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 423492 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O InChI=1S/C35H35BrN4O5/c1-20(37-4)33(42)38-32-21(2)40(34(43)24-15-13-23(14-16-24)22(3)41)30-12-7-6-11-29(30)39(35(32)44)19-27-25-9-8-10-28(36)26(25)17-18-31(27)45-5/h6-18,20-21,32,37H,19H2,1-5H3,(H,38,42)/t20-,21-,32-/m0/s1 PUOMKIKLDBHALP-XTTQDGHVSA-N 242783 US9422331, 1 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 3 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242783&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 73388485 341094922 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423493 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C35H35BrN4O5/c1-20(37-4)33(42)38-32-21(2)40(34(43)24-12-10-23(11-13-24)22(3)41)30-9-7-6-8-29(30)39(35(32)44)19-28-27-16-15-26(36)18-25(27)14-17-31(28)45-5/h6-18,20-21,32,37H,19H2,1-5H3,(H,38,42)/t20-,21-,32-/m0/s1 JYOVYYKXMHCZSC-XTTQDGHVSA-N 242784 US9422331, 2 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 6 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242784&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 90082374 341094923 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423494 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O InChI=1S/C38H35N7O4/c1-23(40-4)36(47)41-35-24(2)44(37(48)27-19-17-26(18-20-27)25(3)46)34-16-10-9-15-33(34)43(38(35)49)22-30-29-12-6-8-14-32(29)45(42-30)31-13-7-5-11-28(31)21-39/h5-20,23-24,35,40H,22H2,1-4H3,(H,41,47)/t23-,24-,35-/m0/s1 VYMJMIRROUFMMY-ZHCZTUKZSA-N 242785 US9422331, 3 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 12 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242785&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 90082539 341094924 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423495 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O InChI=1S/C36H37N5O4/c1-21(37-4)34(43)39-33-22(2)41(35(44)26-17-13-24(14-18-26)23(3)42)32-12-8-7-11-31(32)40(36(33)45)20-29-27-9-5-6-10-30(27)38-19-28(29)25-15-16-25/h5-14,17-19,21-22,25,33,37H,15-16,20H2,1-4H3,(H,39,43)/t21-,22-,33-/m0/s1 FSSFEVHWWBPTSY-RACYCIBVSA-N 242786 US9422331, 4 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 13 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242786&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 90082434 341094925 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423496 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)c2ccc(cc2)C#N)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C34H32BrN5O4/c1-20(37-3)32(41)38-31-21(2)40(33(42)23-11-9-22(18-36)10-12-23)29-8-6-5-7-28(29)39(34(31)43)19-27-26-15-14-25(35)17-24(26)13-16-30(27)44-4/h5-17,20-21,31,37H,19H2,1-4H3,(H,38,41)/t20-,21-,31-/m0/s1 IHQDYZPHPDSPOE-IHPVIADISA-N 242787 US9422331, 5 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 6 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242787&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 90082335 341094926 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423497 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)c2ccc(cc2)C#N)c2cc(ccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O)C#N InChI=1S/C38H31N9O3/c1-23(42-3)36(48)43-35-24(2)46(37(49)27-15-12-25(19-39)13-16-27)34-18-26(20-40)14-17-33(34)45(38(35)50)22-30-29-9-5-7-11-32(29)47(44-30)31-10-6-4-8-28(31)21-41/h4-18,23-24,35,42H,22H2,1-3H3,(H,43,48)/t23-,24-,35-/m0/s1 PWHIXNXPTSFUEC-ZHCZTUKZSA-N 242788 US9422331, 6 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 17 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242788&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 90082461 341094927 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423498 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)C2CCOCC2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C32H37BrN4O5/c1-19(34-3)30(38)35-29-20(2)37(31(39)21-13-15-42-16-14-21)27-8-6-5-7-26(27)36(32(29)40)18-25-24-11-10-23(33)17-22(24)9-12-28(25)41-4/h5-12,17,19-21,29,34H,13-16,18H2,1-4H3,(H,35,38)/t19-,20-,29-/m0/s1 PHYPBWWREZJXHY-SGHJWQDXSA-N 242789 US9422331, 7 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 5 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242789 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242789&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 90082484 341094928 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423499 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)C2CCOCC2)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O InChI=1S/C32H37BrN4O5/c1-19(34-3)30(38)35-29-20(2)37(31(39)21-14-16-42-17-15-21)27-11-6-5-10-26(27)36(32(29)40)18-24-22-8-7-9-25(33)23(22)12-13-28(24)41-4/h5-13,19-21,29,34H,14-18H2,1-4H3,(H,35,38)/t19-,20-,29-/m0/s1 SWKZBYGNIQQJGJ-SGHJWQDXSA-N 242790 US9422331, 8 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 5 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242790&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 90082520 341094929 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423500 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)C2CCOCC2)c2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O InChI=1S/C32H38N4O5/c1-20(33-3)30(37)34-29-21(2)36(31(38)23-15-17-41-18-16-23)27-12-8-7-11-26(27)35(32(29)39)19-25-24-10-6-5-9-22(24)13-14-28(25)40-4/h5-14,20-21,23,29,33H,15-19H2,1-4H3,(H,34,37)/t20-,21-,29-/m0/s1 HXWOVKOYSOTQHJ-WURXVLGASA-N 242791 US9422331, 9 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 9 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242791 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242791&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 90082402 341094930 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423501 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C29H33BrN4O6S/c1-17(31-3)28(36)32-27-18(2)34(26(35)16-41(5,38)39)24-9-7-6-8-23(24)33(29(27)37)15-22-21-12-11-20(30)14-19(21)10-13-25(22)40-4/h6-14,17-18,27,31H,15-16H2,1-5H3,(H,32,36)/t17-,18-,27-/m0/s1 QWYSUQIZLNHTSH-VFUKXHBFSA-N 50441826 CHEMBL2436216::US9422331, 10 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 10 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441826&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 72712127 175454143 CHEMBL2436216 ZINC96285533 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423502 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O InChI=1S/C29H33BrN4O6S/c1-17(31-3)28(36)32-27-18(2)34(26(35)16-41(5,38)39)24-12-7-6-11-23(24)33(29(27)37)15-21-19-9-8-10-22(30)20(19)13-14-25(21)40-4/h6-14,17-18,27,31H,15-16H2,1-5H3,(H,32,36)/t17-,18-,27-/m0/s1 PXWZNFSPEPDNTD-VFUKXHBFSA-N 50441827 CHEMBL2436217::US9422331, 11 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 9 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441827 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441827&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 72712129 175454144 CHEMBL2436217 ZINC96285534 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423503 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2cc(=O)oc3cc(OC)ccc23)C1=O InChI=1S/C28H32N4O8S/c1-16(29-3)27(35)30-26-17(2)32(24(33)15-41(5,37)38)22-9-7-6-8-21(22)31(28(26)36)14-18-12-25(34)40-23-13-19(39-4)10-11-20(18)23/h6-13,16-17,26,29H,14-15H2,1-5H3,(H,30,35)/t16-,17-,26-/m0/s1 TXWTZJBXCHLEIH-FXFTYNISSA-N 242792 US9422331, 12 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 406 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242792&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 73427177 341094931 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423504 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O InChI=1S/C29H34N4O6S/c1-18(30-3)28(35)31-27-19(2)33(26(34)17-40(5,37)38)24-13-9-8-12-23(24)32(29(27)36)16-22-21-11-7-6-10-20(21)14-15-25(22)39-4/h6-15,18-19,27,30H,16-17H2,1-5H3,(H,31,35)/t18-,19-,27-/m0/s1 BGYFKRZCGFJTOF-BATDWUPUSA-N 50441809 CHEMBL2436218::US9422331, 13 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 19 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441809&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 72712131 175454126 CHEMBL2436218 ZINC96285517 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423505 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(C)cnc3ccccc23)C1=O InChI=1S/C28H33N5O5S/c1-17-14-30-22-11-7-6-10-20(22)21(17)15-32-23-12-8-9-13-24(23)33(25(34)16-39(5,37)38)19(3)26(28(32)36)31-27(35)18(2)29-4/h6-14,18-19,26,29H,15-16H2,1-5H3,(H,31,35)/t18-,19-,26-/m0/s1 JKVAHJNLGRWRBH-DGUDUIIESA-N 242793 US9422331, 14 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 54 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242793&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 73427179 341094932 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423506 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(C)c(Cl)nc3ccccc23)C1=O InChI=1S/C28H32ClN5O5S/c1-16-20(19-10-6-7-11-21(19)31-26(16)29)14-33-22-12-8-9-13-23(22)34(24(35)15-40(5,38)39)18(3)25(28(33)37)32-27(36)17(2)30-4/h6-13,17-18,25,30H,14-15H2,1-5H3,(H,32,36)/t17-,18-,25-/m0/s1 MKRMRQANJYYBAU-RPPIVITFSA-N 242794 US9422331, 15 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 43 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242794&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 73427181 341094933 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423507 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2ccnc3ccccc23)C1=O InChI=1S/C27H31N5O5S/c1-17(28-3)26(34)30-25-18(2)32(24(33)16-38(4,36)37)23-12-8-7-11-22(23)31(27(25)35)15-19-13-14-29-21-10-6-5-9-20(19)21/h5-14,17-18,25,28H,15-16H2,1-4H3,(H,30,34)/t17-,18-,25-/m0/s1 NESPDUUAGUFDTI-RPPIVITFSA-N 242795 US9422331, 16 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 179 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242795 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242795&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 73427183 341094934 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423508 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)COC)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C29H33BrN4O5/c1-17(31-3)28(36)32-27-18(2)34(26(35)16-38-4)24-9-7-6-8-23(24)33(29(27)37)15-22-21-12-11-20(30)14-19(21)10-13-25(22)39-5/h6-14,17-18,27,31H,15-16H2,1-5H3,(H,32,36)/t17-,18-,27-/m0/s1 QLDBYDAHXTVYCQ-VFUKXHBFSA-N 242796 US9422331, 17 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 11 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242796&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 90089029 341094935 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423509 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2ccccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O InChI=1S/C29H33N5O3/c1-17(30-4)28(36)32-27-18(2)34(19(3)35)26-12-8-7-11-25(26)33(29(27)37)16-23-21-9-5-6-10-24(21)31-15-22(23)20-13-14-20/h5-12,15,17-18,20,27,30H,13-14,16H2,1-4H3,(H,32,36)/t17-,18-,27-/m0/s1 YNDJSCYVSRFGDS-VFUKXHBFSA-N 242797 US9422331, 18 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 30 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242797&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 73425655 341094936 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423510 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2ccccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O InChI=1S/C31H31N7O3/c1-19(33-4)30(40)34-29-20(2)37(21(3)39)28-16-10-9-15-27(28)36(31(29)41)18-24-23-12-6-8-14-26(23)38(35-24)25-13-7-5-11-22(25)17-32/h5-16,19-20,29,33H,18H2,1-4H3,(H,34,40)/t19-,20-,29-/m0/s1 QVBGRNVMTZSGGY-SGHJWQDXSA-N 242798 US9422331, 19 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 44 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242798&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 73425656 341094937 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423511 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2ccccc2N(Cc2c(C)cnc3ccccc23)C1=O InChI=1S/C27H31N5O3/c1-16-14-29-22-11-7-6-10-20(22)21(16)15-31-23-12-8-9-13-24(23)32(19(4)33)18(3)25(27(31)35)30-26(34)17(2)28-5/h6-14,17-18,25,28H,15H2,1-5H3,(H,30,34)/t17-,18-,25-/m0/s1 YYCXQMKDRLZUKM-RPPIVITFSA-N 242799 US9422331, 20 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 55 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242799&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 73427080 341094938 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423512 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O InChI=1S/C28H32N4O4/c1-17(29-4)27(34)30-26-18(2)32(19(3)33)24-13-9-8-12-23(24)31(28(26)35)16-22-21-11-7-6-10-20(21)14-15-25(22)36-5/h6-15,17-18,26,29H,16H2,1-5H3,(H,30,34)/t17-,18-,26-/m0/s1 PULKICJRVMLMFR-XWXLMPLOSA-N 242800 US9422331, 21 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 18 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242800&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 73427082 341094939 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423513 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C28H32N4O3/c1-17-14-15-21-10-6-7-11-22(21)23(17)16-31-24-12-8-9-13-25(24)32(20(4)33)19(3)26(28(31)35)30-27(34)18(2)29-5/h6-15,18-19,26,29H,16H2,1-5H3,(H,30,34)/t18-,19-,26-/m0/s1 RNDUYWSSTYCMKX-DGUDUIIESA-N 242801 US9422331, 22 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 56 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242801&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 73425660 341094940 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423514 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)C2CCOCC2)c2ccccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O InChI=1S/C33H39N5O4/c1-20(34-3)31(39)36-30-21(2)38(32(40)23-14-16-42-17-15-23)29-11-7-6-10-28(29)37(33(30)41)19-26-24-8-4-5-9-27(24)35-18-25(26)22-12-13-22/h4-11,18,20-23,30,34H,12-17,19H2,1-3H3,(H,36,39)/t20-,21-,30-/m0/s1 ZNDNWBUCIFOOFB-LPBFERMMSA-N 242802 US9422331, 23 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 16 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242802&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 90082671 341094941 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423515 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)C2CCOCC2)c2ccccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O InChI=1S/C35H37N7O4/c1-22(37-3)33(43)38-32-23(2)41(34(44)24-16-18-46-19-17-24)31-15-9-8-14-30(31)40(35(32)45)21-27-26-11-5-7-13-29(26)42(39-27)28-12-6-4-10-25(28)20-36/h4-15,22-24,32,37H,16-19,21H2,1-3H3,(H,38,43)/t22-,23-,32-/m0/s1 QDMCAKXVASMHHN-HYUGZUBYSA-N 242803 US9422331, 24 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 12 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242803&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 90082360 341094942 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423516 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccc(cc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O)C#N InChI=1S/C30H32BrN5O6S/c1-17(33-3)29(38)34-28-18(2)36(27(37)16-43(5,40)41)24-11-9-19(14-32)13-25(24)35(30(28)39)15-22-20-7-6-8-23(31)21(20)10-12-26(22)42-4/h6-13,17-18,28,33H,15-16H2,1-5H3,(H,34,38)/t17-,18-,28-/m0/s1 ITHWOTWNRXCJCM-RAALOAAWSA-N 242804 US9422331, 25 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 17 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242804&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 73425658 341094943 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423517 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O)C#N InChI=1S/C30H32BrN5O6S/c1-17(33-3)29(38)34-28-18(2)36(27(37)16-43(5,40)41)25-13-19(14-32)9-11-24(25)35(30(28)39)15-22-20-7-6-8-23(31)21(20)10-12-26(22)42-4/h6-13,17-18,28,33H,15-16H2,1-5H3,(H,34,38)/t17-,18-,28-/m0/s1 QZWAOOPKUULGAJ-RAALOAAWSA-N 242805 US9422331, 26 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 9 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242805&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 73425766 341094944 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423518 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2c(OC)ccc3ccccc23)C1=O)C#N InChI=1S/C30H33N5O6S/c1-18(32-3)29(37)33-28-19(2)35(27(36)17-42(5,39)40)25-14-20(15-31)10-12-24(25)34(30(28)38)16-23-22-9-7-6-8-21(22)11-13-26(23)41-4/h6-14,18-19,28,32H,16-17H2,1-5H3,(H,33,37)/t18-,19-,28-/m0/s1 KAOBYIPCGFGNBY-CLWPXKJUSA-N 50441821 CHEMBL2436223::US9422331, 27 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 10 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441821&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 72712570 175454138 CHEMBL2436223 ZINC96285529 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423519 CCN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2c(C)ccc3ccccc23)C1=O)C#N InChI=1S/C31H35N5O5S/c1-6-33-20(3)30(38)34-29-21(4)36(28(37)18-42(5,40)41)27-15-22(16-32)12-14-26(27)35(31(29)39)17-25-19(2)11-13-23-9-7-8-10-24(23)25/h7-15,20-21,29,33H,6,17-18H2,1-5H3,(H,34,38)/t20-,21-,29-/m0/s1 ZLLWXIZFAOBFHN-WURXVLGASA-N 242806 US9422331, 28 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 75 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242806&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 73425764 341094945 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423520 CC[C@H](NC)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2c(C)ccc3ccccc23)C1=O)C#N InChI=1S/C31H35N5O5S/c1-6-25(33-4)30(38)34-29-20(3)36(28(37)18-42(5,40)41)27-15-21(16-32)12-14-26(27)35(31(29)39)17-24-19(2)11-13-22-9-7-8-10-23(22)24/h7-15,20,25,29,33H,6,17-18H2,1-5H3,(H,34,38)/t20-,25-,29-/m0/s1 ZCNDJAKSDWSZNN-POWSXZFQSA-N 242807 US9422331, 29 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 23 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242807&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 73425762 341094946 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423521 CCN[C@@H](CC)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2c(C)ccc3ccccc23)C1=O)C#N InChI=1S/C32H37N5O5S/c1-6-26(34-7-2)31(39)35-30-21(4)37(29(38)19-43(5,41)42)28-16-22(17-33)13-15-27(28)36(32(30)40)18-25-20(3)12-14-23-10-8-9-11-24(23)25/h8-16,21,26,30,34H,6-7,18-19H2,1-5H3,(H,35,39)/t21-,26-,30-/m0/s1 COHOWWPPBPEALO-GLSOUHKVSA-N 242808 US9422331, 30 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 34 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242808&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 73425768 341094947 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423522 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2cc(ccc2N(Cc2c(OC)ccc3ccccc23)C1=O)C#N InChI=1S/C29H31N5O4/c1-17(31-4)28(36)32-27-18(2)34(19(3)35)25-14-20(15-30)10-12-24(25)33(29(27)37)16-23-22-9-7-6-8-21(22)11-13-26(23)38-5/h6-14,17-18,27,31H,16H2,1-5H3,(H,32,36)/t17-,18-,27-/m0/s1 HIFDPWOYCPYURM-VFUKXHBFSA-N 50441807 CHEMBL2436225::US9422331, 31 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 22 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441807&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 72714054 175454124 CHEMBL2436225 ZINC96285515 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423523 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2cc(ccc2N(Cc2c(C)ccc3ccccc23)C1=O)C#N InChI=1S/C29H31N5O3/c1-17-10-12-22-8-6-7-9-23(22)24(17)16-33-25-13-11-21(15-30)14-26(25)34(20(4)35)19(3)27(29(33)37)32-28(36)18(2)31-5/h6-14,18-19,27,31H,16H2,1-5H3,(H,32,36)/t18-,19-,27-/m0/s1 STBLNCCBQMHSRC-BATDWUPUSA-N 50441806 CHEMBL2436226::US9422331, 32 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 46 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441806&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 72714058 175454123 CHEMBL2436226 ZINC96285514 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423524 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2cc(ccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O)C#N InChI=1S/C30H32N6O3/c1-17(32-4)29(38)34-28-18(2)36(19(3)37)27-13-20(14-31)9-12-26(27)35(30(28)39)16-24-22-7-5-6-8-25(22)33-15-23(24)21-10-11-21/h5-9,12-13,15,17-18,21,28,32H,10-11,16H2,1-4H3,(H,34,38)/t17-,18-,28-/m0/s1 HCCKZIHUNIJRNQ-RAALOAAWSA-N 242809 US9422331, 33 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 28 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242809&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 73425873 341094948 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423525 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)C2CCOCC2)c2cc(ccc2N(Cc2c(OC)ccc3ccccc23)C1=O)C#N InChI=1S/C33H37N5O5/c1-20(35-3)31(39)36-30-21(2)38(32(40)24-13-15-43-16-14-24)28-17-22(18-34)9-11-27(28)37(33(30)41)19-26-25-8-6-5-7-23(25)10-12-29(26)42-4/h5-12,17,20-21,24,30,35H,13-16,19H2,1-4H3,(H,36,39)/t20-,21-,30-/m0/s1 SPDJONXXJSCWDU-LPBFERMMSA-N 242810 US9422331, 34 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 10 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242810&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 90082452 341094949 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423526 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)C2CCOCC2)c2cc(ccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O)C#N InChI=1S/C34H38N6O4/c1-20(36-3)32(41)38-31-21(2)40(33(42)24-12-14-44-15-13-24)30-16-22(17-35)8-11-29(30)39(34(31)43)19-27-25-6-4-5-7-28(25)37-18-26(27)23-9-10-23/h4-8,11,16,18,20-21,23-24,31,36H,9-10,12-15,19H2,1-3H3,(H,38,41)/t20-,21-,31-/m0/s1 AXLDLVGVTPTNKI-IHPVIADISA-N 242811 US9422331, 35 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 15 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242811&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 90082328 341094950 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423527 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2cc(ccc2N(Cc2cc(Br)ccc2OC)C1=O)C#N InChI=1S/C25H28BrN5O4/c1-14(28-4)24(33)29-23-15(2)31(16(3)32)21-10-17(12-27)6-8-20(21)30(25(23)34)13-18-11-19(26)7-9-22(18)35-5/h6-11,14-15,23,28H,13H2,1-5H3,(H,29,33)/t14-,15-,23-/m0/s1 KRFYDBXKYJZJDK-NPGVVQFXSA-N 242812 US9422331, 36 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 120 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242812&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 73425879 341094951 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423528 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2cc(ccc2N(Cc2cc(ccc2OC)-c2ccccc2)C1=O)C#N InChI=1S/C31H33N5O4/c1-19(33-4)30(38)34-29-20(2)36(21(3)37)27-15-22(17-32)11-13-26(27)35(31(29)39)18-25-16-24(12-14-28(25)40-5)23-9-7-6-8-10-23/h6-16,19-20,29,33H,18H2,1-5H3,(H,34,38)/t19-,20-,29-/m0/s1 CUHFFFYYNOXTOY-SGHJWQDXSA-N 242813 US9422331, 37 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 189 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242813&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 73425877 341094952 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423529 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2cc(ccc2N(Cc2cc(ccc2OC)-c2ccccc2F)C1=O)C#N InChI=1S/C31H32FN5O4/c1-18(34-4)30(39)35-29-19(2)37(20(3)38)27-14-21(16-33)10-12-26(27)36(31(29)40)17-23-15-22(11-13-28(23)41-5)24-8-6-7-9-25(24)32/h6-15,18-19,29,34H,17H2,1-5H3,(H,35,39)/t18-,19-,29-/m0/s1 LBFDNWJWBWGNLJ-GWZHAIQQSA-N 242814 US9422331, 38 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 234 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242814&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 73425875 341094953 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423530 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2noc3ccccc23)C1=O InChI=1S/C25H29N5O6S/c1-15(26-3)24(32)27-23-16(2)30(22(31)14-37(4,34)35)20-11-7-6-10-19(20)29(25(23)33)13-18-17-9-5-8-12-21(17)36-28-18/h5-12,15-16,23,26H,13-14H2,1-4H3,(H,27,32)/t15-,16-,23-/m0/s1 PKGJQJIJEUTAME-KXNSMUHISA-N 50441815 CHEMBL2436220::US9422331, 39 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 182 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441815&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 72712342 175454132 CHEMBL2436220 ZINC96285523 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423531 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2cc(=O)oc3cc(Cl)ccc23)C1=O InChI=1S/C27H29ClN4O7S/c1-15(29-3)26(35)30-25-16(2)32(23(33)14-40(4,37)38)21-8-6-5-7-20(21)31(27(25)36)13-17-11-24(34)39-22-12-18(28)9-10-19(17)22/h5-12,15-16,25,29H,13-14H2,1-4H3,(H,30,35)/t15-,16-,25-/m0/s1 VPUVARHCHWBJIY-NWLBTCKQSA-N 242815 US9422331, 40 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 354 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242815&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 73425989 341094954 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423532 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2noc3cc(Br)ccc23)C1=O InChI=1S/C25H28BrN5O6S/c1-14(27-3)24(33)28-23-15(2)31(22(32)13-38(4,35)36)20-8-6-5-7-19(20)30(25(23)34)12-18-17-10-9-16(26)11-21(17)37-29-18/h5-11,14-15,23,27H,12-13H2,1-4H3,(H,28,33)/t14-,15-,23-/m0/s1 CDMOQOOUDAINKO-NPGVVQFXSA-N 242816 US9422331, 41 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 416 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242816&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 73425991 341094955 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423533 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O InChI=1S/C30H35N5O5S/c1-18(31-3)29(37)33-28-19(2)35(27(36)17-41(4,39)40)26-12-8-7-11-25(26)34(30(28)38)16-23-21-9-5-6-10-24(21)32-15-22(23)20-13-14-20/h5-12,15,18-20,28,31H,13-14,16-17H2,1-4H3,(H,33,37)/t18-,19-,28-/m0/s1 QZLSQVDANDFUBV-CLWPXKJUSA-N 242817 US9422331, 42 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 29 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242817&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 73425993 341094956 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423534 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2cc(Cl)ccc2OC)C1=O InChI=1S/C25H31ClN4O6S/c1-15(27-3)24(32)28-23-16(2)30(22(31)14-37(5,34)35)20-9-7-6-8-19(20)29(25(23)33)13-17-12-18(26)10-11-21(17)36-4/h6-12,15-16,23,27H,13-14H2,1-5H3,(H,28,32)/t15-,16-,23-/m0/s1 PMTFHDHYPKXXAD-KXNSMUHISA-N 242818 US9422331, 43 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 125 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242818&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 73425995 341094957 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423535 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O InChI=1S/C32H33N7O5S/c1-20(34-3)31(41)35-30-21(2)38(29(40)19-45(4,43)44)28-16-10-9-15-27(28)37(32(30)42)18-24-23-12-6-8-14-26(23)39(36-24)25-13-7-5-11-22(25)17-33/h5-16,20-21,30,34H,18-19H2,1-4H3,(H,35,41)/t20-,21-,30-/m0/s1 UMTKRFKKIISTSA-LPBFERMMSA-N 50441813 CHEMBL2436222::US9422331, 44 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 32 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441813&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 72712346 175454130 CHEMBL2436222 ZINC96285521 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423536 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C29H34N4O5S/c1-18-14-15-21-10-6-7-11-22(21)23(18)16-32-24-12-8-9-13-25(24)33(26(34)17-39(5,37)38)20(3)27(29(32)36)31-28(35)19(2)30-4/h6-15,19-20,27,30H,16-17H2,1-5H3,(H,31,35)/t19-,20-,27-/m0/s1 PGECROXJANTNTJ-OSOCVKALSA-N 50441808 CHEMBL2436219::US9422331, 45 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 58 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441808&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 72712133 175454125 CHEMBL2436219 ZINC96285516 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423537 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2nn(C)c3ccccc23)C1=O InChI=1S/C26H32N6O5S/c1-16(27-3)25(34)28-24-17(2)32(23(33)15-38(5,36)37)22-13-9-8-12-21(22)31(26(24)35)14-19-18-10-6-7-11-20(18)30(4)29-19/h6-13,16-17,24,27H,14-15H2,1-5H3,(H,28,34)/t16-,17-,24-/m0/s1 NPXPHLKQAXBREH-UAVUOLJFSA-N 50441814 CHEMBL2436221::US9422331, 46 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 83 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441814&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 72712344 175454131 CHEMBL2436221 ZINC96285522 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423538 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(OC(F)F)ccc3ccccc23)C1=O InChI=1S/C29H32F2N4O6S/c1-17(32-3)27(37)33-26-18(2)35(25(36)16-42(4,39)40)23-12-8-7-11-22(23)34(28(26)38)15-21-20-10-6-5-9-19(20)13-14-24(21)41-29(30)31/h5-14,17-18,26,29,32H,15-16H2,1-4H3,(H,33,37)/t17-,18-,26-/m0/s1 MNIYOTLJSFJWFR-XWXLMPLOSA-N 242819 US9422331, 47 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 43 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242819&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 73426101 341094958 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423539 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(OC)cnc3ccccc23)C1=O InChI=1S/C28H33N5O6S/c1-17(29-3)27(35)31-26-18(2)33(25(34)16-40(5,37)38)23-13-9-8-12-22(23)32(28(26)36)15-20-19-10-6-7-11-21(19)30-14-24(20)39-4/h6-14,17-18,26,29H,15-16H2,1-5H3,(H,31,35)/t17-,18-,26-/m0/s1 QFSVMEQHAMMPOE-XWXLMPLOSA-N 242820 US9422331, 48 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 13 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242820&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 73426103 341094959 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423540 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CCOC)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O InChI=1S/C30H35BrN4O5/c1-18(32-3)29(37)33-28-19(2)35(27(36)15-16-39-4)25-12-7-6-11-24(25)34(30(28)38)17-22-20-9-8-10-23(31)21(20)13-14-26(22)40-5/h6-14,18-19,28,32H,15-17H2,1-5H3,(H,33,37)/t18-,19-,28-/m0/s1 QXTYBVHDSWREHO-CLWPXKJUSA-N 242821 US9422331, 49 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 10 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242821&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 73426105 341094960 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423541 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CCOC)c2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O InChI=1S/C30H36N4O5/c1-19(31-3)29(36)32-28-20(2)34(27(35)16-17-38-4)25-13-9-8-12-24(25)33(30(28)37)18-23-22-11-7-6-10-21(22)14-15-26(23)39-5/h6-15,19-20,28,31H,16-18H2,1-5H3,(H,32,36)/t19-,20-,28-/m0/s1 UFQKCWATIVDCEZ-JVAKCPTJSA-N 242822 US9422331, 50 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 12 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242822 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242822&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 73426107 341094961 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423542 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2c(C)ccc3ccccc23)C1=O)C#N InChI=1S/C30H33N5O5S/c1-18-10-12-22-8-6-7-9-23(22)24(18)16-34-25-13-11-21(15-31)14-26(25)35(27(36)17-41(5,39)40)20(3)28(30(34)38)33-29(37)19(2)32-4/h6-14,19-20,28,32H,16-17H2,1-5H3,(H,33,37)/t19-,20-,28-/m0/s1 JQUOOERRWMBNQL-JVAKCPTJSA-N 50441824 CHEMBL2436224::US9422331, 51 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 27 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441824 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441824&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 72712572 175454141 CHEMBL2436224 ZINC96285531 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423543 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O)C#N InChI=1S/C31H34N6O5S/c1-18(33-3)30(39)35-29-19(2)37(28(38)17-43(4,41)42)27-13-20(14-32)9-12-26(27)36(31(29)40)16-24-22-7-5-6-8-25(22)34-15-23(24)21-10-11-21/h5-9,12-13,15,18-19,21,29,33H,10-11,16-17H2,1-4H3,(H,35,39)/t18-,19-,29-/m0/s1 GIGNJHOYFVCDOD-GWZHAIQQSA-N 242823 US9422331, 52 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 23 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242823&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 73426203 341094962 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423544 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O)C#N InChI=1S/C33H32N8O5S/c1-20(36-3)32(43)37-31-21(2)40(30(42)19-47(4,45)46)29-15-22(16-34)13-14-28(29)39(33(31)44)18-25-24-10-6-8-12-27(24)41(38-25)26-11-7-5-9-23(26)17-35/h5-15,20-21,31,36H,18-19H2,1-4H3,(H,37,43)/t20-,21-,31-/m0/s1 VKAPUENCVUDUAS-IHPVIADISA-N 242824 US9422331, 53 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 33 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242824 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242824&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 73426205 341094963 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423545 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)C2CCOCC2)c2cc(ccc2N(Cc2c(C)ccc3ccccc23)C1=O)C#N InChI=1S/C33H37N5O4/c1-20-9-11-24-7-5-6-8-26(24)27(20)19-37-28-12-10-23(18-34)17-29(28)38(32(40)25-13-15-42-16-14-25)22(3)30(33(37)41)36-31(39)21(2)35-4/h5-12,17,21-22,25,30,35H,13-16,19H2,1-4H3,(H,36,39)/t21-,22-,30-/m0/s1 FDGGPFHMHMJCNR-PWWNZBMUSA-N 242825 US9422331, 54 E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] 23 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242825 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10644&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242825&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-214%2CC202A%2CC213G%5D&column=ki&startPg=0&Increment=50&submit=Search 90082528 341094964 1 MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDFPNCFFVLGRAWSEHRRHRNLNIRSE E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14