation Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243123 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=405&target=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243123&enzyme=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search 122669569 376221511 1 TKPRFTTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQETGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPLNRQKLDSKKLLGSLASVFVRLPCGGVGVDSDTIWNEVHSAGAARLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELDPLPEKVLQQRPNANAVRSMEKVMEIHSKYWRCLQ 2VQJ,2VQM,2VQQ,4CBT,6FYZ Histone deacetylase 4 HDAC4_HUMAN P56524 E9PGB9 F5GX36 Q86YH7 Q9UND6 489785 C[C@H](CN1CCCC(C1)OC(F)F)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F InChI=1S/C19H21F5N4O3/c1-11(9-28-8-2-3-14(10-28)30-18(20)21)25-16(29)13-6-4-12(5-7-13)15-26-17(31-27-15)19(22,23)24/h4-7,11,14,18H,2-3,8-10H2,1H3,(H,25,29)/t11-,14?/m1/s1 YOGWQNKZBZCDFV-YNODCEANSA-N 243152 D1: N-((R)-1-((abs)-3- (Difluoromethoxy)piperidin-1- yl)propan-2-yl)-4-(5-(trifluoromethyl)- 1,2,4-oxadiazol-3-yl)benzamide::US10053434, 10::US10053434, 9 Histone deacetylase 4 [648-1032] 21.0 US Patent 10.7270/Q2MG7RJZ aid1795153 US10053434 Maillard, MC; Breccia, P; Dominguez, C; Haughan, AF; Van de Poel, A; Stott, AJ; Luckhurst, CA; Saville-Stones, EA; Wishart, G; Wall, M; Jarvis, RE CHDI Foundation Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243152 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=405&target=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243152&enzyme=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search 122675724 376221540 1 TKPRFTTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQETGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPLNRQKLDSKKLLGSLASVFVRLPCGGVGVDSDTIWNEVHSAGAARLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELDPLPEKVLQQRPNANAVRSMEKVMEIHSKYWRCLQ 2VQJ,2VQM,2VQQ,4CBT,6FYZ Histone deacetylase 4 HDAC4_HUMAN P56524 E9PGB9 F5GX36 Q86YH7 Q9UND6 489786 C[C@H](CN1CCCC(C1)OC(F)F)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F InChI=1S/C19H21F5N4O3/c1-11(9-28-8-2-3-14(10-28)30-18(20)21)25-16(29)13-6-4-12(5-7-13)15-26-17(31-27-15)19(22,23)24/h4-7,11,14,18H,2-3,8-10H2,1H3,(H,25,29)/t11-,14?/m1/s1 YOGWQNKZBZCDFV-YNODCEANSA-N 243152 D1: N-((R)-1-((abs)-3- (Difluoromethoxy)piperidin-1- yl)propan-2-yl)-4-(5-(trifluoromethyl)- 1,2,4-oxadiazol-3-yl)benzamide::US10053434, 10::US10053434, 9 Histone deacetylase 4 [648-1032] 3.00 US Patent 10.7270/Q2MG7RJZ aid1795153 US10053434 Maillard, MC; Breccia, P; Dominguez, C; Haughan, AF; Van de Poel, A; Stott, AJ; Luckhurst, CA; Saville-Stones, EA; Wishart, G; Wall, M; Jarvis, RE CHDI Foundation Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243152 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=405&target=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243152&enzyme=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search 122675724 376221540 1 TKPRFTTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQETGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPLNRQKLDSKKLLGSLASVFVRLPCGGVGVDSDTIWNEVHSAGAARLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELDPLPEKVLQQRPNANAVRSMEKVMEIHSKYWRCLQ 2VQJ,2VQM,2VQQ,4CBT,6FYZ Histone deacetylase 4 HDAC4_HUMAN P56524 E9PGB9 F5GX36 Q86YH7 Q9UND6 489787 C[C@H](CN1CCCC2(CC2)C1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F InChI=1S/C20H23F3N4O2/c1-13(11-27-10-2-7-19(12-27)8-9-19)24-17(28)15-5-3-14(4-6-15)16-25-18(29-26-16)20(21,22)23/h3-6,13H,2,7-12H2,1H3,(H,24,28)/t13-/m1/s1 DPJWEPTZTQMWTC-CYBMUJFWSA-N 243173 (R)-N-(1-(5-Azaspiro[2.5]octan-5- yl)propan-2-yl)-4-(5-(trifluoromethyl)- 1,2,4-oxadiazol-3-yl)benzamide::US10053434, 11 Histone deacetylase 4 [648-1032] 3.00 US Patent 10.7270/Q2MG7RJZ aid1795153 US10053434 Maillard, MC; Breccia, P; Dominguez, C; Haughan, AF; Van de Poel, A; Stott, AJ; Luckhurst, CA; Saville-Stones, EA; Wishart, G; Wall, M; Jarvis, RE CHDI Foundation Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=405&target=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243173&enzyme=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search 122669618 376221559 1 TKPRFTTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQETGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPLNRQKLDSKKLLGSLASVFVRLPCGGVGVDSDTIWNEVHSAGAARLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELDPLPEKVLQQRPNANAVRSMEKVMEIHSKYWRCLQ 2VQJ,2VQM,2VQQ,4CBT,6FYZ Histone deacetylase 4 HDAC4_HUMAN P56524 E9PGB9 F5GX36 Q86YH7 Q9UND6 489788 C[C@H](CN1CCC2(CC2)CC1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F InChI=1S/C20H23F3N4O2/c1-13(12-27-10-8-19(6-7-19)9-11-27)24-17(28)15-4-2-14(3-5-15)16-25-18(29-26-16)20(21,22)23/h2-5,13H,6-12H2,1H3,(H,24,28)/t13-/m1/s1 GUSGHJPLLXGQHZ-CYBMUJFWSA-N 243176 (R)-N-(1-(6-Azaspiro[2.5]octan-6- yl)propan-2-yl)-4-(5-(trifluoromethyl)- 1,2,4-oxadiazol-3-yl)benzamide::US10053434, 12 Histone deacetylase 4 [648-1032] 30.0 US Patent 10.7270/Q2MG7RJZ aid1795153 US10053434 Maillard, MC; Breccia, P; Dominguez, C; Haughan, AF; Van de Poel, A; Stott, AJ; Luckhurst, CA; Saville-Stones, EA; Wishart, G; Wall, M; Jarvis, RE CHDI Foundation Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243176 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=405&target=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243176&enzyme=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search 122669572 376221560 1 TKPRFTTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQETGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPLNRQKLDSKKLLGSLASVFVRLPCGGVGVDSDTIWNEVHSAGAARLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELDPLPEKVLQQRPNANAVRSMEKVMEIHSKYWRCLQ 2VQJ,2VQM,2VQQ,4CBT,6FYZ Histone deacetylase 4 HDAC4_HUMAN P56524 E9PGB9 F5GX36 Q86YH7 Q9UND6 489789 C[C@H](CN1CCCCCC1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F InChI=1S/C19H23F3N4O2/c1-13(12-26-10-4-2-3-5-11-26)23-17(27)15-8-6-14(7-9-15)16-24-18(28-25-16)19(20,21)22/h6-9,13H,2-5,10-12H2,1H3,(H,23,27)/t13-/m1/s1 IZFWXPXCTQFPQU-CYBMUJFWSA-N 243178 (R)-N-(1-(Azepan-1-yl)propan-2-yl)-4- (5-(trifluoromethyl)-1,2,4-oxadiazol-3- yl)benzamide::US10053434, 13 Histone deacetylase 4 [648-1032] 11.0 US Patent 10.7270/Q2MG7RJZ aid1795153 US10053434 Maillard, MC; Breccia, P; Dominguez, C; Haughan, AF; Van de Poel, A; Stott, AJ; Luckhurst, CA; Saville-Stones, EA; Wishart, G; Wall, M; Jarvis, RE CHDI Foundation Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243178 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=405&target=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243178&enzyme=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search 122669605 376221562 1 TKPRFTTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQETGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPLNRQKLDSKKLLGSLASVFVRLPCGGVGVDSDTIWNEVHSAGAARLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELDPLPEKVLQQRPNANAVRSMEKVMEIHSKYWRCLQ 2VQJ,2VQM,2VQQ,4CBT,6FYZ Histone deacetylase 4 HDAC4_HUMAN P56524 E9PGB9 F5GX36 Q86YH7 Q9UND6 489790 C[C@H](CN1CCC11CCC1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F InChI=1S/C19H21F3N4O2/c1-12(11-26-10-9-18(26)7-2-8-18)23-16(27)14-5-3-13(4-6-14)15-24-17(28-25-15)19(20,21)22/h3-6,12H,2,7-11H2,1H3,(H,23,27)/t12-/m1/s1 UDXCFRSVPQOAAE-GFCCVEGCSA-N 243179 (R)-N-(1-(1-Azaspiro[3.3]heptan-1- yl)propan-2-yl)-4-(5-(trifluoromethyl)- 1,2,4-oxadiazol-3-yl)benzamide::US10053434, 14 Histone deacetylase 4 [648-1032] 16.0 US Patent 10.7270/Q2MG7RJZ aid1795153 US10053434 Maillard, MC; Breccia, P; Dominguez, C; Haughan, AF; Van de Poel, A; Stott, AJ; Luckhurst, CA; Saville-Stones, EA; Wishart, G; Wall, M; Jarvis, RE CHDI Foundation Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243179 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=405&target=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243179&enzyme=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search 122669551 376221563 1 TKPRFTTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQETGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPLNRQKLDSKKLLGSLASVFVRLPCGGVGVDSDTIWNEVHSAGAARLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELDPLPEKVLQQRPNANAVRSMEKVMEIHSKYWRCLQ 2VQJ,2VQM,2VQQ,4CBT,6FYZ Histone deacetylase 4 HDAC4_HUMAN P56524 E9PGB9 F5GX36 Q86YH7 Q9UND6 489791 C[C@H](CN1CCC2(CC2)C1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F InChI=1S/C19H21F3N4O2/c1-12(10-26-9-8-18(11-26)6-7-18)23-16(27)14-4-2-13(3-5-14)15-24-17(28-25-15)19(20,21)22/h2-5,12H,6-11H2,1H3,(H,23,27)/t12-/m1/s1 VGTHJSZAAWBZKN-GFCCVEGCSA-N 243180 (R)-N-(1-(5-Azaspiro[2.4]heptan-5- yl)propan-2-yl)-4-(5-(trifluoromethyl)- 1,2,4-oxadiazol-3-yl)benzamide::US10053434, 15 Histone deacetylase 4 [648-1032] 8.00 US Patent 10.7270/Q2MG7RJZ aid1795153 US10053434 Maillard, MC; Breccia, P; Dominguez, C; Haughan, AF; Van de Poel, A; Stott, AJ; Luckhurst, CA; Saville-Stones, EA; Wishart, G; Wall, M; Jarvis, RE CHDI Foundation Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243180 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=405&target=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243180&enzyme=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search 122669608 376221564 1 TKPRFTTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQETGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPLNRQKLDSKKLLGSLASVFVRLPCGGVGVDSDTIWNEVHSAGAARLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELDPLPEKVLQQRPNANAVRSMEKVMEIHSKYWRCLQ 2VQJ,2VQM,2VQQ,4CBT,6FYZ Histone deacetylase 4 HDAC4_HUMAN P56524 E9PGB9 F5GX36 Q86YH7 Q9UND6 489792 C[C@H](CN1CC2CCC(C2)C1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F InChI=1S/C20H23F3N4O2/c1-12(9-27-10-13-2-3-14(8-13)11-27)24-18(28)16-6-4-15(5-7-16)17-25-19(29-26-17)20(21,22)23/h4-7,12-14H,2-3,8-11H2,1H3,(H,24,28)/t12-,13?,14?/m1/s1 KLHHKVSPGWUPSV-IYXRBSQSSA-N 243183 N-((R)-1-(3-Azabicyclo[3.2.1]octan-3- yl)propan-2-yl)-4-(5-(trifluoromethyl)- 1,2,4-oxadiazol-3-yl)benzamide::US10053434, 16 Histone deacetylase 4 [648-1032] 7.00 US Patent 10.7270/Q2MG7RJZ aid1795153 US10053434 Maillard, MC; Breccia, P; Dominguez, C; Haughan, AF; Van de Poel, A; Stott, AJ; Luckhurst, CA; Saville-Stones, EA; Wishart, G; Wall, M; Jarvis, RE CHDI Foundation Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243183 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=405&target=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243183&enzyme=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search 122669518 376221567 1 TKPRFTTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQETGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPLNRQKLDSKKLLGSLASVFVRLPCGGVGVDSDTIWNEVHSAGAARLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELDPLPEKVLQQRPNANAVRSMEKVMEIHSKYWRCLQ 2VQJ,2VQM,2VQQ,4CBT,6FYZ Histone deacetylase 4 HDAC4_HUMAN P56524 E9PGB9 F5GX36 Q86YH7 Q9UND6 489793 C[C@H](C[NH+]1CC2CCCC2C1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F InChI=1S/C20H23F3N4O2/c1-12(9-27-10-15-3-2-4-16(15)11-27)24-18(28)14-7-5-13(6-8-14)17-25-19(29-26-17)20(21,22)23/h5-8,12,15-16H,2-4,9-11H2,1H3,(H,24,28)/p+1/t12-,15?,16?/m1/s1 FIIAYAAETHVBMK-UWTIGNOOSA-O 243187 2-((R)-2-(4-(5-(Trifluoromethyl)-1,2,4- oxadiazol-3- yl)benzamido)propyl)octahydrocyclopenta [c]pyrrol-2-ium formate::US10053434, 17 Histone deacetylase 4 [648-1032] 12.0 US Patent 10.7270/Q2MG7RJZ aid1795153 US10053434 Maillard, MC; Breccia, P; Dominguez, C; Haughan, AF; Van de Poel, A; Stott, AJ; Luckhurst, CA; Saville-Stones, EA; Wishart, G; Wall, M; Jarvis, RE CHDI Foundation Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243187 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=405&target=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243187&enzyme=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search 134823047 376221571 1 TKPRFTTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQETGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPLNRQKLDSKKLLGSLASVFVRLPCGGVGVDSDTIWNEVHSAGAARLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELDPLPEKVLQQRPNANAVRSMEKVMEIHSKYWRCLQ 2VQJ,2VQM,2VQQ,4CBT,6FYZ Histone deacetylase 4 HDAC4_HUMAN P56524 E9PGB9 F5GX36 Q86YH7 Q9UND6 489794 C[C@H](CN1CCc2ccncc2C1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F InChI=1S/C21H20F3N5O2/c1-13(11-29-9-7-14-6-8-25-10-17(14)12-29)26-19(30)16-4-2-15(3-5-16)18-27-20(31-28-18)21(22,23)24/h2-6,8,10,13H,7,9,11-12H2,1H3,(H,26,30)/t13-/m1/s1 ZHVSKKPOSCSUPK-CYBMUJFWSA-N 243189 (R)-N-(1-(3,4-dihydro-2,7-naphthyridin- 2(1H)-yl)propan-2-yl)-4-(5- (trifluoromethyl)-1,2,4-oxadiazol-3- yl)benzamide::US10053434, 18 Histone deacetylase 4 [648-1032] 6.00 US Patent 10.7270/Q2MG7RJZ aid1795153 US10053434 Maillard, MC; Breccia, P; Dominguez, C; Haughan, AF; Van de Poel, A; Stott, AJ; Luckhurst, CA; Saville-Stones, EA; Wishart, G; Wall, M; Jarvis, RE CHDI Foundation Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243189 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=405&target=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243189&enzyme=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search 122669487 376221573 1 TKPRFTTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQETGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPLNRQKLDSKKLLGSLASVFVRLPCGGVGVDSDTIWNEVHSAGAARLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELDPLPEKVLQQRPNANAVRSMEKVMEIHSKYWRCLQ 2VQJ,2VQM,2VQQ,4CBT,6FYZ Histone deacetylase 4 HDAC4_HUMAN P56524 E9PGB9 F5GX36 Q86YH7 Q9UND6 489795 C[C@H](CN1CC2CCC2C1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F InChI=1S/C19H21F3N4O2/c1-11(8-26-9-14-6-7-15(14)10-26)23-17(27)13-4-2-12(3-5-13)16-24-18(28-25-16)19(20,21)22/h2-5,11,14-15H,6-10H2,1H3,(H,23,27)/t11-,14?,15?/m1/s1 SGFQBIWAAKJIRR-VCANKDNSSA-N 243192 N-((2R)-1-(3-Azabicyclo[3.2.0]heptan- 3-yl)propan-2-yl)-4-(5- (trifluoromethyl)-1,2,4-oxadiazol-3- yl)benzamide::US10053434, 19 Histone deacetylase 4 [648-1032] 4.00 US Patent 10.7270/Q2MG7RJZ aid1795153 US10053434 Maillard, MC; Breccia, P; Dominguez, C; Haughan, AF; Van de Poel, A; Stott, AJ; Luckhurst, CA; Saville-Stones, EA; Wishart, G; Wall, M; Jarvis, RE CHDI Foundation Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243192 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=405&target=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243192&enzyme=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search 122669600 376221576 1 TKPRFTTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQETGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPLNRQKLDSKKLLGSLASVFVRLPCGGVGVDSDTIWNEVHSAGAARLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELDPLPEKVLQQRPNANAVRSMEKVMEIHSKYWRCLQ 2VQJ,2VQM,2VQQ,4CBT,6FYZ Histone deacetylase 4 HDAC4_HUMAN P56524 E9PGB9 F5GX36 Q86YH7 Q9UND6 489796 C[C@H](CN1CC2CCCC12)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F InChI=1S/C19H21F3N4O2/c1-11(9-26-10-14-3-2-4-15(14)26)23-17(27)13-7-5-12(6-8-13)16-24-18(28-25-16)19(20,21)22/h5-8,11,14-15H,2-4,9-10H2,1H3,(H,23,27)/t11-,14?,15?/m1/s1 OGIDUHARCQQJFV-VCANKDNSSA-N 243193 D1: N-((R)-1-((abs-1,5-cis)-6- Azabicyclo[3.2.0]heptan-6-yl)propan-2- yl)-4-(5-(trifluoromethyl)-1,2,4- oxadiazol-3-yl)benzamide::US10053434, 20::US10053434, 21 Histone deacetylase 4 [648-1032] 22.0 US Patent 10.7270/Q2MG7RJZ aid1795153 US10053434 Maillard, MC; Breccia, P; Dominguez, C; Haughan, AF; Van de Poel, A; Stott, AJ; Luckhurst, CA; Saville-Stones, EA; Wishart, G; Wall, M; Jarvis, RE CHDI Foundation Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243193 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=405&target=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243193&enzyme=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search 122675729 376221577 1 TKPRFTTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQETGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPLNRQKLDSKKLLGSLASVFVRLPCGGVGVDSDTIWNEVHSAGAARLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELDPLPEKVLQQRPNANAVRSMEKVMEIHSKYWRCLQ 2VQJ,2VQM,2VQQ,4CBT,6FYZ Histone deacetylase 4 HDAC4_HUMAN P56524 E9PGB9 F5GX36 Q86YH7 Q9UND6 489797 C[C@H](CN1CC2CCCC12)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F InChI=1S/C19H21F3N4O2/c1-11(9-26-10-14-3-2-4-15(14)26)23-17(27)13-7-5-12(6-8-13)16-24-18(28-25-16)19(20,21)22/h5-8,11,14-15H,2-4,9-10H2,1H3,(H,23,27)/t11-,14?,15?/m1/s1 OGIDUHARCQQJFV-VCANKDNSSA-N 243193 D1: N-((R)-1-((abs-1,5-cis)-6- Azabicyclo[3.2.0]heptan-6-yl)propan-2- yl)-4-(5-(trifluoromethyl)-1,2,4- oxadiazol-3-yl)benzamide::US10053434, 20::US10053434, 21 Histone deacetylase 4 [648-1032] 4.00 US Patent 10.7270/Q2MG7RJZ aid1795153 US10053434 Maillard, MC; Breccia, P; Dominguez, C; Haughan, AF; Van de Poel, A; Stott, AJ; Luckhurst, CA; Saville-Stones, EA; Wishart, G; Wall, M; Jarvis, RE CHDI Foundation Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243193 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=405&target=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243193&enzyme=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search 122675729 376221577 1 TKPRFTTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQETGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPLNRQKLDSKKLLGSLASVFVRLPCGGVGVDSDTIWNEVHSAGAARLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELDPLPEKVLQQRPNANAVRSMEKVMEIHSKYWRCLQ 2VQJ,2VQM,2VQQ,4CBT,6FYZ Histone deacetylase 4 HDAC4_HUMAN P56524 E9PGB9 F5GX36 Q86YH7 Q9UND6 489798 C[C@H](CN1CC2C(C1)C2(C)C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F InChI=1S/C20H23F3N4O2/c1-11(8-27-9-14-15(10-27)19(14,2)3)24-17(28)13-6-4-12(5-7-13)16-25-18(29-26-16)20(21,22)23/h4-7,11,14-15H,8-10H2,1-3H3,(H,24,28)/t11-,14?,15?/m1/s1 IPGUFGHVOXYGBE-VCANKDNSSA-N 243201 N-((2R)-1-(6,6-Dimethyl-3- azabicyclo[3.1.0]hexan-3-yl)propan-2- yl)-4-(5-(trifluoromethyl)-1,2,4- oxadiazol-3-yl)benzamide::US10053434, 22 Histone deacetylase 4 [648-1032] 20.0 US Patent 10.7270/Q2MG7RJZ aid1795153 US10053434 Maillard, MC; Breccia, P; Dominguez, C; Haughan, AF; Van de Poel, A; Stott, AJ; Luckhurst, CA; Saville-Stones, EA; Wishart, G; Wall, M; Jarvis, RE CHDI Foundation Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243201 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=405&target=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243201&enzyme=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search 122669578 376221584 1 TKPRFTTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQETGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPLNRQKLDSKKLLGSLASVFVRLPCGGVGVDSDTIWNEVHSAGAARLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELDPLPEKVLQQRPNANAVRSMEKVMEIHSKYWRCLQ 2VQJ,2VQM,2VQQ,4CBT,6FYZ Histone deacetylase 4 HDAC4_HUMAN P56524 E9PGB9 F5GX36 Q86YH7 Q9UND6 489799 C[C@H](C[NH+]1CCC[C@@H]1C)NC(=O)c1ccc(-c2noc(n2)C(F)(F)F)c(F)c1 InChI=1S/C18H20F4N4O2/c1-10(9-26-7-3-4-11(26)2)23-16(27)12-5-6-13(14(19)8-12)15-24-17(28-25-15)18(20,21)22/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,23,27)/p+1/t10-,11+/m1/s1 JXGNSCIUOHPCHU-MNOVXSKESA-O 243202 (2S)-1-((R)-2-(3-Fluoro-4-(5- (trifluoromethyl)-1,2,4-oxadiazol-3- yl)benzamido)propyl)-2- methylpyrrolidin-1-ium formate::US10053434, 23 Histone deacetylase 4 [648-1032] 9.00 US Patent 10.7270/Q2MG7RJZ aid1795153 US10053434 Maillard, MC; Breccia, P; Dominguez, C; Haughan, AF; Van de Poel, A; Stott, AJ; Luckhurst, CA; Saville-Stones, EA; Wishart, G; Wall, M; Jarvis, RE CHDI Foundation Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=405&target=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243202&enzyme=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search 134823048 376221585 1 TKPRFTTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQETGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPLNRQKLDSKKLLGSLASVFVRLPCGGVGVDSDTIWNEVHSAGAARLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELDPLPEKVLQQRPNANAVRSMEKVMEIHSKYWRCLQ 2VQJ,2VQM,2VQQ,4CBT,6FYZ Histone deacetylase 4 HDAC4_HUMAN P56524 E9PGB9 F5GX36 Q86YH7 Q9UND6 489800 C[C@H](CN1CCC[C@@H]1C)NC(=O)c1ccc(cn1)-c1noc(n1)C(F)(F)F InChI=1S/C17H20F3N5O2/c1-10(9-25-7-3-4-11(25)2)22-15(26)13-6-5-12(8-21-13)14-23-16(27-24-14)17(18,19)20/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,22,26)/t10-,11+/m1/s1 WWYALVYVEXRRKS-MNOVXSKESA-N 243203 N-((R)-1-((S)-2-Methylpyrrolidin-1- yl)propan-2-yl)-5-(5-(trifluoromethyl)- 1,2,4-oxadiazol-3-yl)picolinamide::US10053434, 24 Histone deacetylase 4 [648-1032] 134 US Patent 10.7270/Q2MG7RJZ aid1795153 US10053434 Maillard, MC; Breccia, P; Dominguez, C; Haughan, AF; Van de Poel, A; Stott, AJ; Luckhurst, CA; Saville-Stones, EA; Wishart, G; Wall, M; Jarvis, RE CHDI Foundation Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=405&target=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243203&enzyme=Histone+deacetylase+4+%5B648-1032%5D&column=ki&startPg=0&Increment=50&submit=Search 122669607 376221586 1 TKPRFTTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQETGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPLNRQKLDSKKLLGSLASVFVRLPCGGVGVDSDTIWNEVHSAGAARLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELDPLPEKVLQQRPNANAVRSMEKVMEIHSKYWRCLQ 2VQJ,2VQM,2VQQ,4CBT,6FYZ Histone deacetylase 4 HDAC4_HUMAN P56524 E9PGB9 F5GX36 Q86YH7 Q9UND6