Compile Data Set for Download or QSAR

Found 64 hits of kd 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))	BDBM50512894 (CHEMBL4518501) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(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	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.300	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))	BDBM50393508 (CHEMBL2158054) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCCCCCCCNC(=O)c2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)nn1)c1ccccc1)C(=O)CC(C)C |r,wU:2.2,15.20,22.23,12.16,7.6,(2.82,-34.14,;2.26,-32.71,;.74,-32.47,;-.23,-33.67,;.18,-31.04,;-1.34,-30.8,;1.14,-29.83,;.58,-28.4,;-.96,-28.37,;-2.02,-27.25,;-1.99,-25.7,;-.87,-24.63,;.67,-24.67,;1.4,-23.32,;2.91,-23.59,;3.13,-25.11,;1.74,-25.79,;1.7,-27.33,;3.11,-27.95,;4.49,-25.84,;4.54,-27.38,;5.6,-24.78,;7.08,-25.21,;7.56,-26.68,;9.01,-27.15,;9.01,-28.69,;10.33,-29.49,;11.68,-28.74,;13,-29.54,;14.35,-28.79,;15.67,-29.59,;17.02,-28.84,;18.34,-29.64,;19.69,-28.89,;21.01,-29.68,;22.36,-28.93,;23.68,-29.73,;25.03,-28.98,;25.06,-27.44,;26.35,-29.78,;26.31,-31.32,;27.63,-32.11,;28.98,-31.37,;29.01,-29.82,;27.69,-29.03,;29.76,-28.47,;28.98,-27.15,;31.31,-28.46,;30.3,-32.16,;31.64,-31.41,;31.66,-29.89,;32.99,-29.13,;34.32,-29.92,;35.67,-29.17,;34.3,-31.46,;32.96,-32.2,;32.94,-33.74,;31.59,-34.5,;31.56,-36.02,;30.22,-36.76,;30.2,-38.3,;28.9,-35.97,;28.93,-34.44,;30.28,-33.7,;7.55,-29.17,;6.64,-27.92,;8.2,-24.15,;9.67,-24.58,;10.79,-23.53,;10.42,-22.03,;8.94,-21.59,;7.83,-22.66,;-3.52,-27.61,;-4.58,-26.5,;-3.95,-29.09,;-5.45,-29.46,;-5.88,-30.94,;-6.52,-28.35,)| Show InChI InChI=1S/C59H71N9O10/c1-36(2)30-52(71)66-29-26-40-19-25-49(68(40)58(75)48(34-66)62-55(72)37(3)60-4)57(74)63-54(38-16-12-11-13-17-38)47-35-67(65-64-47)28-15-10-8-6-5-7-9-14-27-61-56(73)39-18-22-43(46(31-39)59(76)77)53-44-23-20-41(69)32-50(44)78-51-33-42(70)21-24-45(51)53/h11-13,16-18,20-24,31-33,35-37,40,48-49,54,60,69H,5-10,14-15,19,25-30,34H2,1-4H3,(H,61,73)(H,62,72)(H,63,74)(H,76,77)/t37-,40+,48-,49-,54-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to His6-tagged human XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) assessed as dissociation constant after 2 to 3 hrs by ...				J Med Chem 54: 2714-26 (2011) Article DOI: 10.1021/jm101505d BindingDB Entry DOI: 10.7270/Q2H70GXK
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50512892 (CHEMBL4460352) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H](Oc2ccccc2)[C@H]1C(=O)N[C@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C31H42N4O4/c1-20(32-5)28(36)34-27(31(2,3)4)30(38)35-19-18-25(39-22-14-7-6-8-15-22)26(35)29(37)33-24-17-11-13-21-12-9-10-16-23(21)24/h6-10,12,14-16,20,24-27,32H,11,13,17-19H2,1-5H3,(H,33,37)(H,34,36)/t20-,24-,25+,26-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a
Ningxia Medical University Curated by ChEMBL					Assay Description Binding affinity to XIAP-BIR3 domain (241 to 356 residues) (unknown origin) by fluorescence polarization-based competition assay				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))	BDBM13174 ((2S,4S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamin...) 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)Oc1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C31H42N4O4/c1-20(32-5)28(36)34-27(31(2,3)4)30(38)35-19-23(39-22-14-7-6-8-15-22)18-26(35)29(37)33-25-17-11-13-21-12-9-10-16-24(21)25/h6-10,12,14-16,20,23,25-27,32H,11,13,17-19H2,1-5H3,(H,33,37)(H,34,36)/t20-,23-,25+,26-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a
Queen's University of Belfast Curated by ChEMBL					Assay Description Binding affinity to XIAP BIR3-domain (unknown origin)				Bioorg Med Chem 21: 5004-11 (2013) Article DOI: 10.1016/j.bmc.2013.06.055 BindingDB Entry DOI: 10.7270/Q2SQ91S4
					More data for this Ligand-Target Pair				3D Structure (crystal)
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM13167 ((2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)p...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C25H38N4O3/c1-16(26-5)22(30)28-21(25(2,3)4)24(32)29-15-9-14-20(29)23(31)27-19-13-8-11-17-10-6-7-12-18(17)19/h6-7,10,12,16,19-21,26H,8-9,11,13-15H2,1-5H3,(H,27,31)(H,28,30)/t16-,19-,20-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a
Ningxia Medical University Curated by ChEMBL					Assay Description Binding affinity to XIAP-BIR3 domain (241 to 356 residues) (unknown origin) by fluorescence polarization-based competition assay				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))	BDBM50546196 (CHEBI:47922 | CHEMBL2048500) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)OC |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to XIAP-BIR3 (unknown origin) (124 to 240 residues) expressed in Escherichia coli BL21-Gold (DE3) by surface plasmon resonance assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00093 BindingDB Entry DOI: 10.7270/Q2MC93N5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM32580 (CS-3) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CC[C@H](C)[C@H]1C(=O)Nc1ccccc1-c1ncccn1 |r| Show InChI InChI=1S/C28H38N6O3/c1-18-14-17-34(28(37)23(20-10-5-4-6-11-20)33-26(35)19(2)29-3)24(18)27(36)32-22-13-8-7-12-21(22)25-30-15-9-16-31-25/h7-9,12-13,15-16,18-20,23-24,29H,4-6,10-11,14,17H2,1-3H3,(H,32,36)(H,33,35)/t18-,19-,23-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a
Ningxia Medical University Curated by ChEMBL					Assay Description Binding affinity to XIAP-BIR3 domain (241 to 356 residues) (unknown origin) by fluorescence polarization-based competition assay				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				3D Structure (crystal)
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50512891 (CHEMBL4459769) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C27H40N4O3/c1-18(28-2)25(32)30-24(20-11-4-3-5-12-20)27(34)31-17-9-16-23(31)26(33)29-22-15-8-13-19-10-6-7-14-21(19)22/h6-7,10,14,18,20,22-24,28H,3-5,8-9,11-13,15-17H2,1-2H3,(H,29,33)(H,30,32)/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	n/a	16	n/a	n/a	n/a	n/a	n/a
Ningxia Medical University Curated by ChEMBL					Assay Description Binding affinity to XIAP-BIR3 domain (241 to 356 residues) (unknown origin) by fluorescence polarization-based competition assay				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))	BDBM50145770 (6-Amino-2-[(S)-2-((S)-2-{(S)-2-[((R)-{1-[(S)-2-((S...) Show SMILES C[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C37H60N12O9/c1-21(39)30(51)46-25(13-8-18-43-37(41)42)35(56)49-19-9-14-28(49)34(55)48-27(20-23-10-4-3-5-11-23)33(54)44-22(2)31(52)45-24(15-16-29(40)50)32(53)47-26(36(57)58)12-6-7-17-38/h3-5,10-11,21-22,24-28H,6-9,12-20,38-39H2,1-2H3,(H2,40,50)(H,44,54)(H,45,52)(H,46,51)(H,47,53)(H,48,55)(H,57,58)(H4,41,42,43)/t21-,22-,24-,25-,26-,27-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a
University of Michigan Comprehensive Cancer Center Curated by ChEMBL					Assay Description Dissociation constant for XIAP BIR3 protein using different binding assay				J Med Chem 47: 2430-40 (2004) Article DOI: 10.1021/jm030420+ BindingDB Entry DOI: 10.7270/Q2Q81DT0
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM26218 ((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C28H36N4O3/c1-19(29-2)26(33)30-23-16-10-9-15-22-17-18-24(32(22)28(23)35)27(34)31-25(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,19,22-25,29H,9-10,15-18H2,1-2H3,(H,30,33)(H,31,34)/t19-,22-,23-,24-/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	n/a	26	n/a	n/a	n/a	n/a	n/a
Ningxia Medical University Curated by ChEMBL					Assay Description Binding affinity to XIAP-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))	BDBM50388975 (CHEMBL2063869) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1 |r| Show InChI InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a
Ningxia Medical University Curated by ChEMBL					Assay Description Binding affinity to XIAP-BIR3 domain (241 to 356 residues) (unknown origin) by fluorescence polarization-based competition assay				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))	BDBM13169 ((2S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-3,...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C24H36N4O3/c1-15(25-5)21(29)27-20(24(2,3)4)23(31)28-14-8-11-19(28)22(30)26-18-13-12-16-9-6-7-10-17(16)18/h6-7,9-10,15,18-20,25H,8,11-14H2,1-5H3,(H,26,30)(H,27,29)/t15-,18-,19-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a
Ningxia Medical University Curated by ChEMBL					Assay Description Binding affinity to XIAP-BIR3 domain (241 to 356 residues) (unknown origin) by fluorescence polarization-based competition assay				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))	BDBM50438755 (CHEMBL3037930) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C30H40N6O6/c1-17(2)24(34-27(39)18(3)31)30(42)36-15-7-10-23(36)28(40)35-25(20-8-5-4-6-9-20)29(41)33-22(26(32)38)16-19-11-13-21(37)14-12-19/h4-6,8-9,11-14,17-18,22-25,37H,7,10,15-16,31H2,1-3H3,(H2,32,38)(H,33,41)(H,34,39)(H,35,40)/t18-,22-,23-,24-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a
Queen's University of Belfast Curated by ChEMBL					Assay Description Binding affinity to XIAP BIR3-domain (unknown origin)				Bioorg Med Chem 21: 5004-11 (2013) Article DOI: 10.1016/j.bmc.2013.06.055 BindingDB Entry DOI: 10.7270/Q2SQ91S4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50336825 ((1S,3S,9aS)-1-benzyl-6-((S)-2-(methylamino)propana...) Show SMILES CN[C@@H](C)C(=O)NC1CCC[C@H]2[C@@H](Cc3ccccc3)C[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C31H40N4O3/c1-20(32-2)29(36)34-26-16-9-17-27-23(18-21-10-4-3-5-11-21)19-28(35(27)31(26)38)30(37)33-25-15-8-13-22-12-6-7-14-24(22)25/h3-7,10-12,14,20,23,25-28,32H,8-9,13,15-19H2,1-2H3,(H,33,37)(H,34,36)/t20-,23-,25+,26?,27-,28-/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	n/a	31	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of XIAP by FP assay				J Med Chem 54: 890-900 (2012) Article DOI: 10.1021/jm101341m BindingDB Entry DOI: 10.7270/Q2G73FQ9
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50145772 (ARPFAQK-FAM | CHEMBL384327) Show SMILES C[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C(C)CCCNC(=O)c1c(cccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)ON1C(=O)CCC1=O)C(O)=O |wU:20.21,1.1,35.37,wD:24.24,6.5,40.41,(31.3,11.3,;31.12,12.52,;32.08,13.28,;29.68,13.08,;29.5,14.3,;28.48,12.12,;27.04,12.69,;26.82,14.21,;28.03,15.17,;27.8,16.69,;29.01,17.65,;28.79,19.17,;27.64,19.63,;29.75,19.94,;25.83,11.73,;24.69,12.18,;26.06,10.21,;27.42,9.48,;27.16,7.97,;25.63,7.76,;24.97,9.13,;23.46,9.4,;22.66,8.46,;22.93,10.85,;21.41,11.12,;20.89,12.57,;21.88,13.75,;21.37,15.2,;22.36,16.37,;23.88,16.1,;24.4,14.65,;23.4,13.47,;20.42,9.94,;20.84,8.78,;18.9,10.21,;17.91,9.03,;18.33,7.88,;16.39,9.3,;15.97,10.46,;15.4,8.12,;13.89,8.39,;13.36,9.84,;14.36,11.02,;13.83,12.47,;12.62,12.69,;14.63,13.41,;12.89,7.22,;13.31,6.06,;11.37,7.49,;10.38,6.31,;8.86,6.57,;8.44,7.73,;7.87,5.4,;6.36,5.67,;5.36,4.49,;3.85,4.76,;2.85,3.58,;3.27,2.43,;1.33,3.85,;1.33,5.39,;,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;,1.54,;1.31,.77,;2.67,1.54,;4,.77,;4,-.77,;5.06,-1.39,;2.67,-1.54,;1.31,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-5.07,-1.39,;-4,.77,;-2.67,1.54,;-1.33,.77,;2.67,6.16,;3.73,5.55,;2.67,7.7,;4,8.48,;5.38,7.84,;5.63,6.63,;6.41,8.99,;5.64,10.32,;4.14,10,;3.22,10.82,;10.91,4.86,;10.12,3.92,;12.12,4.65,)| Show InChI InChI=1S/C63H75N13O17/c1-32(11-8-26-68-59(87)52-40(14-7-15-41(52)62(91)93-76-49(80)24-25-50(76)81)51-38-20-18-36(77)30-46(38)92-47-31-37(78)19-21-39(47)51)53(61(89)90)74-56(84)42(22-23-48(65)79)71-55(83)34(3)70-57(85)44(29-35-12-5-4-6-13-35)73-58(86)45-17-10-28-75(45)60(88)43(72-54(82)33(2)64)16-9-27-69-63(66)67/h4-7,12-15,18-21,30-34,42-45,53,77H,8-11,16-17,22-29,64H2,1-3H3,(H2,65,79)(H,68,87)(H,70,85)(H,71,83)(H,72,82)(H,73,86)(H,74,84)(H,89,90)(H4,66,67,69)/t32?,33-,34-,42-,43-,44-,45-,53?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a
University of Michigan Comprehensive Cancer Center Curated by ChEMBL					Assay Description Dissociation constant towards X-linked inhibitor of apoptosis (XIAP) BIR3 protein was determined				J Med Chem 47: 2430-40 (2004) Article DOI: 10.1021/jm030420+ BindingDB Entry DOI: 10.7270/Q2Q81DT0
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50145770 (6-Amino-2-[(S)-2-((S)-2-{(S)-2-[((R)-{1-[(S)-2-((S...) Show SMILES C[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C37H60N12O9/c1-21(39)30(51)46-25(13-8-18-43-37(41)42)35(56)49-19-9-14-28(49)34(55)48-27(20-23-10-4-3-5-11-23)33(54)44-22(2)31(52)45-24(15-16-29(40)50)32(53)47-26(36(57)58)12-6-7-17-38/h3-5,10-11,21-22,24-28H,6-9,12-20,38-39H2,1-2H3,(H2,40,50)(H,44,54)(H,45,52)(H,46,51)(H,47,53)(H,48,55)(H,57,58)(H4,41,42,43)/t21-,22-,24-,25-,26-,27-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a
University of Michigan Comprehensive Cancer Center Curated by ChEMBL					Assay Description Dissociation constant for XIAP BIR3 protein in FP-based binding assay				J Med Chem 47: 2430-40 (2004) Article DOI: 10.1021/jm030420+ BindingDB Entry DOI: 10.7270/Q2Q81DT0
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50438756 (CHEMBL2414998) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C32H44N6O6/c1-19(2)27(37-29(41)20(3)34-4)32(44)38-16-8-11-26(38)31(43)36-25(18-21-9-6-5-7-10-21)30(42)35-24(28(33)40)17-22-12-14-23(39)15-13-22/h5-7,9-10,12-15,19-20,24-27,34,39H,8,11,16-18H2,1-4H3,(H2,33,40)(H,35,42)(H,36,43)(H,37,41)/t20-,24-,25-,26-,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	n/a	40	n/a	n/a	n/a	n/a	n/a
Queen's University of Belfast Curated by ChEMBL					Assay Description Binding affinity to XIAP BIR3-domain (unknown origin)				Bioorg Med Chem 21: 5004-11 (2013) Article DOI: 10.1016/j.bmc.2013.06.055 BindingDB Entry DOI: 10.7270/Q2SQ91S4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50071920 (Birinapant | TL-32711) Show SMILES CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](O)C[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1[nH]c2cc(F)ccc2c1C[C@@H]1C[C@H](O)CN1C(=O)[C@H](CC)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C42H56F2N8O6/c1-7-33(49-39(55)21(3)45-5)41(57)51-19-27(53)15-25(51)17-31-29-11-9-23(43)13-35(29)47-37(31)38-32(30-12-10-24(44)14-36(30)48-38)18-26-16-28(54)20-52(26)42(58)34(8-2)50-40(56)22(4)46-6/h9-14,21-22,25-28,33-34,45-48,53-54H,7-8,15-20H2,1-6H3,(H,49,55)(H,50,56)/t21-,22-,25-,26-,27-,28-,33-,34-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a
Ningxia Medical University Curated by ChEMBL					Assay Description Binding affinity to XIAP-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				3D Structure (crystal)
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50441356 (CHEMBL2431768) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H33FN4O3S/c1-16(28-2)24(33)30-22(17-7-4-3-5-8-17)26(34)31-14-6-9-21(31)25-29-20(15-35-25)23(32)18-10-12-19(27)13-11-18/h10-13,15-17,21-22,28H,3-9,14H2,1-2H3,(H,30,33)/t16-,21-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a
Ningxia Medical University Curated by ChEMBL					Assay Description Binding affinity to XIAP-BIR3 domain (241 to 356 residues) (unknown origin) by fluorescence polarization-based competition assay				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))	BDBM50438757 (CHEMBL2414997) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C31H42N6O6/c1-18(2)26(36-28(40)19(3)32)31(43)37-15-7-10-25(37)30(42)35-24(17-20-8-5-4-6-9-20)29(41)34-23(27(33)39)16-21-11-13-22(38)14-12-21/h4-6,8-9,11-14,18-19,23-26,38H,7,10,15-17,32H2,1-3H3,(H2,33,39)(H,34,41)(H,35,42)(H,36,40)/t19-,23-,24-,25-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a
Queen's University of Belfast Curated by ChEMBL					Assay Description Binding affinity to XIAP BIR3-domain (unknown origin)				Bioorg Med Chem 21: 5004-11 (2013) Article DOI: 10.1016/j.bmc.2013.06.055 BindingDB Entry DOI: 10.7270/Q2SQ91S4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50465625 (CHEMBL4288451) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)S(O)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2F |r| Show InChI InChI=1S/C27H33FN4O6S/c1-16(29-2)25(33)31-23(15-17-8-10-18(11-9-17)39(36,37)38)27(35)32-14-4-7-24(32)26(34)30-22-13-12-19-20(22)5-3-6-21(19)28/h3,5-6,8-11,16,22-24,29H,4,7,12-15H2,1-2H3,(H,30,34)(H,31,33)(H,36,37,38)/t16-,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	n/a	70	n/a	n/a	n/a	n/a	n/a
University of California Riverside Curated by ChEMBL					Assay Description Binding affinity to N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3) Gold by isotherma...				J Med Chem 61: 6350-6363 (2018) Article DOI: 10.1021/acs.jmedchem.8b00810 BindingDB Entry DOI: 10.7270/Q29W0J4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50465641 (CHEMBL4278294) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1cc(C)c(cc1F)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C29H35F4N5O4/c1-16-12-19(21(30)15-20(16)29(31,32)33)14-23(37-26(40)17(2)35-3)28(42)38-11-7-10-24(38)27(41)36-22(25(34)39)13-18-8-5-4-6-9-18/h4-6,8-9,12,15,17,22-24,35H,7,10-11,13-14H2,1-3H3,(H2,34,39)(H,36,41)(H,37,40)/t17-,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	n/a	81	n/a	n/a	n/a	n/a	n/a
University of California Riverside Curated by ChEMBL					Assay Description Binding affinity to N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3) Gold by isotherma...				J Med Chem 61: 6350-6363 (2018) Article DOI: 10.1021/acs.jmedchem.8b00810 BindingDB Entry DOI: 10.7270/Q29W0J4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50465646 (CHEMBL4277802) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2F |r| Show InChI InChI=1S/C27H32FN5O5/c1-16(29-2)25(34)31-23(15-17-8-10-18(11-9-17)33(37)38)27(36)32-14-4-7-24(32)26(35)30-22-13-12-19-20(22)5-3-6-21(19)28/h3,5-6,8-11,16,22-24,29H,4,7,12-15H2,1-2H3,(H,30,35)(H,31,34)/t16-,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	n/a	81	n/a	n/a	n/a	n/a	n/a
University of California Riverside Curated by ChEMBL					Assay Description Binding affinity to N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3) Gold by isotherma...				J Med Chem 61: 6350-6363 (2018) Article DOI: 10.1021/acs.jmedchem.8b00810 BindingDB Entry DOI: 10.7270/Q29W0J4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50465645 (CHEMBL4288478) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1cc(C)c(cc1F)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2F |r| Show InChI InChI=1S/C29H33F5N4O3/c1-15-12-17(22(31)14-20(15)29(32,33)34)13-24(37-26(39)16(2)35-3)28(41)38-11-5-8-25(38)27(40)36-23-10-9-18-19(23)6-4-7-21(18)30/h4,6-7,12,14,16,23-25,35H,5,8-11,13H2,1-3H3,(H,36,40)(H,37,39)/t16-,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	n/a	86	n/a	n/a	n/a	n/a	n/a
University of California Riverside Curated by ChEMBL					Assay Description Binding affinity to N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3) Gold by isotherma...				J Med Chem 61: 6350-6363 (2018) Article DOI: 10.1021/acs.jmedchem.8b00810 BindingDB Entry DOI: 10.7270/Q29W0J4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50388975 (CHEMBL2063869) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1 |r| Show InChI InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a
University of California Riverside Curated by ChEMBL					Assay Description Binding affinity to N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3) Gold by isotherma...				J Med Chem 61: 6350-6363 (2018) Article DOI: 10.1021/acs.jmedchem.8b00810 BindingDB Entry DOI: 10.7270/Q29W0J4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50465630 (CHEMBL4276715) Show SMILES CN[C@@H](C)C(=O)N[C@@H](CCN)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCc2c1cccc2F |r| Show InChI InChI=1S/C22H32FN5O3/c1-13(25-2)20(29)27-18(10-11-24)22(31)28-12-4-7-19(28)21(30)26-17-9-8-14-15(17)5-3-6-16(14)23/h3,5-6,13,17-19,25H,4,7-12,24H2,1-2H3,(H,26,30)(H,27,29)/t13-,17+,18-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a
University of California Riverside Curated by ChEMBL					Assay Description Binding affinity to N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3) Gold by isotherma...				J Med Chem 61: 6350-6363 (2018) Article DOI: 10.1021/acs.jmedchem.8b00810 BindingDB Entry DOI: 10.7270/Q29W0J4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50388975 (CHEMBL2063869) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1 |r| Show InChI InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a
Ningxia Medical University Curated by ChEMBL					Assay Description Binding affinity to XIAP-BIR2 domain (unknown origin) by fluorescence polarization-based competition assay				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))	BDBM50512894 (CHEMBL4518501) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(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	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a
Ningxia Medical University Curated by ChEMBL					Assay Description Binding affinity to XIAP-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))	BDBM50465650 (CHEMBL4282156) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC1CCc2c1cccc2F |r| Show InChI InChI=1S/C23H33FN4O3/c1-13(2)20(27-21(29)14(3)25-4)23(31)28-12-6-9-19(28)22(30)26-18-11-10-15-16(18)7-5-8-17(15)24/h5,7-8,13-14,18-20,25H,6,9-12H2,1-4H3,(H,26,30)(H,27,29)/t14-,18?,19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a
University of California Riverside Curated by ChEMBL					Assay Description Binding affinity to N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3) Gold by isotherma...				J Med Chem 61: 6350-6363 (2018) Article DOI: 10.1021/acs.jmedchem.8b00810 BindingDB Entry DOI: 10.7270/Q29W0J4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50465651 (CHEMBL4287773) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1cc(Cl)cc(c1)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C28H33ClF3N5O4/c1-16(34-2)25(39)36-22(14-18-11-19(28(30,31)32)15-20(29)12-18)27(41)37-10-6-9-23(37)26(40)35-21(24(33)38)13-17-7-4-3-5-8-17/h3-5,7-8,11-12,15-16,21-23,34H,6,9-10,13-14H2,1-2H3,(H2,33,38)(H,35,40)(H,36,39)/t16-,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	n/a	133	n/a	n/a	n/a	n/a	n/a
University of California Riverside Curated by ChEMBL					Assay Description Binding affinity to N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3) Gold by isotherma...				J Med Chem 61: 6350-6363 (2018) Article DOI: 10.1021/acs.jmedchem.8b00810 BindingDB Entry DOI: 10.7270/Q29W0J4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50465623 (CHEMBL4283320) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)S(O)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C27H35N5O7S/c1-17(29-2)25(34)31-22(16-19-10-12-20(13-11-19)40(37,38)39)27(36)32-14-6-9-23(32)26(35)30-21(24(28)33)15-18-7-4-3-5-8-18/h3-5,7-8,10-13,17,21-23,29H,6,9,14-16H2,1-2H3,(H2,28,33)(H,30,35)(H,31,34)(H,37,38,39)/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	n/a	155	n/a	n/a	n/a	n/a	n/a
University of California Riverside Curated by ChEMBL					Assay Description Binding affinity to N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3) Gold by isotherma...				J Med Chem 61: 6350-6363 (2018) Article DOI: 10.1021/acs.jmedchem.8b00810 BindingDB Entry DOI: 10.7270/Q29W0J4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50465656 (CHEMBL4295015) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(c(F)c1)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C28H33F4N5O4/c1-16(34-2)25(39)36-22(15-18-10-11-19(20(29)13-18)28(30,31)32)27(41)37-12-6-9-23(37)26(40)35-21(24(33)38)14-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,16,21-23,34H,6,9,12,14-15H2,1-2H3,(H2,33,38)(H,35,40)(H,36,39)/t16-,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	n/a	155	n/a	n/a	n/a	n/a	n/a
University of California Riverside Curated by ChEMBL					Assay Description Binding affinity to N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3) Gold by isotherma...				J Med Chem 61: 6350-6363 (2018) Article DOI: 10.1021/acs.jmedchem.8b00810 BindingDB Entry DOI: 10.7270/Q29W0J4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50465640 (CHEMBL4288974) Show SMILES [#6]-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r| Show InChI InChI=1S/C28H38N8O4/c1-17(32-2)25(38)35-22(16-19-10-12-20(13-11-19)33-28(30)31)27(40)36-14-6-9-23(36)26(39)34-21(24(29)37)15-18-7-4-3-5-8-18/h3-5,7-8,10-13,17,21-23,32H,6,9,14-16H2,1-2H3,(H2,29,37)(H,34,39)(H,35,38)(H4,30,31,33)/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	n/a	182	n/a	n/a	n/a	n/a	n/a
University of California Riverside Curated by ChEMBL					Assay Description Binding affinity to N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3) Gold by isotherma...				J Med Chem 61: 6350-6363 (2018) Article DOI: 10.1021/acs.jmedchem.8b00810 BindingDB Entry DOI: 10.7270/Q29W0J4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50465636 (CHEMBL4284370) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(c(Cl)c1)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C28H33ClF3N5O4/c1-16(34-2)25(39)36-22(15-18-10-11-19(20(29)13-18)28(30,31)32)27(41)37-12-6-9-23(37)26(40)35-21(24(33)38)14-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,16,21-23,34H,6,9,12,14-15H2,1-2H3,(H2,33,38)(H,35,40)(H,36,39)/t16-,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	n/a	190	n/a	n/a	n/a	n/a	n/a
University of California Riverside Curated by ChEMBL					Assay Description Binding affinity to N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3) Gold by isotherma...				J Med Chem 61: 6350-6363 (2018) Article DOI: 10.1021/acs.jmedchem.8b00810 BindingDB Entry DOI: 10.7270/Q29W0J4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50465638 (CHEMBL4278366) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1F)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C28H33F4N5O4/c1-16(34-2)25(39)36-22(14-18-10-11-19(15-20(18)29)28(30,31)32)27(41)37-12-6-9-23(37)26(40)35-21(24(33)38)13-17-7-4-3-5-8-17/h3-5,7-8,10-11,15-16,21-23,34H,6,9,12-14H2,1-2H3,(H2,33,38)(H,35,40)(H,36,39)/t16-,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	n/a	194	n/a	n/a	n/a	n/a	n/a
University of California Riverside Curated by ChEMBL					Assay Description Binding affinity to N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3) Gold by isotherma...				J Med Chem 61: 6350-6363 (2018) Article DOI: 10.1021/acs.jmedchem.8b00810 BindingDB Entry DOI: 10.7270/Q29W0J4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50512889 (CHEMBL4518625) Show SMILES [H][C@]12C[C@H](CN1C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCC(F)(F)CC1)C(=O)N[C@H]1CCOc2ccccc12)OCC |r| Show InChI InChI=1S/C31H45F2N5O5/c1-4-42-22-15-21-16-38(30(41)27(36-28(39)19(2)34-3)20-9-12-31(32,33)13-10-20)25(18-37(21)17-22)29(40)35-24-11-14-43-26-8-6-5-7-23(24)26/h5-8,19-22,24-25,27,34H,4,9-18H2,1-3H3,(H,35,40)(H,36,39)/t19-,21+,22+,24-,25-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a
Ningxia Medical University Curated by ChEMBL					Assay Description Binding affinity to XIAP-BIR3 domain (241 to 356 residues) (unknown origin) by fluorescence polarization-based competition assay				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))	BDBM50465634 (CHEMBL4291176) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(CP(O)(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C28H38N5O7P/c1-18(30-2)26(35)32-23(16-20-10-12-21(13-11-20)17-41(38,39)40)28(37)33-14-6-9-24(33)27(36)31-22(25(29)34)15-19-7-4-3-5-8-19/h3-5,7-8,10-13,18,22-24,30H,6,9,14-17H2,1-2H3,(H2,29,34)(H,31,36)(H,32,35)(H2,38,39,40)/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	n/a	206	n/a	n/a	n/a	n/a	n/a
University of California Riverside Curated by ChEMBL					Assay Description Binding affinity to N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3) Gold by isotherma...				J Med Chem 61: 6350-6363 (2018) Article DOI: 10.1021/acs.jmedchem.8b00810 BindingDB Entry DOI: 10.7270/Q29W0J4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50465639 (CHEMBL4292374) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C28H34F3N5O4/c1-17(33-2)25(38)35-22(16-19-10-12-20(13-11-19)28(29,30)31)27(40)36-14-6-9-23(36)26(39)34-21(24(32)37)15-18-7-4-3-5-8-18/h3-5,7-8,10-13,17,21-23,33H,6,9,14-16H2,1-2H3,(H2,32,37)(H,34,39)(H,35,38)/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	n/a	213	n/a	n/a	n/a	n/a	n/a
University of California Riverside Curated by ChEMBL					Assay Description Binding affinity to N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3) Gold by isotherma...				J Med Chem 61: 6350-6363 (2018) Article DOI: 10.1021/acs.jmedchem.8b00810 BindingDB Entry DOI: 10.7270/Q29W0J4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50512893 (CHEMBL4460096) Show SMILES [H][C@]12Cc3cc(Cl)ccc3N1C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](CC)NC)C1CCCCC1)C(=O)N[C@H]1CCOc2ccccc12 |r| Show InChI InChI=1S/C34H44ClN5O4/c1-3-26(36-2)32(41)38-31(21-9-5-4-6-10-21)34(43)40-19-24-18-22-17-23(35)13-14-28(22)39(24)20-29(40)33(42)37-27-15-16-44-30-12-8-7-11-25(27)30/h7-8,11-14,17,21,24,26-27,29,31,36H,3-6,9-10,15-16,18-20H2,1-2H3,(H,37,42)(H,38,41)/t24-,26+,27+,29+,31+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a
Ningxia Medical University Curated by ChEMBL					Assay Description Binding affinity to XIAP-BIR3 domain (241 to 356 residues) (unknown origin) by fluorescence polarization-based competition assay				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))	BDBM50465654 (CHEMBL4281757) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C28H34F3N5O5/c1-17(33-2)25(38)35-22(16-19-10-12-20(13-11-19)41-28(29,30)31)27(40)36-14-6-9-23(36)26(39)34-21(24(32)37)15-18-7-4-3-5-8-18/h3-5,7-8,10-13,17,21-23,33H,6,9,14-16H2,1-2H3,(H2,32,37)(H,34,39)(H,35,38)/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	n/a	227	n/a	n/a	n/a	n/a	n/a
University of California Riverside Curated by ChEMBL					Assay Description Binding affinity to N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3) Gold by isotherma...				J Med Chem 61: 6350-6363 (2018) Article DOI: 10.1021/acs.jmedchem.8b00810 BindingDB Entry DOI: 10.7270/Q29W0J4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50465653 (CHEMBL4286273) Show SMILES CN[C@@H](C)C(=O)N[C@@H](CCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C22H34N6O4/c1-14(25-2)20(30)26-16(10-11-23)22(32)28-12-6-9-18(28)21(31)27-17(19(24)29)13-15-7-4-3-5-8-15/h3-5,7-8,14,16-18,25H,6,9-13,23H2,1-2H3,(H2,24,29)(H,26,30)(H,27,31)/t14-,16-,17-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a
University of California Riverside Curated by ChEMBL					Assay Description Binding affinity to N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3) Gold by isotherma...				J Med Chem 61: 6350-6363 (2018) Article DOI: 10.1021/acs.jmedchem.8b00810 BindingDB Entry DOI: 10.7270/Q29W0J4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50145768 (AVPIAQKSEK | CHEMBL414396) 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)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C47H83N13O15/c1-7-25(4)37(59-44(71)33-15-12-22-60(33)46(73)36(24(2)3)58-38(65)26(5)50)45(72)52-27(6)39(66)53-29(16-18-34(51)62)41(68)54-28(13-8-10-20-48)40(67)57-32(23-61)43(70)55-30(17-19-35(63)64)42(69)56-31(47(74)75)14-9-11-21-49/h24-33,36-37,61H,7-23,48-50H2,1-6H3,(H2,51,62)(H,52,72)(H,53,66)(H,54,68)(H,55,70)(H,56,69)(H,57,67)(H,58,65)(H,59,71)(H,63,64)(H,74,75)/t25-,26-,27-,28-,29-,30-,31-,32-,33+,36-,37-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a
University of Michigan Comprehensive Cancer Center Curated by ChEMBL					Assay Description Dissociation constant for XIAP BIR3 protein				J Med Chem 47: 2430-40 (2004) Article DOI: 10.1021/jm030420+ BindingDB Entry DOI: 10.7270/Q2Q81DT0
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50145767 (AVPIAQKSEK-FAM | CHEMBL404788) 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)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCNC(=O)c1c(cccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)ON1C(=O)CCC1=O)C(O)=O |wU:4.4,51.51,33.33,19.21,wD:15.16,8.7,57.57,42.42,66.66,28.29,2.2,(35.44,11.61,;35.01,12.77,;33.5,13.04,;32.71,12.09,;32.97,14.48,;33.96,15.67,;35.48,15.4,;35.9,14.24,;36.47,16.57,;36.09,18.05,;37.39,18.86,;38.57,17.88,;38,16.45,;38.8,15.14,;38.22,14.06,;40.34,15.19,;41.15,13.87,;42.69,13.92,;43.28,15,;43.5,12.61,;42.92,11.52,;44.73,12.64,;41.08,16.54,;42.31,16.57,;40.43,17.59,;31.45,14.75,;31.04,15.91,;30.46,13.58,;28.94,13.85,;28.52,15.01,;27.95,12.67,;28.37,11.51,;26.43,12.94,;25.44,11.76,;25.97,10.31,;27.48,10.04,;28.02,8.6,;27.22,7.65,;29.23,8.38,;23.93,12.03,;23.51,13.19,;22.93,10.85,;21.41,11.12,;20.89,12.57,;21.88,13.75,;21.36,15.2,;22.36,16.38,;21.94,17.53,;20.42,9.94,;20.84,8.78,;18.9,10.21,;17.91,9.03,;18.44,7.58,;19.65,7.37,;16.39,9.3,;15.97,10.46,;15.4,8.12,;13.89,8.39,;13.36,9.84,;14.36,11.02,;13.83,12.47,;12.62,12.69,;14.63,13.41,;12.89,7.22,;13.31,6.06,;11.37,7.49,;10.38,6.31,;8.86,6.57,;7.87,5.4,;6.36,5.67,;5.36,4.49,;3.85,4.76,;2.85,3.58,;3.27,2.43,;1.33,3.85,;1.33,5.39,;,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;,1.54,;1.31,.77,;2.67,1.54,;4,.77,;4,-.77,;5.06,-1.39,;2.67,-1.54,;1.31,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-5.07,-1.39,;-4,.77,;-2.67,1.54,;-1.33,.77,;2.67,6.16,;3.73,5.55,;2.67,7.7,;4,8.48,;5.38,7.84,;5.63,6.63,;6.41,8.99,;5.64,10.32,;4.14,10,;3.22,10.82,;10.9,4.86,;12.11,4.64,;10.11,3.92,)| Show InChI InChI=1S/C72H96N14O23/c1-7-36(4)60(84-67(101)50-18-13-31-85(50)70(104)59(35(2)3)83-61(95)37(5)74)69(103)77-38(6)62(96)78-46(23-25-53(75)90)64(98)79-45(16-8-10-29-73)63(97)82-49(34-87)66(100)80-47(24-28-56(93)94)65(99)81-48(71(105)106)17-9-11-30-76-68(102)58-43(14-12-15-44(58)72(107)109-86-54(91)26-27-55(86)92)57-41-21-19-39(88)32-51(41)108-52-33-40(89)20-22-42(52)57/h12,14-15,19-22,32-33,35-38,45-50,59-60,87-88H,7-11,13,16-18,23-31,34,73-74H2,1-6H3,(H2,75,90)(H,76,102)(H,77,103)(H,78,96)(H,79,98)(H,80,100)(H,81,99)(H,82,97)(H,83,95)(H,84,101)(H,93,94)(H,105,106)/t36-,37-,38-,45-,46-,47-,48-,49-,50-,59-,60-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a
University of Michigan Comprehensive Cancer Center Curated by ChEMBL					Assay Description Dissociation constant towards X-linked inhibitor of apoptosis (XIAP) BIR3 protein was determined				J Med Chem 47: 2430-40 (2004) Article DOI: 10.1021/jm030420+ BindingDB Entry DOI: 10.7270/Q2Q81DT0
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50465624 (CHEMBL4284639) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC1CCc2ccccc12 |r| Show InChI InChI=1S/C23H34N4O3/c1-14(2)20(26-21(28)15(3)24-4)23(30)27-13-7-10-19(27)22(29)25-18-12-11-16-8-5-6-9-17(16)18/h5-6,8-9,14-15,18-20,24H,7,10-13H2,1-4H3,(H,25,29)(H,26,28)/t15-,18?,19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	269	n/a	n/a	n/a	n/a	n/a
University of California Riverside Curated by ChEMBL					Assay Description Binding affinity to N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3) Gold by isotherma...				J Med Chem 61: 6350-6363 (2018) Article DOI: 10.1021/acs.jmedchem.8b00810 BindingDB Entry DOI: 10.7270/Q29W0J4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50465652 (CHEMBL4294581) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C27H34N6O6/c1-17(29-2)25(35)31-22(16-19-10-12-20(13-11-19)33(38)39)27(37)32-14-6-9-23(32)26(36)30-21(24(28)34)15-18-7-4-3-5-8-18/h3-5,7-8,10-13,17,21-23,29H,6,9,14-16H2,1-2H3,(H2,28,34)(H,30,36)(H,31,35)/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	n/a	280	n/a	n/a	n/a	n/a	n/a
University of California Riverside Curated by ChEMBL					Assay Description Binding affinity to N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3) Gold by isotherma...				J Med Chem 61: 6350-6363 (2018) Article DOI: 10.1021/acs.jmedchem.8b00810 BindingDB Entry DOI: 10.7270/Q29W0J4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50465648 (CHEMBL4291873) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(CP(O)(O)=O)cc1)C(=O)N1CCC[C@@H]1c1cncc(Cc2ccccc2)n1 |r| Show InChI InChI=1S/C29H36N5O5P/c1-20(30-2)28(35)33-25(16-22-10-12-23(13-11-22)19-40(37,38)39)29(36)34-14-6-9-27(34)26-18-31-17-24(32-26)15-21-7-4-3-5-8-21/h3-5,7-8,10-13,17-18,20,25,27,30H,6,9,14-16,19H2,1-2H3,(H,33,35)(H2,37,38,39)/t20-,25-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	321	n/a	n/a	n/a	n/a	n/a
University of California Riverside Curated by ChEMBL					Assay Description Binding affinity to N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3) Gold by isotherma...				J Med Chem 61: 6350-6363 (2018) Article DOI: 10.1021/acs.jmedchem.8b00810 BindingDB Entry DOI: 10.7270/Q29W0J4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50465622 (CHEMBL4291444) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)S(O)(=O)=O)C(=O)N1CCC[C@H]1C(=O)NC1Cc2ccccc2C1 |r| Show InChI InChI=1S/C27H34N4O6S/c1-17(28-2)25(32)30-23(14-18-9-11-22(12-10-18)38(35,36)37)27(34)31-13-5-8-24(31)26(33)29-21-15-19-6-3-4-7-20(19)16-21/h3-4,6-7,9-12,17,21,23-24,28H,5,8,13-16H2,1-2H3,(H,29,33)(H,30,32)(H,35,36,37)/t17-,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	n/a	337	n/a	n/a	n/a	n/a	n/a
University of California Riverside Curated by ChEMBL					Assay Description Binding affinity to N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3) Gold by isotherma...				J Med Chem 61: 6350-6363 (2018) Article DOI: 10.1021/acs.jmedchem.8b00810 BindingDB Entry DOI: 10.7270/Q29W0J4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50465635 (CHEMBL4286676) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(CS(O)(=O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C28H37N5O7S/c1-18(30-2)26(35)32-23(16-20-10-12-21(13-11-20)17-41(38,39)40)28(37)33-14-6-9-24(33)27(36)31-22(25(29)34)15-19-7-4-3-5-8-19/h3-5,7-8,10-13,18,22-24,30H,6,9,14-17H2,1-2H3,(H2,29,34)(H,31,36)(H,32,35)(H,38,39,40)/t18-,22-,23-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	346	n/a	n/a	n/a	n/a	n/a
University of California Riverside Curated by ChEMBL					Assay Description Binding affinity to N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3) Gold by isotherma...				J Med Chem 61: 6350-6363 (2018) Article DOI: 10.1021/acs.jmedchem.8b00810 BindingDB Entry DOI: 10.7270/Q29W0J4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50465637 (CHEMBL4279856) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C26H39N5O4/c1-17(28-2)24(33)30-22(19-12-7-4-8-13-19)26(35)31-15-9-14-21(31)25(34)29-20(23(27)32)16-18-10-5-3-6-11-18/h3,5-6,10-11,17,19-22,28H,4,7-9,12-16H2,1-2H3,(H2,27,32)(H,29,34)(H,30,33)/t17-,20-,21-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	354	n/a	n/a	n/a	n/a	n/a
University of California Riverside Curated by ChEMBL					Assay Description Binding affinity to N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3) Gold by isotherma...				J Med Chem 61: 6350-6363 (2018) Article DOI: 10.1021/acs.jmedchem.8b00810 BindingDB Entry DOI: 10.7270/Q29W0J4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50465633 (CHEMBL4280168) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C23H35N5O4/c1-14(2)19(27-21(30)15(3)25-4)23(32)28-12-8-11-18(28)22(31)26-17(20(24)29)13-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-19,25H,8,11-13H2,1-4H3,(H2,24,29)(H,26,31)(H,27,30)/t15-,17-,18-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	386	n/a	n/a	n/a	n/a	n/a
University of California Riverside Curated by ChEMBL					Assay Description Binding affinity to N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3) Gold by isotherma...				J Med Chem 61: 6350-6363 (2018) Article DOI: 10.1021/acs.jmedchem.8b00810 BindingDB Entry DOI: 10.7270/Q29W0J4S
					More data for this Ligand-Target Pair

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