Compile Data Set for Download or QSAR

Found 1424 hits of ic50 for UniProtKB: P98170   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50239422 (CHEMBL234346) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(O)=O |r| Show InChI InChI=1S/C19H34N4O5/c1-6-11(4)15(19(27)28)22-17(25)13-8-7-9-23(13)18(26)14(10(2)3)21-16(24)12(5)20/h10-15H,6-9,20H2,1-5H3,(H,21,24)(H,22,25)(H,27,28)/t11-,12-,13-,14-,15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0170	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of SMAC-derived peptide abuRPFK (5 and 6FAM)-amide interaction with XIAP BIR3 domain (unknown origin) by fluorescence polarization assay				J Med Chem 60: 4611-4625 (2017) Article DOI: 10.1021/acs.jmedchem.6b01877 BindingDB Entry DOI: 10.7270/Q2KK9DX7
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50316637 ((2S)-2-(methylamino)-N-[(2S,5S,11S,20S,23S,29S)-29...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CCCN2C1=O)c1ccccc1)NC(=O)[C@H](C)NC)c1ccccc1 |r| Show InChI InChI=1S/C48H66N14O6/c1-31(49-3)43(63)51-35-21-11-13-25-59-29-37(55-57-59)42(34-19-9-6-10-20-34)54-46(66)40-24-16-28-62(40)48(68)36(52-44(64)32(2)50-4)22-12-14-26-60-30-38(56-58-60)41(33-17-7-5-8-18-33)53-45(65)39-23-15-27-61(39)47(35)67/h5-10,17-20,29-32,35-36,39-42,49-50H,11-16,21-28H2,1-4H3,(H,51,63)(H,52,64)(H,53,65)(H,54,66)/t31-,32-,35-,36-,39-,40-,41-,42-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to XIAP linker BIR2-BIR3 domain site 1 by fluorescence polarization assay				Bioorg Med Chem Lett 20: 3043-6 (2010) BindingDB Entry DOI: 10.7270/Q2DF6RC4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50450047 (CHEMBL4169478) Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3c2cc(Cc2ccc(F)cc2)c(=O)n3C)[C@@H](CN2[C@H](C)COC[C@H]2C)CN1 |r| Show InChI InChI=1S/C31H44FN5O3/c1-20-14-35(26(13-33-20)15-36-21(2)17-40-18-22(36)3)16-28(38)37-19-31(4,5)29-27(37)12-24(30(39)34(29)6)11-23-7-9-25(32)10-8-23/h7-10,12,20-22,26,33H,11,13-19H2,1-6H3/t20-,21-,22-,26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of full length FLAG-tagged XIAP (unknown origin) interaction with full length untagged caspase-9 expressed in HEK293 cells after 2 hrs by ...				J Med Chem 61: 7314-7329 (2018) Article DOI: 10.1021/acs.jmedchem.8b00900 BindingDB Entry DOI: 10.7270/Q2TT4THH
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50316636 ((2S,2'S)-N,N'-((6S,12S,14aS,20S,26S,28aS)-12,26-di...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C46H66N10O8/c1-29(47-3)39(57)51-33-19-11-23-49-41(59)35(27-31-15-7-5-8-16-31)54-44(62)38-22-14-26-56(38)46(64)34(52-40(58)30(2)48-4)20-12-24-50-42(60)36(28-32-17-9-6-10-18-32)53-43(61)37-21-13-25-55(37)45(33)63/h5-10,15-18,29-30,33-38,47-48H,11-14,19-28H2,1-4H3,(H,49,59)(H,50,60)(H,51,57)(H,52,58)(H,53,61)(H,54,62)/t29-,30-,33-,34-,35-,36-,37-,38-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to XIAP linker BIR2-BIR3 domain site 1 by fluorescence polarization assay				Bioorg Med Chem Lett 20: 3043-6 (2010) BindingDB Entry DOI: 10.7270/Q2DF6RC4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50233420 (CHEMBL4092271) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)NC(Cc1ccc(cc1)[C@H]1C[C@H](N(C1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C54H76N8O6/c1-32(55-9)47(63)60-45(53(3,4)5)51(67)59-43(49(65)57-41-23-15-19-36-17-11-13-21-39(36)41)29-34-25-27-35(28-26-34)38-30-44(50(66)58-42-24-16-20-37-18-12-14-22-40(37)42)62(31-38)52(68)46(54(6,7)8)61-48(64)33(2)56-10/h11-14,17-18,21-22,25-28,32-33,38,41-46,55-56H,15-16,19-20,23-24,29-31H2,1-10H3,(H,57,65)(H,58,66)(H,59,67)(H,60,63)(H,61,64)/t32-,33-,38-,41+,42+,43?,44-,45+,46+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of His-tagged XIAP BIR3 (241 to 356 residues) (unknown origin) using fluorescein labeled SMAC peptide as substrate after 60 mins by HTRF a...				ACS Med Chem Lett 8: 471-473 (2017) Article DOI: 10.1021/acsmedchemlett.7b00148 BindingDB Entry DOI: 10.7270/Q2M047PK
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50432759 (CHEMBL2348619) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Oc2ccc(NC(=O)N3CC[C@H]4CC[C@H](N4C(=O)[C@H](C3)NC(=O)[C@H](C)NC)C(=O)NC(c3ccccc3)c3ccccc3)cc2)cc1 |r| Show InChI InChI=1S/C68H78N12O9/c1-43(69-3)61(81)73-55-41-77(39-37-51-29-35-57(79(51)65(55)85)63(83)75-59(45-17-9-5-10-18-45)46-19-11-6-12-20-46)67(87)71-49-25-31-53(32-26-49)89-54-33-27-50(28-34-54)72-68(88)78-40-38-52-30-36-58(80(52)66(86)56(42-78)74-62(82)44(2)70-4)64(84)76-60(47-21-13-7-14-22-47)48-23-15-8-16-24-48/h5-28,31-34,43-44,51-52,55-60,69-70H,29-30,35-42H2,1-4H3,(H,71,87)(H,72,88)(H,73,81)(H,74,82)(H,75,83)(H,76,84)/t43-,44-,51+,52+,55-,56-,57-,58-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to XIAP linker BIR2-BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-1F				J Med Chem 56: 3969-79 (2013) Article DOI: 10.1021/jm400216d BindingDB Entry DOI: 10.7270/Q2M61MNM
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50316635 ((2S)-N-[(2S,5S,11S,20S,23S,29S)-2,20-dibenzyl-29-[...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCCn2cc(nn2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCn2cc(nn2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C50H70N14O6/c1-33(51-3)45(65)53-37-21-11-13-25-61-31-41(57-59-61)40(30-36-19-9-6-10-20-36)56-48(68)44-24-16-28-64(44)50(70)38(54-46(66)34(2)52-4)22-12-14-26-62-32-42(58-60-62)39(29-35-17-7-5-8-18-35)55-47(67)43-23-15-27-63(43)49(37)69/h5-10,17-20,31-34,37-40,43-44,51-52H,11-16,21-30H2,1-4H3,(H,53,65)(H,54,66)(H,55,67)(H,56,68)/t33-,34-,37-,38-,39-,40-,43-,44-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to XIAP linker BIR2-BIR3 domain site 1 by fluorescence polarization assay				Bioorg Med Chem Lett 20: 3043-6 (2010) BindingDB Entry DOI: 10.7270/Q2DF6RC4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50233421 (CHEMBL4075941) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)NC(Cc1ccc(cc1)[C@H]1C[C@H](N(C1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)SCC(=O)NC(CO)CO |r| Show InChI InChI=1S/C58H83N9O9S/c1-34(59-8)51(71)65-49(58(6,7)77-33-48(70)61-41(31-68)32-69)55(75)64-46(53(73)62-44-22-14-18-38-16-10-12-20-42(38)44)28-36-24-26-37(27-25-36)40-29-47(54(74)63-45-23-15-19-39-17-11-13-21-43(39)45)67(30-40)56(76)50(57(3,4)5)66-52(72)35(2)60-9/h10-13,16-17,20-21,24-27,34-35,40-41,44-47,49-50,59-60,68-69H,14-15,18-19,22-23,28-33H2,1-9H3,(H,61,70)(H,62,73)(H,63,74)(H,64,75)(H,65,71)(H,66,72)/t34-,35-,40-,44+,45+,46?,47-,49+,50+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of His-tagged XIAP BIR3 (241 to 356 residues) (unknown origin) using fluorescein labeled SMAC peptide as substrate after 60 mins by HTRF a...				ACS Med Chem Lett 8: 471-473 (2017) Article DOI: 10.1021/acsmedchemlett.7b00148 BindingDB Entry DOI: 10.7270/Q2M047PK
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50512890 (CHEMBL4575701) Show SMILES [H][C@]12CC[C@H](N1C(=O)C(CCCC2)NC(=O)[C@H](C)NC)C(=O)N[C@H](c1cn(CCCCc2ccc(CCCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@]4([H])CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C62H84N14O6/c1-41(63-3)57(77)65-49-27-13-11-25-47-33-35-53(75(47)61(49)81)59(79)67-55(45-21-7-5-8-22-45)51-39-73(71-69-51)37-17-15-19-43-29-31-44(32-30-43)20-16-18-38-74-40-52(70-72-74)56(46-23-9-6-10-24-46)68-60(80)54-36-34-48-26-12-14-28-50(62(82)76(48)54)66-58(78)42(2)64-4/h5-10,21-24,29-32,39-42,47-50,53-56,63-64H,11-20,25-28,33-38H2,1-4H3,(H,65,77)(H,66,78)(H,67,79)(H,68,80)/t41-,42-,47-,48-,49-,50?,53-,54-,55-,56-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Ningxia Medical University Curated by ChEMBL					Assay Description Inhibition of of XIAP-BIR2/BIR3 domain (unknown origin)				J Med Chem 62: 5750-5772 (2019) Article DOI: 10.1021/acs.jmedchem.8b01668 BindingDB Entry DOI: 10.7270/Q21R6TVX
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50512890 (CHEMBL4575701) Show SMILES [H][C@]12CC[C@H](N1C(=O)C(CCCC2)NC(=O)[C@H](C)NC)C(=O)N[C@H](c1cn(CCCCc2ccc(CCCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@]4([H])CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C62H84N14O6/c1-41(63-3)57(77)65-49-27-13-11-25-47-33-35-53(75(47)61(49)81)59(79)67-55(45-21-7-5-8-22-45)51-39-73(71-69-51)37-17-15-19-43-29-31-44(32-30-43)20-16-18-38-74-40-52(70-72-74)56(46-23-9-6-10-24-46)68-60(80)54-36-34-48-26-12-14-28-50(62(82)76(48)54)66-58(78)42(2)64-4/h5-10,21-24,29-32,39-42,47-50,53-56,63-64H,11-20,25-28,33-38H2,1-4H3,(H,65,77)(H,66,78)(H,67,79)(H,68,80)/t41-,42-,47-,48-,49-,50?,53-,54-,55-,56-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Ningxia Medical University Curated by ChEMBL					Assay Description Binding affinity to XIAP-BIR2/BIR3 domain (unknown origin)				J Med Chem 62: 5750-5772 (2019) Article DOI: 10.1021/acs.jmedchem.8b01668 BindingDB Entry DOI: 10.7270/Q21R6TVX
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50401489 (CHEMBL2204580) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)CCNc2c(NCCC(=O)NC[C@H]3CC[C@H]4CC[C@H](N4C(=O)[C@H]3NC(=O)[C@H](CC)NC)C(=O)NC(c3ccccc3)c3ccccc3)c(=O)c2=O)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C68H86N12O10/c1-5-49(69-3)63(85)77-57-45(27-29-47-31-33-51(79(47)67(57)89)65(87)75-55(41-19-11-7-12-20-41)42-21-13-8-14-22-42)39-73-53(81)35-37-71-59-60(62(84)61(59)83)72-38-36-54(82)74-40-46-28-30-48-32-34-52(80(48)68(90)58(46)78-64(86)50(6-2)70-4)66(88)76-56(43-23-15-9-16-24-43)44-25-17-10-18-26-44/h7-26,45-52,55-58,69-72H,5-6,27-40H2,1-4H3,(H,73,81)(H,74,82)(H,75,87)(H,76,88)(H,77,85)(H,78,86)/t45-,46-,47+,48+,49+,50+,51+,52+,57+,58+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of Smac-1F from human His-tagged XIAP linker BIR2-BIR3 linker (124 to 356 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50450049 (CHEMBL4166057) Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nc(CO)c(Cc4ccc(F)cc4)cc23)[C@@H](CN2[C@H](C)COC[C@H]2C)CN1 |r| Show InChI InChI=1S/C31H44FN5O3/c1-20-13-35(26(12-33-20)14-36-21(2)17-40-18-22(36)3)15-29(39)37-19-31(4,5)30-28(37)11-24(27(16-38)34-30)10-23-6-8-25(32)9-7-23/h6-9,11,20-22,26,33,38H,10,12-19H2,1-5H3/t20-,21-,22-,26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of full length FLAG-tagged XIAP (unknown origin) interaction with full length untagged caspase-9 expressed in HEK293 cells after 2 hrs by ...				J Med Chem 61: 7314-7329 (2018) Article DOI: 10.1021/acs.jmedchem.8b00900 BindingDB Entry DOI: 10.7270/Q2TT4THH
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50233423 (CHEMBL4091364) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)NC(Cc1ccc(cc1)[C@H]1C[C@H](N(C1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)SCC(=O)N(C)C[C@@H](O)CO |r| Show InChI InChI=1S/C59H85N9O9S/c1-35(60-8)52(72)65-50(59(6,7)78-34-49(71)67(10)32-42(70)33-69)56(76)64-47(54(74)62-45-23-15-19-39-17-11-13-21-43(39)45)29-37-25-27-38(28-26-37)41-30-48(55(75)63-46-24-16-20-40-18-12-14-22-44(40)46)68(31-41)57(77)51(58(3,4)5)66-53(73)36(2)61-9/h11-14,17-18,21-22,25-28,35-36,41-42,45-48,50-51,60-61,69-70H,15-16,19-20,23-24,29-34H2,1-10H3,(H,62,74)(H,63,75)(H,64,76)(H,65,72)(H,66,73)/t35-,36-,41-,42+,45+,46+,47?,48-,50+,51+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of His-tagged XIAP BIR3 (241 to 356 residues) (unknown origin) using fluorescein labeled SMAC peptide as substrate after 60 mins by HTRF a...				ACS Med Chem Lett 8: 471-473 (2017) Article DOI: 10.1021/acsmedchemlett.7b00148 BindingDB Entry DOI: 10.7270/Q2M047PK
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50401488 (CHEMBL2204579) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)CCCCc2cn(CCCCc3ccc(CCCCn4cc(CCCCC(=O)NC[C@H]5CC[C@H]6CC[C@H](N6C(=O)[C@H]5NC(=O)[C@H](CC)NC)C(=O)NC(c5ccccc5)c5ccccc5)nn4)cc3)nn2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C86H114N16O8/c1-5-71(87-3)81(105)93-79-65(45-47-69-49-51-73(101(69)85(79)109)83(107)91-77(61-29-11-7-12-30-61)62-31-13-8-14-32-62)55-89-75(103)39-21-19-37-67-57-99(97-95-67)53-25-23-27-59-41-43-60(44-42-59)28-24-26-54-100-58-68(96-98-100)38-20-22-40-76(104)90-56-66-46-48-70-50-52-74(102(70)86(110)80(66)94-82(106)72(6-2)88-4)84(108)92-78(63-33-15-9-16-34-63)64-35-17-10-18-36-64/h7-18,29-36,41-44,57-58,65-66,69-74,77-80,87-88H,5-6,19-28,37-40,45-56H2,1-4H3,(H,89,103)(H,90,104)(H,91,107)(H,92,108)(H,93,105)(H,94,106)/t65-,66-,69+,70+,71+,72+,73+,74+,79+,80+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of Smac-1F from human His-tagged XIAP linker BIR2-BIR3 linker (124 to 356 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50450046 (CHEMBL4173974) Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nc(CO)c(Cc4ccc(F)cc4)cc23)[C@@H](CN2CCOC[C@H]2C)CN1 |r| Show InChI InChI=1S/C30H42FN5O3/c1-20-14-35(25(13-32-20)15-34-9-10-39-18-21(34)2)16-28(38)36-19-30(3,4)29-27(36)12-23(26(17-37)33-29)11-22-5-7-24(31)8-6-22/h5-8,12,20-21,25,32,37H,9-11,13-19H2,1-4H3/t20-,21-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of full length FLAG-tagged XIAP (unknown origin) interaction with full length untagged caspase-9 expressed in HEK293 cells after 2 hrs by ...				J Med Chem 61: 7314-7329 (2018) Article DOI: 10.1021/acs.jmedchem.8b00900 BindingDB Entry DOI: 10.7270/Q2TT4THH
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50450043 (CHEMBL4166607) Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc23)[C@@H](CN2[C@H](C)COC[C@H]2C)CN1 |r| Show InChI InChI=1S/C30H42FN5O2/c1-20-14-34(26(13-32-20)15-35-21(2)17-38-18-22(35)3)16-28(37)36-19-30(4,5)29-27(36)11-24(12-33-29)10-23-6-8-25(31)9-7-23/h6-9,11-12,20-22,26,32H,10,13-19H2,1-5H3/t20-,21-,22-,26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of full length FLAG-tagged XIAP (unknown origin) interaction with full length untagged caspase-9 expressed in HEK293 cells after 2 hrs by ...				J Med Chem 61: 7314-7329 (2018) Article DOI: 10.1021/acs.jmedchem.8b00900 BindingDB Entry DOI: 10.7270/Q2TT4THH
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50462129 (CHEMBL4244166) Show SMILES [#6]-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(cc1)C#C[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6@H](-[#7](-[#6]-1)-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6])C([#6])([#6])[#6])-[#6](=O)-[#7]-[#6@@H]-1-[#6]-[#6]-[#6]-c2ccccc-12)-[#6](=O)-[#7]-1-[#6][Si;v4]([#6])([#6])[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H]-1-[#6]-[#6]-[#6]-c2ccccc-12 |r| Show InChI InChI=1S/C57H77N9O7Si/c1-35(58-6)51(68)63-46(55(72)66-34-74(8,9)33-48(66)54(71)62-45-23-15-19-40-17-11-13-21-43(40)45)30-38-26-24-37(25-27-38)28-29-49(67)60-41-31-47(53(70)61-44-22-14-18-39-16-10-12-20-42(39)44)65(32-41)56(73)50(57(3,4)5)64-52(69)36(2)59-7/h10-13,16-17,20-21,24-27,35-36,41,44-48,50,58-59H,14-15,18-19,22-23,30-34H2,1-9H3,(H,60,67)(H,61,70)(H,62,71)(H,63,68)(H,64,69)/t35-,36-,41-,44+,45+,46-,47-,48-,50+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-National Chemical Laboratory Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged XIAP BIR3 domain (241 to 356 residues) (unknown origin) using fluorescein labeled SMAC peptide as substrate after...				J Med Chem 61: 3779-3798 (2018) Article DOI: 10.1021/acs.jmedchem.7b00718 BindingDB Entry DOI: 10.7270/Q2GT5QTK
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50401487 (CHEMBL2204578) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)CCCCCC#CC#CCCCCC(=O)NC[C@H]2CC[C@H]3CC[C@H](N3C(=O)[C@H]2NC(=O)[C@H](CC)NC)C(=O)NC(c2ccccc2)c2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C73H94N10O8/c1-5-58(74-3)68(86)80-66-54(40-42-56-44-46-60(82(56)72(66)90)70(88)78-64(50-30-20-16-21-31-50)51-32-22-17-23-33-51)48-76-62(84)38-28-14-12-10-8-7-9-11-13-15-29-39-63(85)77-49-55-41-43-57-45-47-61(83(57)73(91)67(55)81-69(87)59(6-2)75-4)71(89)79-65(52-34-24-18-25-35-52)53-36-26-19-27-37-53/h16-27,30-37,54-61,64-67,74-75H,5-6,10,12-15,28-29,38-49H2,1-4H3,(H,76,84)(H,77,85)(H,78,88)(H,79,89)(H,80,86)(H,81,87)/t54-,55-,56+,57+,58+,59+,60+,61+,66+,67+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of Smac-1F from human His-tagged XIAP linker BIR2-BIR3 linker (124 to 356 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50401480 (CHEMBL2204571) Show SMILES CN[C@@H](C)C(=O)N[C@@H]([C@H](C)OCC#CC#CCO[C@@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1Cn1nnnc1Sc1ccccc1)C(=O)N1CCC[C@H]1Cn1nnnc1Sc1ccccc1 |r| Show InChI InChI=1S/C46H60N14O6S2/c1-31(47-5)41(61)49-39(43(63)57-25-17-19-35(57)29-59-45(51-53-55-59)67-37-21-11-9-12-22-37)33(3)65-27-15-7-8-16-28-66-34(4)40(50-42(62)32(2)48-6)44(64)58-26-18-20-36(58)30-60-46(52-54-56-60)68-38-23-13-10-14-24-38/h9-14,21-24,31-36,39-40,47-48H,17-20,25-30H2,1-6H3,(H,49,61)(H,50,62)/t31-,32-,33-,34-,35-,36-,39-,40-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of Smac-1F from human His-tagged XIAP linker BIR2-BIR3 linker (124 to 356 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50501947 (CHEMBL4443905) Show SMILES CN[C@@H](C)C(=O)N[C@@H](CNCc1ccc(cc1)S(F)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2F |r| Show InChI InChI=1S/C28H35F2N5O5S/c1-17(31-2)26(36)34-24(16-32-15-18-8-10-19(11-9-18)41(30,39)40)28(38)35-14-4-7-25(35)27(37)33-23-13-12-20-21(23)5-3-6-22(20)29/h3,5-6,8-11,17,23-25,31-32H,4,7,12-16H2,1-2H3,(H,33,37)(H,34,36)/t17-,23+,24-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of biotinylated AVPF from N-terminal His tagged recombinant human XIAP-BIR3 domain (253 to 347 residues) expressed in Escherichia coli B...				J Med Chem 62: 5616-5627 (2019) Article DOI: 10.1021/acs.jmedchem.9b00561 BindingDB Entry DOI: 10.7270/Q21J9F1P
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50501941 (CHEMBL4475136) Show SMILES CN[C@@H](C)C(=O)N[C@@H](CNCc1ccc(cc1)S(F)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C28H37FN6O6S/c1-18(31-2)26(37)34-23(17-32-16-20-10-12-21(13-11-20)42(29,40)41)28(39)35-14-6-9-24(35)27(38)33-22(25(30)36)15-19-7-4-3-5-8-19/h3-5,7-8,10-13,18,22-24,31-32H,6,9,14-17H2,1-2H3,(H2,30,36)(H,33,38)(H,34,37)/t18-,22-,23-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of biotinylated AVPF from N-terminal His tagged recombinant human XIAP-BIR3 Lys311Tyr mutant expressed in Escherichia coli BL21(DE3) cel...				J Med Chem 62: 5616-5627 (2019) Article DOI: 10.1021/acs.jmedchem.9b00561 BindingDB Entry DOI: 10.7270/Q21J9F1P
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50450037 (CHEMBL4164271) Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nnc(Cc4ccc(F)cc4F)cc23)[C@@H](CN2Cc3cc(F)ccc3C2=O)CN1 |r| Show InChI InChI=1S/C31H33F3N6O2/c1-18-13-38(24(12-35-18)15-39-14-20-8-21(32)6-7-25(20)30(39)42)16-28(41)40-17-31(2,3)29-27(40)11-23(36-37-29)9-19-4-5-22(33)10-26(19)34/h4-8,10-11,18,24,35H,9,12-17H2,1-3H3/t18-,24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of full length FLAG-tagged XIAP (unknown origin) interaction with full length untagged caspase-9 expressed in HEK293 cells after 2 hrs by ...				J Med Chem 61: 7314-7329 (2018) Article DOI: 10.1021/acs.jmedchem.8b00900 BindingDB Entry DOI: 10.7270/Q2TT4THH
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50112346 (CHEMBL3609325) Show SMILES [H][C@@]12CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@]([H])(C1)C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@]3([H])CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@]([H])(C3)C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCCCC2)cc3)C(O)=O)cc1)NS(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C83H106N14O14S/c1-49(84-9)73(98)90-71(82(3,4)5)79(104)95-45-55-17-15-16-36-110-62-30-24-51(25-31-62)39-67(81(106)107)88-75(100)65(40-53-22-28-56-18-11-13-20-58(56)37-53)86-78(103)69-44-61(47-96(69)80(105)72(83(6,7)8)91-74(99)50(2)85-10)97-46-60(92-94-97)48-111-63-32-26-52(27-33-63)43-70(93-112(108,109)64-34-35-64)89-76(101)66(87-77(102)68(95)42-55)41-54-23-29-57-19-12-14-21-59(57)38-54/h11-14,18-33,37-38,46,49-50,55,61,64-72,84-85,93H,15-17,34-36,39-45,47-48H2,1-10H3,(H,86,103)(H,87,102)(H,88,100)(H,89,101)(H,90,98)(H,91,99)(H,106,107)/t49-,50-,55-,61-,65-,66-,67-,68-,69-,70+,71+,72+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research Curated by ChEMBL					Assay Description Inhibition of XIAP BIR3 domain (unknown origin)				ACS Med Chem Lett 6: 770-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00091 BindingDB Entry DOI: 10.7270/Q29P33D2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50030261 (CHEMBL3339228) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCC(=O)NCCCN(CCCN(CCCCN(CCCNC(N)=N)C(N)=N)C(N)=N)C(N)=N)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C81H121N23O9S/c1-49(90-8)68(106)98-66(80(3,4)5)74(112)104-47-58(45-64(104)73(111)97-62-28-17-24-52-22-11-13-26-60(52)62)95-71(109)54-31-29-53(30-32-54)70(108)94-57-34-33-55-44-63(72(110)96-61-27-16-23-51-21-10-12-25-59(51)61)103(46-56(55)43-57)75(113)67(99-69(107)50(2)91-9)81(6,7)114-48-65(105)92-35-18-39-102(79(88)89)42-20-41-101(78(86)87)38-15-14-37-100(77(84)85)40-19-36-93-76(82)83/h10-13,21-22,25-26,29-34,43,49-50,58,61-64,66-67,90-91H,14-20,23-24,27-28,35-42,44-48H2,1-9H3,(H3,84,85)(H3,86,87)(H3,88,89)(H,92,105)(H,94,108)(H,95,109)(H,96,110)(H,97,111)(H,98,106)(H,99,107)(H4,82,83,93)/t49-,50-,58-,61+,62+,63-,64-,66+,67+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Inhibition of XIAP-BIR3 (unknown origin) by HTRF assay				Bioorg Med Chem Lett 24: 5022-9 (2014) Article DOI: 10.1016/j.bmcl.2014.09.022 BindingDB Entry DOI: 10.7270/Q22J6DG8
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50401483 (CHEMBL2204574) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)CCCC#CC#CCCCC(=O)NC[C@H]2CC[C@H]3CC[C@H](N3C(=O)[C@H]2NC(=O)[C@H](CC)NC)C(=O)NC(c2ccccc2)c2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C70H88N10O8/c1-5-55(71-3)65(83)77-63-51(37-39-53-41-43-57(79(53)69(63)87)67(85)75-61(47-27-17-13-18-28-47)48-29-19-14-20-30-48)45-73-59(81)35-25-11-9-7-8-10-12-26-36-60(82)74-46-52-38-40-54-42-44-58(80(54)70(88)64(52)78-66(84)56(6-2)72-4)68(86)76-62(49-31-21-15-22-32-49)50-33-23-16-24-34-50/h13-24,27-34,51-58,61-64,71-72H,5-6,11-12,25-26,35-46H2,1-4H3,(H,73,81)(H,74,82)(H,75,85)(H,76,86)(H,77,83)(H,78,84)/t51-,52-,53+,54+,55+,56+,57+,58+,63+,64+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of Smac-1F from human His-tagged XIAP linker BIR2-BIR3 linker (124 to 356 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50001129 (CHEMBL3236390) Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(=O)C(OCC#CC#CCOC(C(=O)N1CC[C@]2([H])C[C@]3([H])CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N3[C@]2([H])C1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C54H70N8O8/c1-35(55-3)49(63)57-43-23-15-21-41-31-39-25-27-59(33-45(39)61(41)51(43)65)53(67)47(37-17-9-7-10-18-37)69-29-13-5-6-14-30-70-48(38-19-11-8-12-20-38)54(68)60-28-26-40-32-42-22-16-24-44(58-50(64)36(2)56-4)52(66)62(42)46(40)34-60/h7-12,17-20,35-36,39-48,55-56H,15-16,21-34H2,1-4H3,(H,57,63)(H,58,64)/t35-,36-,39+,40+,41-,42-,43-,44-,45+,46+,47?,48?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 1820-4 (2014) Article DOI: 10.1016/j.bmcl.2014.02.016 BindingDB Entry DOI: 10.7270/Q2416ZJ7
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50001129 (CHEMBL3236390) Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(=O)C(OCC#CC#CCOC(C(=O)N1CC[C@]2([H])C[C@]3([H])CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N3[C@]2([H])C1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C54H70N8O8/c1-35(55-3)49(63)57-43-23-15-21-41-31-39-25-27-59(33-45(39)61(41)51(43)65)53(67)47(37-17-9-7-10-18-37)69-29-13-5-6-14-30-70-48(38-19-11-8-12-20-38)54(68)60-28-26-40-32-42-22-16-24-44(58-50(64)36(2)56-4)52(66)62(42)46(40)34-60/h7-12,17-20,35-36,39-48,55-56H,15-16,21-34H2,1-4H3,(H,57,63)(H,58,64)/t35-,36-,39+,40+,41-,42-,43-,44-,45+,46+,47?,48?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 1820-4 (2014) Article DOI: 10.1016/j.bmcl.2014.02.016 BindingDB Entry DOI: 10.7270/Q2416ZJ7
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50462129 (CHEMBL4244166) Show SMILES [#6]-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(cc1)C#C[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6@H](-[#7](-[#6]-1)-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6])C([#6])([#6])[#6])-[#6](=O)-[#7]-[#6@@H]-1-[#6]-[#6]-[#6]-c2ccccc-12)-[#6](=O)-[#7]-1-[#6][Si;v4]([#6])([#6])[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H]-1-[#6]-[#6]-[#6]-c2ccccc-12 |r| Show InChI InChI=1S/C57H77N9O7Si/c1-35(58-6)51(68)63-46(55(72)66-34-74(8,9)33-48(66)54(71)62-45-23-15-19-40-17-11-13-21-43(40)45)30-38-26-24-37(25-27-38)28-29-49(67)60-41-31-47(53(70)61-44-22-14-18-39-16-10-12-20-42(39)44)65(32-41)56(73)50(57(3,4)5)64-52(69)36(2)59-7/h10-13,16-17,20-21,24-27,35-36,41,44-48,50,58-59H,14-15,18-19,22-23,30-34H2,1-9H3,(H,60,67)(H,61,70)(H,62,71)(H,63,68)(H,64,69)/t35-,36-,41-,44+,45+,46-,47-,48-,50+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-National Chemical Laboratory Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged XIAP BIR2-3 domain (125 to 356 residues) C202A/C213G mutant (unknown origin) using fluorescein labeled SMAC pepti...				J Med Chem 61: 3779-3798 (2018) Article DOI: 10.1021/acs.jmedchem.7b00718 BindingDB Entry DOI: 10.7270/Q2GT5QTK
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50432755 (CHEMBL2348615) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)NCCCCCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C64H86N12O8/c1-43(65-3)57(77)69-51-41-73(39-35-49-31-33-53(75(49)61(51)81)59(79)71-55(45-23-13-9-14-24-45)46-25-15-10-16-26-46)63(83)67-37-21-7-5-6-8-22-38-68-64(84)74-40-36-50-32-34-54(76(50)62(82)52(42-74)70-58(78)44(2)66-4)60(80)72-56(47-27-17-11-18-28-47)48-29-19-12-20-30-48/h9-20,23-30,43-44,49-56,65-66H,5-8,21-22,31-42H2,1-4H3,(H,67,83)(H,68,84)(H,69,77)(H,70,78)(H,71,79)(H,72,80)/t43-,44-,49+,50+,51-,52-,53-,54-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to XIAP linker BIR2-BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-1F				J Med Chem 56: 3969-79 (2013) Article DOI: 10.1021/jm400216d BindingDB Entry DOI: 10.7270/Q2M61MNM
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM155979 (US9018214, 30) Show SMILES C[C@@H]1CN(CC(=O)N2CCc3ccc(cc23)S(C)(=O)=O)CCN1 |r| Show InChI InChI=1S/C16H23N3O3S/c1-12-10-18(8-6-17-12)11-16(20)19-7-5-13-3-4-14(9-15(13)19)23(2,21)22/h3-4,9,12,17H,5-8,10-11H2,1-2H3/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00164 BindingDB Entry DOI: 10.7270/Q24X5CTC
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50432761 (CHEMBL2348621) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)NCc1cccc(CNC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)NC(c2ccccc2)c2ccccc2)c1 |r| Show InChI InChI=1S/C64H78N12O8/c1-41(65-3)57(77)69-51-39-73(34-32-49-28-30-53(75(49)61(51)81)59(79)71-55(45-20-9-5-10-21-45)46-22-11-6-12-23-46)63(83)67-37-43-18-17-19-44(36-43)38-68-64(84)74-35-33-50-29-31-54(76(50)62(82)52(40-74)70-58(78)42(2)66-4)60(80)72-56(47-24-13-7-14-25-47)48-26-15-8-16-27-48/h5-27,36,41-42,49-56,65-66H,28-35,37-40H2,1-4H3,(H,67,83)(H,68,84)(H,69,77)(H,70,78)(H,71,79)(H,72,80)/t41-,42-,49+,50+,51-,52-,53-,54-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to XIAP linker BIR2-BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-1F				J Med Chem 56: 3969-79 (2013) Article DOI: 10.1021/jm400216d BindingDB Entry DOI: 10.7270/Q2M61MNM
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50432763 (CHEMBL2348623) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)NC(c2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C62H74N12O8/c1-39(63-3)55(75)67-49-37-71(35-33-47-29-31-51(73(47)59(49)79)57(77)69-53(41-17-9-5-10-18-41)42-19-11-6-12-20-42)61(81)65-45-25-27-46(28-26-45)66-62(82)72-36-34-48-30-32-52(74(48)60(80)50(38-72)68-56(76)40(2)64-4)58(78)70-54(43-21-13-7-14-22-43)44-23-15-8-16-24-44/h5-28,39-40,47-54,63-64H,29-38H2,1-4H3,(H,65,81)(H,66,82)(H,67,75)(H,68,76)(H,69,77)(H,70,78)/t39-,40-,47+,48+,49-,50-,51-,52-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to XIAP linker BIR2-BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-1F				J Med Chem 56: 3969-79 (2013) Article DOI: 10.1021/jm400216d BindingDB Entry DOI: 10.7270/Q2M61MNM
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50450038 (CHEMBL4171490) Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nnc(Cc4ccc(F)cc4F)cc23)[C@@H](CN2Cc3c(cccc3F)C2=O)CN1 |r| Show InChI InChI=1S/C31H33F3N6O2/c1-18-13-38(22(12-35-18)14-39-15-24-23(30(39)42)5-4-6-25(24)33)16-28(41)40-17-31(2,3)29-27(40)11-21(36-37-29)9-19-7-8-20(32)10-26(19)34/h4-8,10-11,18,22,35H,9,12-17H2,1-3H3/t18-,22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of full length FLAG-tagged XIAP (unknown origin) interaction with full length untagged caspase-9 expressed in HEK293 cells after 2 hrs by ...				J Med Chem 61: 7314-7329 (2018) Article DOI: 10.1021/acs.jmedchem.8b00900 BindingDB Entry DOI: 10.7270/Q2TT4THH
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50401476 (CHEMBL2205249) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNCc2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCc2ccc(CCCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CC[C@H](CNCc5ccccc5)[C@H](NC(=O)[C@H](CC)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C78H102N16O6/c1-5-63(79-3)73(95)85-71-59(49-81-47-55-25-11-7-12-26-55)37-39-61-41-43-67(93(61)77(71)99)75(97)83-69(57-29-15-9-16-30-57)65-51-91(89-87-65)45-21-19-23-53-33-35-54(36-34-53)24-20-22-46-92-52-66(88-90-92)70(58-31-17-10-18-32-58)84-76(98)68-44-42-62-40-38-60(50-82-48-56-27-13-8-14-28-56)72(78(100)94(62)68)86-74(96)64(6-2)80-4/h7-18,25-36,51-52,59-64,67-72,79-82H,5-6,19-24,37-50H2,1-4H3,(H,83,97)(H,84,98)(H,85,95)(H,86,96)/t59-,60-,61+,62+,63+,64+,67+,68+,69+,70+,71+,72+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of Smac-1F from human His-tagged XIAP linker BIR2-BIR3 linker (124 to 356 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50501942 (CHEMBL4437384) Show SMILES CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(OS(F)(=O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C28H35FN6O8S/c1-17(31-2)25(37)34-22(16-32-26(38)19-10-12-20(13-11-19)43-44(29,41)42)28(40)35-14-6-9-23(35)27(39)33-21(24(30)36)15-18-7-4-3-5-8-18/h3-5,7-8,10-13,17,21-23,31H,6,9,14-16H2,1-2H3,(H2,30,36)(H,32,38)(H,33,39)(H,34,37)/t17-,21-,22-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Covalent binding affinity to N-terminal His tagged recombinant human XIAP-BIR3 domain (253 to 347 residues) expressed in Escherichia coli BL21(DE3) c...				J Med Chem 62: 5616-5627 (2019) Article DOI: 10.1021/acs.jmedchem.9b00561 BindingDB Entry DOI: 10.7270/Q21J9F1P
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50432756 (CHEMBL2348616) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)NCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C60H78N12O8/c1-39(61-3)53(73)65-47-37-69(35-31-45-27-29-49(71(45)57(47)77)55(75)67-51(41-19-9-5-10-20-41)42-21-11-6-12-22-42)59(79)63-33-17-18-34-64-60(80)70-36-32-46-28-30-50(72(46)58(78)48(38-70)66-54(74)40(2)62-4)56(76)68-52(43-23-13-7-14-24-43)44-25-15-8-16-26-44/h5-16,19-26,39-40,45-52,61-62H,17-18,27-38H2,1-4H3,(H,63,79)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,76)/t39-,40-,45+,46+,47-,48-,49-,50-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to XIAP linker BIR2-BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-1F				J Med Chem 56: 3969-79 (2013) Article DOI: 10.1021/jm400216d BindingDB Entry DOI: 10.7270/Q2M61MNM
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50441819 (CHEMBL2436209 | US10053431, 89b) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccnc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O |r| Show InChI InChI=1S/C31H30BrN5O4/c1-19(33-2)29(38)35-25-18-37(30(39)21-7-6-14-34-16-21)27-9-5-4-8-26(27)36(31(25)40)17-24-23-12-11-22(32)15-20(23)10-13-28(24)41-3/h4-16,19,25,33H,17-18H2,1-3H3,(H,35,38)/t19-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Displacement of AVPIAQKSEK (epsilon-biotin)-OH from 6xhistidine-thrombin-TEV-tagged XIAP BIR2 domain (124 to 240) (unknown origin) after 45 mins by T...				J Med Chem 56: 7788-803 (2013) Article DOI: 10.1021/jm400732v BindingDB Entry DOI: 10.7270/Q2M32X6V
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50239425 (CHEMBL4064619) Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc23)[C@@H](CN2CCOC[C@H]2C)CN1 |r| Show InChI InChI=1S/C29H40FN5O2/c1-20-15-34(25(14-31-20)16-33-9-10-37-18-21(33)2)17-27(36)35-19-29(3,4)28-26(35)12-23(13-32-28)11-22-5-7-24(30)8-6-22/h5-8,12-13,20-21,25,31H,9-11,14-19H2,1-4H3/t20-,21-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of full length FLAG-tagged XIAP (unknown origin) interaction with full length untagged caspase-9 expressed in HEK293 cells after 2 hrs by ...				J Med Chem 61: 7314-7329 (2018) Article DOI: 10.1021/acs.jmedchem.8b00900 BindingDB Entry DOI: 10.7270/Q2TT4THH
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50401490 (CHEMBL2204570) Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](Cn2cc(CO[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N3CCC[C@H]3Cn3nnnc3Sc3ccccc3)nn2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C51H66N14O6S/c1-5-41(52)47(67)56-45-36(23-24-38-25-26-42(65(38)50(45)70)48(68)55-44(34-16-9-6-10-17-34)35-18-11-7-12-19-35)28-62-29-37(57-60-62)31-71-33(3)43(54-46(66)32(2)53-4)49(69)63-27-15-20-39(63)30-64-51(58-59-61-64)72-40-21-13-8-14-22-40/h6-14,16-19,21-22,29,32-33,36,38-39,41-45,53H,5,15,20,23-28,30-31,52H2,1-4H3,(H,54,66)(H,55,68)(H,56,67)/t32-,33+,36+,38-,39-,41-,42-,43-,45-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of Smac-1F from human His-tagged XIAP linker BIR2-BIR3 linker (124 to 356 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50343515 ((3S,6S,1'aS)-6-((S)-2-(Methylamino)propanamido)-N-...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCc2cn(CCCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N34)c3ccccc3)nn2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C58H81N17O6/c1-38(59-3)53(76)61-45-26-13-11-24-43-28-30-49(74(43)57(45)80)55(78)63-51(40-19-7-5-8-20-40)47-36-72(69-66-47)32-16-15-23-42-35-71(68-65-42)33-17-18-34-73-37-48(67-70-73)52(41-21-9-6-10-22-41)64-56(79)50-31-29-44-25-12-14-27-46(58(81)75(44)50)62-54(77)39(2)60-4/h5-10,19-22,35-39,43-46,49-52,59-60H,11-18,23-34H2,1-4H3,(H,61,76)(H,62,77)(H,63,78)(H,64,79)/t38-,39-,43-,44-,45-,46-,49-,50-,51-,52-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Competitive inhibition of human XIAP linker BIR2-BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polarization-based assay				J Med Chem 54: 3306-18 (2011) Article DOI: 10.1021/jm101651b BindingDB Entry DOI: 10.7270/Q2RJ4JSD
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50432760 (CHEMBL2348620) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cc2ccc(NC(=O)N3CC[C@H]4CC[C@H](N4C(=O)[C@H](C3)NC(=O)[C@H](C)NC)C(=O)NC(c3ccccc3)c3ccccc3)cc2)cc1 |r| Show InChI InChI=1S/C69H80N12O8/c1-44(70-3)62(82)74-56-42-78(39-37-54-33-35-58(80(54)66(56)86)64(84)76-60(48-17-9-5-10-18-48)49-19-11-6-12-20-49)68(88)72-52-29-25-46(26-30-52)41-47-27-31-53(32-28-47)73-69(89)79-40-38-55-34-36-59(81(55)67(87)57(43-79)75-63(83)45(2)71-4)65(85)77-61(50-21-13-7-14-22-50)51-23-15-8-16-24-51/h5-32,44-45,54-61,70-71H,33-43H2,1-4H3,(H,72,88)(H,73,89)(H,74,82)(H,75,83)(H,76,84)(H,77,85)/t44-,45-,54+,55+,56-,57-,58-,59-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to XIAP linker BIR2-BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-1F				J Med Chem 56: 3969-79 (2013) Article DOI: 10.1021/jm400216d BindingDB Entry DOI: 10.7270/Q2M61MNM
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50450044 (CHEMBL4167141) Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc23)[C@@H](CN2[C@H](C)COC[C@H]2C)CN1 |r| Show InChI InChI=1S/C30H42FN5O3/c1-19-13-34(25(12-32-19)14-35-20(2)16-39-17-21(35)3)15-27(37)36-18-30(4,5)28-26(36)11-23(29(38)33-28)10-22-6-8-24(31)9-7-22/h6-9,11,19-21,25,32H,10,12-18H2,1-5H3,(H,33,38)/t19-,20-,21-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of full length FLAG-tagged XIAP (unknown origin) interaction with full length untagged caspase-9 expressed in HEK293 cells after 2 hrs by ...				J Med Chem 61: 7314-7329 (2018) Article DOI: 10.1021/acs.jmedchem.8b00900 BindingDB Entry DOI: 10.7270/Q2TT4THH
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50343517 ((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCCOCCCCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N23)c2ccccc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C58H84N14O7/c1-39(59-3)53(73)61-45-27-15-13-25-43-29-31-49(71(43)57(45)77)55(75)63-51(41-21-9-5-10-22-41)47-37-69(67-65-47)33-17-7-19-35-79-36-20-8-18-34-70-38-48(66-68-70)52(42-23-11-6-12-24-42)64-56(76)50-32-30-44-26-14-16-28-46(58(78)72(44)50)62-54(74)40(2)60-4/h5-6,9-12,21-24,37-40,43-46,49-52,59-60H,7-8,13-20,25-36H2,1-4H3,(H,61,73)(H,62,74)(H,63,75)(H,64,76)/t39-,40-,43-,44-,45-,46-,49-,50-,51-,52-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Competitive inhibition of human XIAP linker BIR2-BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polarization-based assay				J Med Chem 54: 3306-18 (2011) Article DOI: 10.1021/jm101651b BindingDB Entry DOI: 10.7270/Q2RJ4JSD
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50343516 ((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCNC(=O)NCCCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N23)c2ccccc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C57H82N16O7/c1-37(58-3)51(74)62-43-25-13-11-23-41-27-29-47(72(41)55(43)78)53(76)64-49(39-19-7-5-8-20-39)45-35-70(68-66-45)33-17-15-31-60-57(80)61-32-16-18-34-71-36-46(67-69-71)50(40-21-9-6-10-22-40)65-54(77)48-30-28-42-24-12-14-26-44(56(79)73(42)48)63-52(75)38(2)59-4/h5-10,19-22,35-38,41-44,47-50,58-59H,11-18,23-34H2,1-4H3,(H,62,74)(H,63,75)(H,64,76)(H,65,77)(H2,60,61,80)/t37-,38-,41-,42-,43-,44-,47-,48-,49-,50-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Competitive inhibition of human XIAP linker BIR2-BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polarization-based assay				J Med Chem 54: 3306-18 (2011) Article DOI: 10.1021/jm101651b BindingDB Entry DOI: 10.7270/Q2RJ4JSD
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50450058 (CHEMBL4159806) Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nnc(Cc4ccc(F)cc4F)cc23)[C@@H](CN2Cc3ccc(cc3C2=O)C#N)CN1 |r| Show InChI InChI=1S/C32H33F2N7O2/c1-19-14-39(25(13-36-19)16-40-15-22-5-4-20(12-35)8-26(22)31(40)43)17-29(42)41-18-32(2,3)30-28(41)11-24(37-38-30)9-21-6-7-23(33)10-27(21)34/h4-8,10-11,19,25,36H,9,13-18H2,1-3H3/t19-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of full length FLAG-tagged XIAP (unknown origin) interaction with full length untagged caspase-9 expressed in HEK293 cells after 2 hrs by ...				J Med Chem 61: 7314-7329 (2018) Article DOI: 10.1021/acs.jmedchem.8b00900 BindingDB Entry DOI: 10.7270/Q2TT4THH
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50401484 (CHEMBL2204575) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)CCCCCCCCC(=O)NC[C@H]2CC[C@H]3CC[C@H](N3C(=O)[C@H]2NC(=O)[C@H](CC)NC)C(=O)NC(c2ccccc2)c2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C68H92N10O8/c1-5-53(69-3)63(81)75-61-49(35-37-51-39-41-55(77(51)67(61)85)65(83)73-59(45-25-15-11-16-26-45)46-27-17-12-18-28-46)43-71-57(79)33-23-9-7-8-10-24-34-58(80)72-44-50-36-38-52-40-42-56(78(52)68(86)62(50)76-64(82)54(6-2)70-4)66(84)74-60(47-29-19-13-20-30-47)48-31-21-14-22-32-48/h11-22,25-32,49-56,59-62,69-70H,5-10,23-24,33-44H2,1-4H3,(H,71,79)(H,72,80)(H,73,83)(H,74,84)(H,75,81)(H,76,82)/t49-,50-,51+,52+,53+,54+,55+,56+,61+,62+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of Smac-1F from human His-tagged XIAP linker BIR2-BIR3 linker (124 to 356 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM155971 (US9018214, 22) Show SMILES C[C@@H]1CN(CC(=O)N2CCc3ccc(cc23)C(F)(F)F)CCN1 |r| Show InChI InChI=1S/C16H20F3N3O/c1-11-9-21(7-5-20-11)10-15(23)22-6-4-12-2-3-13(8-14(12)22)16(17,18)19/h2-3,8,11,20H,4-7,9-10H2,1H3/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00164 BindingDB Entry DOI: 10.7270/Q24X5CTC
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50441831 (CHEMBL2436212 | US10053431, 91c) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C)o2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O |r| Show InChI InChI=1S/C31H31BrN4O5/c1-18-9-13-28(41-18)31(39)36-17-24(34-29(37)19(2)33-3)30(38)35(25-7-5-6-8-26(25)36)16-23-22-12-11-21(32)15-20(22)10-14-27(23)40-4/h5-15,19,24,33H,16-17H2,1-4H3,(H,34,37)/t19-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Displacement of AVPIAQKSEK (epsilon-biotin)-OH from 6xhistidine-thrombin-TEV-tagged XIAP BIR2 domain (124 to 240) (unknown origin) after 45 mins by T...				J Med Chem 56: 7788-803 (2013) Article DOI: 10.1021/jm400732v BindingDB Entry DOI: 10.7270/Q2M32X6V
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50441834 (CHEMBL2436330 | US10053431, 91a) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccccc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O |r| Show InChI InChI=1S/C32H31BrN4O4/c1-20(34-2)30(38)35-26-19-37(31(39)21-9-5-4-6-10-21)28-12-8-7-11-27(28)36(32(26)40)18-25-24-15-14-23(33)17-22(24)13-16-29(25)41-3/h4-17,20,26,34H,18-19H2,1-3H3,(H,35,38)/t20-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Displacement of AVPIAQKSEK (epsilon-biotin)-OH from 6xhistidine-thrombin-TEV-tagged XIAP BIR2 domain (124 to 240) (unknown origin) after 45 mins by T...				J Med Chem 56: 7788-803 (2013) Article DOI: 10.1021/jm400732v BindingDB Entry DOI: 10.7270/Q2M32X6V
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50441833 (CHEMBL2436334 | US10053431, 75b) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O |r| Show InChI InChI=1S/C33H33BrN4O4/c1-20-9-11-22(12-10-20)32(40)38-19-27(36-31(39)21(2)35-3)33(41)37(28-7-5-6-8-29(28)38)18-26-25-15-14-24(34)17-23(25)13-16-30(26)42-4/h5-17,21,27,35H,18-19H2,1-4H3,(H,36,39)/t21-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Displacement of AVPIAQKSEK (epsilon-biotin)-OH from 6xhistidine-thrombin-TEV-tagged XIAP BIR2 domain (124 to 240) (unknown origin) after 45 mins by T...				J Med Chem 56: 7788-803 (2013) Article DOI: 10.1021/jm400732v BindingDB Entry DOI: 10.7270/Q2M32X6V
					More data for this Ligand-Target Pair

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