Compile Data Set for Download or QSAR

Found 284 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 [241-356] (Homo sapiens (Human))	BDBM412171 ((3S)-2-[(2S)-3,3-dimethyl- 2-[[(2S)-2- (methylamin...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)CNC(=O)[C@]3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C62H81FN10O7/c1-38-32-71(48(30-65-38)34-70-24-25-80-36-39(70)2)35-55(75)73-37-62(7,50-23-18-42(27-52(50)73)26-41-16-20-46(63)21-17-41)60(79)66-31-54(74)67-47-22-19-44-29-53(58(77)68-51-15-11-13-43-12-9-10-14-49(43)51)72(33-45(44)28-47)59(78)56(61(4,5)6)69-57(76)40(3)64-8/h9-10,12,14,16-23,27-28,38-40,48,51,53,56,64-65H,11,13,15,24-26,29-37H2,1-8H3,(H,66,79)(H,67,74)(H,68,77)(H,69,76)/t38-,39-,40+,48-,51-,53+,56-,62-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description For the Bir3 assay, 13.3 nanomolar BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 25.2 nM of the peptide AVPIAQKSEK-(ε...				US Patent US10398702 (2019) BindingDB Entry DOI: 10.7270/Q2VH5R67
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM412164 (US10398702, Example 3 | tert-Butyl (2R,5S)-4-[2-[3...) Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C(=O)NCCNC(=O)C3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)c3ccc(Cc4ccc(F)cc4)cc23)[C@@H](CN2CCOC[C@H]2C)CN1 |r| Show InChI InChI=1S/C62H82F2N10O6/c1-41-31-71(51(29-67-41)33-69-21-23-79-37-43(69)3)35-57(75)73-39-61(5,53-17-11-47(27-55(53)73)25-45-7-13-49(63)14-8-45)59(77)65-19-20-66-60(78)62(6)40-74(56-28-48(12-18-54(56)62)26-46-9-15-50(64)16-10-46)58(76)36-72-32-42(2)68-30-52(72)34-70-22-24-80-38-44(70)4/h7-18,27-28,41-44,51-52,67-68H,19-26,29-40H2,1-6H3,(H,65,77)(H,66,78)/t41-,42-,43-,44-,51-,52-,61?,62?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description For the Bir3 assay, 13.3 nanomolar BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 25.2 nM of the peptide AVPIAQKSEK-(ε...				US Patent US10398702 (2019) BindingDB Entry DOI: 10.7270/Q2VH5R67
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM412166 ((3S)-2-((S)-3,3-dimethyl-2- ((S)-2- (methylamino)p...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)C3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)ccc2CC1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C60H78FN9O6/c1-37-31-68(47(30-63-37)33-67-24-25-76-35-38(67)2)34-53(71)70-36-60(7,49-23-18-41(27-51(49)70)26-40-16-20-45(61)21-17-40)58(75)64-46-22-19-43-29-52(56(73)65-50-15-11-13-42-12-9-10-14-48(42)50)69(32-44(43)28-46)57(74)54(59(4,5)6)66-55(72)39(3)62-8/h9-10,12,14,16-23,27-28,37-39,47,50,52,54,62-63H,11,13,15,24-26,29-36H2,1-8H3,(H,64,75)(H,65,73)(H,66,72)/t37-,38-,39+,47-,50-,52?,54-,60?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description For the Bir3 assay, 13.3 nanomolar BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 25.2 nM of the peptide AVPIAQKSEK-(ε...				US Patent US10398702 (2019) BindingDB Entry DOI: 10.7270/Q2VH5R67
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM412169 ((3S)-N-[2-[[(3S)-3-[(2,6- difluorophenyl)carbamoyl...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccc(NC(=O)CNC(=O)[C@]3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)cc2[C@H]1C(=O)Nc1c(F)cccc1F |r| Show InChI InChI=1S/C58H71F3N10O8/c1-34-28-69(43(26-63-34)30-68-19-22-79-32-35(68)2)31-50(73)71-33-58(4,45-16-11-38(24-48(45)71)23-37-9-13-41(59)14-10-37)57(77)64-27-49(72)65-42-15-12-40-29-70(53(44(40)25-42)55(75)67-52-46(60)7-6-8-47(52)61)56(76)51(39-17-20-78-21-18-39)66-54(74)36(3)62-5/h6-16,24-25,34-36,39,43,51,53,62-63H,17-23,26-33H2,1-5H3,(H,64,77)(H,65,72)(H,66,74)(H,67,75)/t34-,35-,36+,43-,51+,53+,58-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description For the Bir3 assay, 13.3 nanomolar BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 25.2 nM of the peptide AVPIAQKSEK-(ε...				US Patent US10398702 (2019) BindingDB Entry DOI: 10.7270/Q2VH5R67
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM412181 ((S)-N-(2-(((S)-3-((2,6- difluorophenyl)carbamoyl)-...) Show SMILES CN[C@@H](C)C(=O)N[C@@H]([C@@H](C)OC)C(=O)N1Cc2ccc(NC(=O)CNC(=O)[C@]3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)cc2[C@H]1C(=O)Nc1c(F)cccc1F |r| Show InChI InChI=1S/C56H69F3N10O8/c1-32-26-67(41(24-61-32)28-66-19-20-77-30-33(66)2)29-48(71)69-31-56(5,43-18-13-37(22-46(43)69)21-36-11-15-39(57)16-12-36)55(75)62-25-47(70)63-40-17-14-38-27-68(54(74)49(35(4)76-7)64-52(72)34(3)60-6)51(42(38)23-40)53(73)65-50-44(58)9-8-10-45(50)59/h8-18,22-23,32-35,41,49,51,60-61H,19-21,24-31H2,1-7H3,(H,62,75)(H,63,70)(H,64,72)(H,65,73)/t32-,33-,34+,35-,41-,49+,51+,56-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description For the Bir3 assay, 13.3 nanomolar BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 25.2 nM of the peptide AVPIAQKSEK-(ε...				US Patent US10398702 (2019) BindingDB Entry DOI: 10.7270/Q2VH5R67
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM412182 (US10398702, Example 21 | tert-Butyl (2R,5S)-4-[2-[...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1Cc2ccc(NC(=O)CNC(=O)[C@]3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)cc2[C@H]1C(=O)Nc1c(F)cccc1F |r| Show InChI InChI=1S/C57H71F3N10O7/c1-8-33(2)50(65-53(73)36(5)61-7)55(75)69-28-39-15-18-41(24-43(39)52(69)54(74)66-51-45(59)10-9-11-46(51)60)64-48(71)26-63-56(76)57(6)32-70(47-23-38(14-19-44(47)57)22-37-12-16-40(58)17-13-37)49(72)30-68-27-34(3)62-25-42(68)29-67-20-21-77-31-35(67)4/h9-19,23-24,33-36,42,50,52,61-62H,8,20-22,25-32H2,1-7H3,(H,63,76)(H,64,71)(H,65,73)(H,66,74)/t33-,34+,35+,36-,42+,50-,52-,57+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description For the Bir3 assay, 13.3 nanomolar BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 25.2 nM of the peptide AVPIAQKSEK-(ε...				US Patent US10398702 (2019) BindingDB Entry DOI: 10.7270/Q2VH5R67
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM412178 (US10398702, Example 17 | tert-Butyl N-[(1 S)-2-[[(...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccc(NC(=O)CCNC(=O)[C@]3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)cc2[C@H]1C(=O)Nc1c(F)cccc1F |r| Show InChI InChI=1S/C59H73F3N10O8/c1-35-29-70(44(28-65-35)31-69-21-24-80-33-36(69)2)32-51(74)72-34-59(4,46-16-11-39(26-49(46)72)25-38-9-13-42(60)14-10-38)58(78)64-20-17-50(73)66-43-15-12-41-30-71(54(45(41)27-43)56(76)68-53-47(61)7-6-8-48(53)62)57(77)52(40-18-22-79-23-19-40)67-55(75)37(3)63-5/h6-16,26-27,35-37,40,44,52,54,63,65H,17-25,28-34H2,1-5H3,(H,64,78)(H,66,73)(H,67,75)(H,68,76)/t35-,36-,37+,44-,52+,54+,59-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description For the Bir3 assay, 13.3 nanomolar BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 25.2 nM of the peptide AVPIAQKSEK-(ε...				US Patent US10398702 (2019) BindingDB Entry DOI: 10.7270/Q2VH5R67
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM412167 ((3S)-2-((S)-3,3-dimethyl- 2-((S)-2- (methylamino)p...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)CNC(=O)C3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C62H81FN10O7/c1-38-32-71(48(30-65-38)34-70-24-25-80-36-39(70)2)35-55(75)73-37-62(7,50-23-18-42(27-52(50)73)26-41-16-20-46(63)21-17-41)60(79)66-31-54(74)67-47-22-19-44-29-53(58(77)68-51-15-11-13-43-12-9-10-14-49(43)51)72(33-45(44)28-47)59(78)56(61(4,5)6)69-57(76)40(3)64-8/h9-10,12,14,16-23,27-28,38-40,48,51,53,56,64-65H,11,13,15,24-26,29-37H2,1-8H3,(H,66,79)(H,67,74)(H,68,77)(H,69,76)/t38-,39-,40+,48-,51-,53+,56-,62?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description For the Bir3 assay, 13.3 nanomolar BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 25.2 nM of the peptide AVPIAQKSEK-(ε...				US Patent US10398702 (2019) BindingDB Entry DOI: 10.7270/Q2VH5R67
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM412180 (US10398702, Example 19 | tert-Butyl (2R,5S)-4-[2-[...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2cc(NC(=O)CNC(=O)[C@]3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)ccc2[C@H]1C(=O)Nc1c(F)cccc1F |r| Show InChI InChI=1S/C58H71F3N10O8/c1-34-28-69(43(26-63-34)30-68-19-22-79-32-35(68)2)31-50(73)71-33-58(4,45-16-11-38(24-48(45)71)23-37-9-12-41(59)13-10-37)57(77)64-27-49(72)65-42-14-15-44-40(25-42)29-70(53(44)55(75)67-52-46(60)7-6-8-47(52)61)56(76)51(39-17-20-78-21-18-39)66-54(74)36(3)62-5/h6-16,24-25,34-36,39,43,51,53,62-63H,17-23,26-33H2,1-5H3,(H,64,77)(H,65,72)(H,66,74)(H,67,75)/t34-,35-,36+,43-,51+,53+,58-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description For the Bir3 assay, 13.3 nanomolar BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 25.2 nM of the peptide AVPIAQKSEK-(ε...				US Patent US10398702 (2019) BindingDB Entry DOI: 10.7270/Q2VH5R67
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM412176 (US10398702, Example 15 | tert-Butyl (2R,5S)-4-[2-[...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccc(NC(=O)[C@]3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)cc2[C@H]1C(=O)Nc1c(F)cccc1F |r| Show InChI InChI=1S/C56H68F3N9O7/c1-33-27-66(42(26-61-33)29-65-19-22-75-31-34(65)2)30-48(69)68-32-56(4,44-16-11-37(24-47(44)68)23-36-9-13-40(57)14-10-36)55(73)62-41-15-12-39-28-67(51(43(39)25-41)53(71)64-50-45(58)7-6-8-46(50)59)54(72)49(38-17-20-74-21-18-38)63-52(70)35(3)60-5/h6-16,24-25,33-35,38,42,49,51,60-61H,17-23,26-32H2,1-5H3,(H,62,73)(H,63,70)(H,64,71)/t33-,34-,35+,42-,49+,51+,56-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description For the Bir3 assay, 13.3 nanomolar BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 25.2 nM of the peptide AVPIAQKSEK-(ε...				US Patent US10398702 (2019) BindingDB Entry DOI: 10.7270/Q2VH5R67
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM412183 (US10398702, Example 22 | tert-Butyl (2R,5S)-4-[2-[...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccc(NC(=O)CNC(=O)[C@]3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)cc2[C@H]1C(=O)Nc1c(F)cccc1F)C(C)(C)C |r| Show InChI InChI=1S/C57H71F3N10O7/c1-33-27-68(41(25-62-33)29-67-20-21-77-31-34(67)2)30-48(72)70-32-57(7,43-19-14-37(23-46(43)70)22-36-12-16-39(58)17-13-36)55(76)63-26-47(71)64-40-18-15-38-28-69(54(75)51(56(4,5)6)66-52(73)35(3)61-8)50(42(38)24-40)53(74)65-49-44(59)10-9-11-45(49)60/h9-19,23-24,33-35,41,50-51,61-62H,20-22,25-32H2,1-8H3,(H,63,76)(H,64,71)(H,65,74)(H,66,73)/t33-,34-,35+,41-,50+,51-,57-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description For the Bir3 assay, 13.3 nanomolar BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 25.2 nM of the peptide AVPIAQKSEK-(ε...				US Patent US10398702 (2019) BindingDB Entry DOI: 10.7270/Q2VH5R67
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM412179 (US10398702, Example 18 | tert-Butyl (2R,5S)-4-[2-[...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccc(NC(=O)CCCNC(=O)[C@]3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)cc2[C@H]1C(=O)Nc1c(F)cccc1F |r| Show InChI InChI=1S/C60H75F3N10O8/c1-36-30-71(45(29-66-36)32-70-22-25-81-34-37(70)2)33-52(75)73-35-60(4,47-18-13-40(27-50(47)73)26-39-11-15-43(61)16-12-39)59(79)65-21-7-10-51(74)67-44-17-14-42-31-72(55(46(42)28-44)57(77)69-54-48(62)8-6-9-49(54)63)58(78)53(41-19-23-80-24-20-41)68-56(76)38(3)64-5/h6,8-9,11-18,27-28,36-38,41,45,53,55,64,66H,7,10,19-26,29-35H2,1-5H3,(H,65,79)(H,67,74)(H,68,76)(H,69,77)/t36-,37-,38+,45-,53+,55+,60-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description For the Bir3 assay, 13.3 nanomolar BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 25.2 nM of the peptide AVPIAQKSEK-(ε...				US Patent US10398702 (2019) BindingDB Entry DOI: 10.7270/Q2VH5R67
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM412162 (N-((S)-3-((2,6- difluorophenyl)carbamoyl)- 2-((S)-...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccc(NC(=O)C3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)cc2[C@H]1C(=O)Nc1c(F)cccc1F |r| Show InChI InChI=1S/C56H68F3N9O7/c1-33-27-66(42(26-61-33)29-65-19-22-75-31-34(65)2)30-48(69)68-32-56(4,44-16-11-37(24-47(44)68)23-36-9-13-40(57)14-10-36)55(73)62-41-15-12-39-28-67(51(43(39)25-41)53(71)64-50-45(58)7-6-8-46(50)59)54(72)49(38-17-20-74-21-18-38)63-52(70)35(3)60-5/h6-16,24-25,33-35,38,42,49,51,60-61H,17-23,26-32H2,1-5H3,(H,62,73)(H,63,70)(H,64,71)/t33-,34-,35+,42-,49+,51+,56?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description For the Bir3 assay, 13.3 nanomolar BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 25.2 nM of the peptide AVPIAQKSEK-(ε...				US Patent US10398702 (2019) BindingDB Entry DOI: 10.7270/Q2VH5R67
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM412165 (N-(4-(((S)-3-((2,6- difluorophenyl)carbamoyl)- 2-(...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccc(NC(=O)c3ccc(NC(=O)C4(C)CN(C(=O)CN5C[C@@H](C)NC[C@@H]5CN5CCOC[C@H]5C)c5cc(Cc6ccc(F)cc6)ccc45)cc3)cc2[C@H]1C(=O)Nc1c(F)cccc1F |r| Show InChI InChI=1S/C63H73F3N10O8/c1-37-31-74(48(30-68-37)33-73-23-26-84-35-38(73)2)34-54(77)76-36-63(4,50-20-11-41(28-53(50)76)27-40-9-15-45(64)16-10-40)62(82)70-46-17-12-43(13-18-46)59(79)69-47-19-14-44-32-75(57(49(44)29-47)60(80)72-56-51(65)7-6-8-52(56)66)61(81)55(42-21-24-83-25-22-42)71-58(78)39(3)67-5/h6-20,28-29,37-39,42,48,55,57,67-68H,21-27,30-36H2,1-5H3,(H,69,79)(H,70,82)(H,71,78)(H,72,80)/t37-,38-,39+,48-,55+,57+,63?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description For the Bir3 assay, 13.3 nanomolar BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 25.2 nM of the peptide AVPIAQKSEK-(ε...				US Patent US10398702 (2019) BindingDB Entry DOI: 10.7270/Q2VH5R67
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM412163 (N-(2-(((S)-3-((2,6- difluorophenyl)carbamoyl)- 2-(...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccc(NC(=O)CNC(=O)C3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)cc2[C@H]1C(=O)Nc1c(F)cccc1F |r| Show InChI InChI=1S/C58H71F3N10O8/c1-34-28-69(43(26-63-34)30-68-19-22-79-32-35(68)2)31-50(73)71-33-58(4,45-16-11-38(24-48(45)71)23-37-9-13-41(59)14-10-37)57(77)64-27-49(72)65-42-15-12-40-29-70(53(44(40)25-42)55(75)67-52-46(60)7-6-8-47(52)61)56(76)51(39-17-20-78-21-18-39)66-54(74)36(3)62-5/h6-16,24-25,34-36,39,43,51,53,62-63H,17-23,26-33H2,1-5H3,(H,64,77)(H,65,72)(H,66,74)(H,67,75)/t34-,35-,36+,43-,51+,53+,58?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description For the Bir3 assay, 13.3 nanomolar BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 25.2 nM of the peptide AVPIAQKSEK-(ε...				US Patent US10398702 (2019) BindingDB Entry DOI: 10.7270/Q2VH5R67
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM412173 ((R)-N-((S)-3-((2,6- difluorophenyl)carbamoyl)- 2-(...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccc(NC(=O)[C@@]3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)cc2[C@H]1C(=O)Nc1c(F)cccc1F |r| Show InChI InChI=1S/C56H68F3N9O7/c1-33-27-66(42(26-61-33)29-65-19-22-75-31-34(65)2)30-48(69)68-32-56(4,44-16-11-37(24-47(44)68)23-36-9-13-40(57)14-10-36)55(73)62-41-15-12-39-28-67(51(43(39)25-41)53(71)64-50-45(58)7-6-8-46(50)59)54(72)49(38-17-20-74-21-18-38)63-52(70)35(3)60-5/h6-16,24-25,33-35,38,42,49,51,60-61H,17-23,26-32H2,1-5H3,(H,62,73)(H,63,70)(H,64,71)/t33-,34-,35+,42-,49+,51+,56+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description For the Bir3 assay, 13.3 nanomolar BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 25.2 nM of the peptide AVPIAQKSEK-(ε...				US Patent US10398702 (2019) BindingDB Entry DOI: 10.7270/Q2VH5R67
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM412172 ((3S)-2-[(2S)-3,3-dimethyl-2- [[(2S)-2- (methylamin...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)CNC(=O)[C@@]3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C62H81FN10O7/c1-38-32-71(48(30-65-38)34-70-24-25-80-36-39(70)2)35-55(75)73-37-62(7,50-23-18-42(27-52(50)73)26-41-16-20-46(63)21-17-41)60(79)66-31-54(74)67-47-22-19-44-29-53(58(77)68-51-15-11-13-43-12-9-10-14-49(43)51)72(33-45(44)28-47)59(78)56(61(4,5)6)69-57(76)40(3)64-8/h9-10,12,14,16-23,27-28,38-40,48,51,53,56,64-65H,11,13,15,24-26,29-37H2,1-8H3,(H,66,79)(H,67,74)(H,68,77)(H,69,76)/t38-,39-,40+,48-,51-,53+,56-,62+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description For the Bir3 assay, 13.3 nanomolar BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 25.2 nM of the peptide AVPIAQKSEK-(ε...				US Patent US10398702 (2019) BindingDB Entry DOI: 10.7270/Q2VH5R67
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM412175 (N-(2-(4-fluoro-3-((S)-2-((S)- 2-((S)-2- (methylami...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1cc(ccc1F)C(=O)NCCNC(=O)C1(C)CN(C(=O)CN2C[C@@H](C)NC[C@@H]2CN2CCOC[C@H]2C)c2cc(Cc3ccc(F)cc3)ccc12 |r| Show InChI InChI=1S/C59H74F2N10O8/c1-36-30-69(45(29-65-36)32-68-22-25-79-34-37(68)2)33-51(72)71-35-59(4,47-16-12-40(27-50(47)71)26-39-10-14-44(60)15-11-39)58(77)64-21-20-63-55(74)42-13-17-48(61)49(28-42)66-56(75)53-46-9-7-6-8-43(46)31-70(53)57(76)52(41-18-23-78-24-19-41)67-54(73)38(3)62-5/h6-17,27-28,36-38,41,45,52-53,62,65H,18-26,29-35H2,1-5H3,(H,63,74)(H,64,77)(H,66,75)(H,67,73)/t36-,37-,38+,45-,52+,53+,59?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description For the Bir3 assay, 13.3 nanomolar BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 25.2 nM of the peptide AVPIAQKSEK-(ε...				US Patent US10398702 (2019) BindingDB Entry DOI: 10.7270/Q2VH5R67
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM412168 (N1-((S)-3-((2,6- difluorophenyl)carbamoyl)-2- ((S)...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccc(NC(=O)CC(=O)NCCCC3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)cc2[C@H]1C(=O)Nc1c(F)cccc1F |r| Show InChI InChI=1S/C61H77F3N10O8/c1-37-31-72(46(30-67-37)33-71-22-25-82-35-38(71)2)34-54(77)74-36-61(4,48-17-12-41(27-51(48)74)26-40-10-14-44(62)15-11-40)20-7-21-66-52(75)29-53(76)68-45-16-13-43-32-73(57(47(43)28-45)59(79)70-56-49(63)8-6-9-50(56)64)60(80)55(42-18-23-81-24-19-42)69-58(78)39(3)65-5/h6,8-17,27-28,37-39,42,46,55,57,65,67H,7,18-26,29-36H2,1-5H3,(H,66,75)(H,68,76)(H,69,78)(H,70,79)/t37-,38-,39+,46-,55+,57+,61?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description For the Bir3 assay, 13.3 nanomolar BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 25.2 nM of the peptide AVPIAQKSEK-(ε...				US Patent US10398702 (2019) BindingDB Entry DOI: 10.7270/Q2VH5R67
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM412174 (US10398702, Example 13 | tert-Butyl (2R,5S)-4-[2-[...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2cc(NC(=O)CNC(=O)C3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)ccc2C[C@H]1C(=O)Nc1c(F)cccc1F |r| Show InChI InChI=1S/C59H73F3N10O8/c1-35-29-70(45(27-64-35)31-69-19-22-80-33-36(69)2)32-52(74)72-34-59(4,46-16-11-39(24-49(46)72)23-38-9-13-43(60)14-10-38)58(78)65-28-51(73)66-44-15-12-41-26-50(56(76)68-54-47(61)7-6-8-48(54)62)71(30-42(41)25-44)57(77)53(40-17-20-79-21-18-40)67-55(75)37(3)63-5/h6-16,24-25,35-37,40,45,50,53,63-64H,17-23,26-34H2,1-5H3,(H,65,78)(H,66,73)(H,67,75)(H,68,76)/t35-,36-,37+,45-,50+,53+,59?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description For the Bir3 assay, 13.3 nanomolar BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 25.2 nM of the peptide AVPIAQKSEK-(ε...				US Patent US10398702 (2019) BindingDB Entry DOI: 10.7270/Q2VH5R67
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM412187 (4-(6-(4-fluorobenzyl)-3- methyl-1-(2-((2R,5R)-5- m...) Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C(=O)Nc3ccc(cc3)C(O)=O)c3ccc(Cc4ccc(F)cc4)cc23)[C@@H](CN2CCOC[C@H]2C)CN1 |r| Show InChI InChI=1S/C37H44FN5O5/c1-24-19-42(31(18-39-24)20-41-14-15-48-22-25(41)2)21-34(44)43-23-37(3,36(47)40-30-11-7-28(8-12-30)35(45)46)32-13-6-27(17-33(32)43)16-26-4-9-29(38)10-5-26/h4-13,17,24-25,31,39H,14-16,18-23H2,1-3H3,(H,40,47)(H,45,46)/t24-,25-,31-,37?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description For the Bir3 assay, 13.3 nanomolar BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 25.2 nM of the peptide AVPIAQKSEK-(ε...				US Patent US10398702 (2019) BindingDB Entry DOI: 10.7270/Q2VH5R67
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM412177 (N-(4-(4-fluoro-3-((S)-2-((S)- 2-((S)-2- (methylami...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(NC(=O)C2(C)CN(C(=O)CN3C[C@@H](C)NC[C@@H]3CN3CCOC[C@H]3C)c3cc(Cc4ccc(F)cc4)ccc23)cc1 |r| Show InChI InChI=1S/C63H74F2N10O8/c1-38-32-73(49(31-67-38)34-72-24-27-83-36-39(72)2)35-55(76)75-37-63(4,51-20-12-42(29-54(51)75)28-41-10-14-46(64)15-11-41)62(81)69-48-18-16-47(17-19-48)68-59(78)44-13-21-52(65)53(30-44)70-60(79)57-50-9-7-6-8-45(50)33-74(57)61(80)56(43-22-25-82-26-23-43)71-58(77)40(3)66-5/h6-21,29-30,38-40,43,49,56-57,66-67H,22-28,31-37H2,1-5H3,(H,68,78)(H,69,81)(H,70,79)(H,71,77)/t38-,39-,40+,49-,56+,57+,63?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description For the Bir3 assay, 13.3 nanomolar BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 25.2 nM of the peptide AVPIAQKSEK-(ε...				US Patent US10398702 (2019) BindingDB Entry DOI: 10.7270/Q2VH5R67
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM412186 (1-(6-(4-fluorobenzyl)-3- (hydroxymethyl)-3- methyl...) Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(CO)c3ccc(Cc4ccc(F)cc4)cc23)[C@@H](CN2CCOC[C@H]2C)CN1 |r| Show InChI InChI=1S/C30H41FN4O3/c1-21-15-34(26(14-32-21)16-33-10-11-38-18-22(33)2)17-29(37)35-19-30(3,20-36)27-9-6-24(13-28(27)35)12-23-4-7-25(31)8-5-23/h4-9,13,21-22,26,32,36H,10-12,14-20H2,1-3H3/t21-,22-,26-,30?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description For the Bir3 assay, 13.3 nanomolar BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 25.2 nM of the peptide AVPIAQKSEK-(ε...				US Patent US10398702 (2019) BindingDB Entry DOI: 10.7270/Q2VH5R67
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM412184 (N-(2-aminoethyl)-6-(4- fluorobenzyl)-3-methyl-1- (...) Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C(=O)NCCN)c3ccc(Cc4ccc(F)cc4)cc23)[C@@H](CN2CCOC[C@H]2C)CN1 |r| Show InChI InChI=1S/C32H45FN6O3/c1-22-17-38(27(16-36-22)18-37-12-13-42-20-23(37)2)19-30(40)39-21-32(3,31(41)35-11-10-34)28-9-6-25(15-29(28)39)14-24-4-7-26(33)8-5-24/h4-9,15,22-23,27,36H,10-14,16-21,34H2,1-3H3,(H,35,41)/t22-,23-,27-,32?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description For the Bir3 assay, 13.3 nanomolar BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 25.2 nM of the peptide AVPIAQKSEK-(ε...				US Patent US10398702 (2019) BindingDB Entry DOI: 10.7270/Q2VH5R67
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM412188 (2-(6-(4-fluorobenzyl)-3- methyl-1-(2-((2R,5R)-5- m...) Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C(=O)NCC(O)=O)c3ccc(Cc4ccc(F)cc4)cc23)[C@@H](CN2CCOC[C@H]2C)CN1 |r| Show InChI InChI=1S/C32H42FN5O5/c1-21-16-37(26(14-34-21)17-36-10-11-43-19-22(36)2)18-29(39)38-20-32(3,31(42)35-15-30(40)41)27-9-6-24(13-28(27)38)12-23-4-7-25(33)8-5-23/h4-9,13,21-22,26,34H,10-12,14-20H2,1-3H3,(H,35,42)(H,40,41)/t21-,22-,26-,32?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description For the Bir3 assay, 13.3 nanomolar BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 25.2 nM of the peptide AVPIAQKSEK-(ε...				US Patent US10398702 (2019) BindingDB Entry DOI: 10.7270/Q2VH5R67
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM412185 ((S)-6-(4-fluorobenzyl)-3- methyl-1-(2-((2R,5R)-5- ...) Show SMILES C[C@@H]1CN(CC(=O)N2C[C@@](C)(C(O)=O)c3ccc(Cc4ccc(F)cc4)cc23)[C@@H](CN2CCOC[C@H]2C)CN1 |r| Show InChI InChI=1S/C30H39FN4O4/c1-20-15-34(25(14-32-20)16-33-10-11-39-18-21(33)2)17-28(36)35-19-30(3,29(37)38)26-9-6-23(13-27(26)35)12-22-4-7-24(31)8-5-22/h4-9,13,20-21,25,32H,10-12,14-19H2,1-3H3,(H,37,38)/t20-,21-,25-,30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description For the Bir3 assay, 13.3 nanomolar BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 25.2 nM of the peptide AVPIAQKSEK-(ε...				US Patent US10398702 (2019) BindingDB Entry DOI: 10.7270/Q2VH5R67
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM412170 ((3R)-N-[2-[[(3S)-3-[(2,6- difluorophenyl)carbamoyl...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccc(NC(=O)CNC(=O)[C@@]3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)cc2[C@H]1C(=O)Nc1c(F)cccc1F |r| Show InChI InChI=1S/C58H71F3N10O8/c1-34-28-69(43(26-63-34)30-68-19-22-79-32-35(68)2)31-50(73)71-33-58(4,45-16-11-38(24-48(45)71)23-37-9-13-41(59)14-10-37)57(77)64-27-49(72)65-42-15-12-40-29-70(53(44(40)25-42)55(75)67-52-46(60)7-6-8-47(52)61)56(76)51(39-17-20-78-21-18-39)66-54(74)36(3)62-5/h6-16,24-25,34-36,39,43,51,53,62-63H,17-23,26-33H2,1-5H3,(H,64,77)(H,65,72)(H,66,74)(H,67,75)/t34-,35-,36+,43-,51+,53+,58+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description For the Bir3 assay, 13.3 nanomolar BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 25.2 nM of the peptide AVPIAQKSEK-(ε...				US Patent US10398702 (2019) BindingDB Entry DOI: 10.7270/Q2VH5R67
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM243099 ((S)—N—((S)-5-(4-Acetylbenzoyl)-1-((6-bro...) Show SMILES CCC(NC)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O |r| Show InChI InChI=1S/C35H35BrN4O5/c1-5-28(37-3)33(42)38-29-20-40(34(43)23-12-10-22(11-13-23)21(2)41)31-9-7-6-8-30(31)39(35(29)44)19-27-26-16-15-25(36)18-24(26)14-17-32(27)45-4/h6-18,28-29,37H,5,19-20H2,1-4H3,(H,38,42)/t28?,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.48E+3	n/a	n/a	n/a	n/a	7.5	25
Hoffmann-La Roche Inc. US Patent					Assay Description Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...				US Patent US10053431 (2018) BindingDB Entry DOI: 10.7270/Q2W097X3
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM242616 ((S)—N—((S)-5-(4-acetylbenzoyl)-1-(2-(nap...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(CCc2cccc3ccccc23)C1=O |r| Show InChI InChI=1S/C34H34N4O4/c1-22(35-3)32(40)36-29-21-38(33(41)27-17-15-24(16-18-27)23(2)39)31-14-7-6-13-30(31)37(34(29)42)20-19-26-11-8-10-25-9-4-5-12-28(25)26/h4-18,22,29,35H,19-21H2,1-3H3,(H,36,40)/t22-,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.42E+3	n/a	n/a	n/a	n/a	7.5	25
Hoffmann-La Roche Inc. US Patent					Assay Description Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...				US Patent US10053431 (2018) BindingDB Entry DOI: 10.7270/Q2W097X3
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM242655 ((S)-N-((S)-1-((5-bromo-2- methoxynaphthalen-1-yl)m...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(F)cc2)c2cc(ccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O)C#N |r| Show InChI InChI=1S/C33H29BrFN5O4/c1-19(37-2)31(41)38-27-18-40(32(42)21-8-10-22(35)11-9-21)29-15-20(16-36)7-13-28(29)39(33(27)43)17-25-23-5-4-6-26(34)24(23)12-14-30(25)44-3/h4-15,19,27,37H,17-18H2,1-3H3,(H,38,41)/t19-,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	7.5	25
Hoffmann-La Roche Inc. US Patent					Assay Description Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...				US Patent US10053431 (2018) BindingDB Entry DOI: 10.7270/Q2W097X3
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM242603 ((S)-N-((S)-5-(4-aminobenzoyl)-1-((6- bromo-2-metho...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(N)cc2)c2cc(Cl)ccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O |r| Show InChI InChI=1S/C32H31BrClN5O4/c1-18(36-2)30(40)37-26-17-39(31(41)19-4-9-23(35)10-5-19)28-15-22(34)8-12-27(28)38(32(26)42)16-25-24-11-7-21(33)14-20(24)6-13-29(25)43-3/h4-15,18,26,36H,16-17,35H2,1-3H3,(H,37,40)/t18-,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.31E+4	n/a	n/a	n/a	n/a	7.5	25
Hoffmann-La Roche Inc. US Patent					Assay Description Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...				US Patent US10053431 (2018) BindingDB Entry DOI: 10.7270/Q2W097X3
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM238898 (US10053431, 96h) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)Cc2cccnc2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O |r| Show InChI InChI=1S/C32H33N5O3/c1-21-14-15-24-10-4-5-11-25(24)26(21)19-37-29-13-7-6-12-28(29)36(30(38)17-23-9-8-16-34-18-23)20-27(32(37)40)35-31(39)22(2)33-3/h4-16,18,22,27,33H,17,19-20H2,1-3H3,(H,35,39)/t22-,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a	7.5	25
Hoffmann-La Roche Inc. US Patent					Assay Description Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...				US Patent US10053431 (2018) BindingDB Entry DOI: 10.7270/Q2W097X3
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM243125 ((S)-N-[(S)-1-(5-Bromo-2-methoxy-naphthalen-1-ylmet...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(F)cc2)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O |r| Show InChI InChI=1S/C32H30BrFN4O4/c1-19(35-2)30(39)36-26-18-38(31(40)20-11-13-21(34)14-12-20)28-10-5-4-9-27(28)37(32(26)41)17-24-22-7-6-8-25(33)23(22)15-16-29(24)42-3/h4-16,19,26,35H,17-18H2,1-3H3,(H,36,39)/t19-,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.38E+4	n/a	n/a	n/a	n/a	7.5	25
Hoffmann-La Roche Inc. US Patent					Assay Description Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...				US Patent US10053431 (2018) BindingDB Entry DOI: 10.7270/Q2W097X3
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM243128 ((S)-N-((S)-1-((3-cyclopropylquinolin-4- yl)methyl)...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)C2CCOCC2)c2cc(ccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O)C(F)(F)F |r| Show InChI InChI=1S/C33H36F3N5O4/c1-19(37-2)30(42)39-27-18-41(31(43)21-11-13-45-14-12-21)29-15-22(33(34,35)36)9-10-28(29)40(32(27)44)17-25-23-5-3-4-6-26(23)38-16-24(25)20-7-8-20/h3-6,9-10,15-16,19-21,27,37H,7-8,11-14,17-18H2,1-2H3,(H,39,42)/t19-,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.52E+4	n/a	n/a	n/a	n/a	7.5	25
Hoffmann-La Roche Inc. US Patent					Assay Description Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...				US Patent US10053431 (2018) BindingDB Entry DOI: 10.7270/Q2W097X3
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM242604 ((S)—N—[(S)-5-(Adamantane-1-carbonyl)-1-(...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O |r,TLB:21:12:19:15.16.17,10:12:15:19.18.17,10:12:19:15.16.17,THB:21:16:19:12.20.13,20:12:15:19.18.17,20:18:15:12.21.13| Show InChI InChI=1S/C36H41BrN4O4/c1-21(38-2)33(42)39-29-20-41(35(44)36-16-22-12-23(17-36)14-24(13-22)18-36)31-7-5-4-6-30(31)40(34(29)43)19-28-27-10-9-26(37)15-25(27)8-11-32(28)45-3/h4-11,15,21-24,29,38H,12-14,16-20H2,1-3H3,(H,39,42)/t21-,22?,23?,24?,29-,36?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.59E+4	n/a	n/a	n/a	n/a	7.5	25
Hoffmann-La Roche Inc. US Patent					Assay Description Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...				US Patent US10053431 (2018) BindingDB Entry DOI: 10.7270/Q2W097X3
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM242644 (Cyclic-5-[(S)-5-(5-amino-pentanoyl)-3-((S)-2-methy...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN2c3ccccc3N(Cc3c(OC)ccc4cc(ccc34)C(=O)NCCCCC2=O)C1=O |r| Show InChI InChI=1S/C31H35N5O5/c1-19(32-2)29(38)34-24-18-35-25-8-4-5-9-26(25)36(31(24)40)17-23-22-13-11-21(16-20(22)12-14-27(23)41-3)30(39)33-15-7-6-10-28(35)37/h4-5,8-9,11-14,16,19,24,32H,6-7,10,15,17-18H2,1-3H3,(H,33,39)(H,34,38)/t19-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	7.5	25
Hoffmann-La Roche Inc. US Patent					Assay Description Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...				US Patent US10053431 (2018) BindingDB Entry DOI: 10.7270/Q2W097X3
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM243116 ((2S)-N-[(3S)-1-(4-aminobenzoyl)-5-[[2- (2-fluoroet...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(N)cc2)c2ccccc2N(Cc2c(OCCF)ccc3ccccc23)C1=O |r| Show InChI InChI=1S/C33H34FN5O4/c1-21(36-2)31(40)37-27-20-39(32(41)23-11-14-24(35)15-12-23)29-10-6-5-9-28(29)38(33(27)42)19-26-25-8-4-3-7-22(25)13-16-30(26)43-18-17-34/h3-16,21,27,36H,17-20,35H2,1-2H3,(H,37,40)/t21-,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.61E+4	n/a	n/a	n/a	n/a	7.5	25
Hoffmann-La Roche Inc. US Patent					Assay Description Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...				US Patent US10053431 (2018) BindingDB Entry DOI: 10.7270/Q2W097X3
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM242641 ((S)-N-((S)-1-((5-bromo-2- methoxynaphthalen-1-yl)m...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C#N)c2cc(ccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O)C#N |r| Show InChI InChI=1S/C34H29BrN6O4/c1-20(38-2)32(42)39-28-19-41(33(43)23-10-7-21(16-36)8-11-23)30-15-22(17-37)9-13-29(30)40(34(28)44)18-26-24-5-4-6-27(35)25(24)12-14-31(26)45-3/h4-15,20,28,38H,18-19H2,1-3H3,(H,39,42)/t20-,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/a	7.5	25
Hoffmann-La Roche Inc. US Patent					Assay Description Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...				US Patent US10053431 (2018) BindingDB Entry DOI: 10.7270/Q2W097X3
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM243122 ((S)-N-((S)-7-cyano-1-((3- cyclopropylquinolin-4-yl...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccncc2)c2cc(ccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O)C#N |r| Show InChI InChI=1S/C33H31N7O3/c1-20(35-2)31(41)38-28-19-40(32(42)23-11-13-36-14-12-23)30-15-21(16-34)7-10-29(30)39(33(28)43)18-26-24-5-3-4-6-27(24)37-17-25(26)22-8-9-22/h3-7,10-15,17,20,22,28,35H,8-9,18-19H2,1-2H3,(H,38,41)/t20-,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/a	7.5	25
Hoffmann-La Roche Inc. US Patent					Assay Description Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...				US Patent US10053431 (2018) BindingDB Entry DOI: 10.7270/Q2W097X3
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM242615 ((S)-N-((S)-1-((6-bromo-2- methoxynaphthalen-1-yl)m...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(F)cc2)c2cc(Cl)ccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O |r| Show InChI InChI=1S/C32H29BrClFN4O4/c1-18(36-2)30(40)37-26-17-39(31(41)19-4-9-23(35)10-5-19)28-15-22(34)8-12-27(28)38(32(26)42)16-25-24-11-7-21(33)14-20(24)6-13-29(25)43-3/h4-15,18,26,36H,16-17H2,1-3H3,(H,37,40)/t18-,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.64E+4	n/a	n/a	n/a	n/a	7.5	25
Hoffmann-La Roche Inc. US Patent					Assay Description Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...				US Patent US10053431 (2018) BindingDB Entry DOI: 10.7270/Q2W097X3
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM243120 ((S)-N-((S)-7-cyano-1-((3- cyclopropylquinolin-4-yl...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)C2CCOCC2)c2cc(ccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O)C#N |r| Show InChI InChI=1S/C33H36N6O4/c1-20(35-2)31(40)37-28-19-39(32(41)23-11-13-43-14-12-23)30-15-21(16-34)7-10-29(30)38(33(28)42)18-26-24-5-3-4-6-27(24)36-17-25(26)22-8-9-22/h3-7,10,15,17,20,22-23,28,35H,8-9,11-14,18-19H2,1-2H3,(H,37,40)/t20-,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.65E+4	n/a	n/a	n/a	n/a	7.5	25
Hoffmann-La Roche Inc. US Patent					Assay Description Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...				US Patent US10053431 (2018) BindingDB Entry DOI: 10.7270/Q2W097X3
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (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 UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	7.5	25
Hoffmann-La Roche Inc. US Patent					Assay Description Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...				US Patent US10053431 (2018) BindingDB Entry DOI: 10.7270/Q2W097X3
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM243097 ((S)—N—((S)-1-((6-Bromo-2-methoxynaphthal...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(Cc2ccc(cc2)C#N)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O |r| Show InChI InChI=1S/C33H32BrN5O3/c1-21(36-2)32(40)37-28-20-38(18-23-10-8-22(17-35)9-11-23)29-6-4-5-7-30(29)39(33(28)41)19-27-26-14-13-25(34)16-24(26)12-15-31(27)42-3/h4-16,21,28,36H,18-20H2,1-3H3,(H,37,40)/t21-,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.71E+4	n/a	n/a	n/a	n/a	7.5	25
Hoffmann-La Roche Inc. US Patent					Assay Description Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...				US Patent US10053431 (2018) BindingDB Entry DOI: 10.7270/Q2W097X3
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM242624 (5-[[(3S)-1-(4-acetylbenzoyl)-3-[[(2S)-2-(methylami...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(O)=O)C1=O |r| Show InChI InChI=1S/C35H34N4O7/c1-20(36-3)32(41)37-28-19-39(33(42)23-11-9-22(10-12-23)21(2)40)30-8-6-5-7-29(30)38(34(28)43)18-27-26-15-13-25(35(44)45)17-24(26)14-16-31(27)46-4/h5-17,20,28,36H,18-19H2,1-4H3,(H,37,41)(H,44,45)/t20-,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.74E+4	n/a	n/a	n/a	n/a	7.5	25
Hoffmann-La Roche Inc. US Patent					Assay Description Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...				US Patent US10053431 (2018) BindingDB Entry DOI: 10.7270/Q2W097X3
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM243110 ((S)-N-((S)-1-((5-bromo-2- methoxynaphthalen-1-yl)m...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2ccc(cc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O)C#N |r| Show InChI InChI=1S/C29H30BrN5O6S/c1-17(32-2)28(37)33-23-15-34(27(36)16-42(4,39)40)24-10-8-18(13-31)12-25(24)35(29(23)38)14-21-19-6-5-7-22(30)20(19)9-11-26(21)41-3/h5-12,17,23,32H,14-16H2,1-4H3,(H,33,37)/t17-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.76E+4	n/a	n/a	n/a	n/a	7.5	25
Hoffmann-La Roche Inc. US Patent					Assay Description Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...				US Patent US10053431 (2018) BindingDB Entry DOI: 10.7270/Q2W097X3
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM50441818 (CHEMBL2436213 | US10053431, 75d) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)C2CCOCC2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O |r| Show InChI InChI=1S/C31H35BrN4O5/c1-19(33-2)29(37)34-25-18-36(30(38)20-12-14-41-15-13-20)27-7-5-4-6-26(27)35(31(25)39)17-24-23-10-9-22(32)16-21(23)8-11-28(24)40-3/h4-11,16,19-20,25,33H,12-15,17-18H2,1-3H3,(H,34,37)/t19-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.82E+4	n/a	n/a	n/a	n/a	7.5	25
Hoffmann-La Roche Inc. US Patent					Assay Description Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...				US Patent US10053431 (2018) BindingDB Entry DOI: 10.7270/Q2W097X3
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM242636 (5-(((S)-5-(4-aminobutanoyl)-3-((S)-2-(methylamino)...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCN)c2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(O)=O)C1=O |r| Show InChI InChI=1S/C30H35N5O6/c1-18(32-2)28(37)33-23-17-34(27(36)9-6-14-31)24-7-4-5-8-25(24)35(29(23)38)16-22-21-12-10-20(30(39)40)15-19(21)11-13-26(22)41-3/h4-5,7-8,10-13,15,18,23,32H,6,9,14,16-17,31H2,1-3H3,(H,33,37)(H,39,40)/t18-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.85E+4	n/a	n/a	n/a	n/a	7.5	25
Hoffmann-La Roche Inc. US Patent					Assay Description Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...				US Patent US10053431 (2018) BindingDB Entry DOI: 10.7270/Q2W097X3
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM242642 (5-(((S)-5-(5-aminopentanoyl)-3-((S)-2-(methylamino...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCCN)c2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(O)=O)C1=O |r| Show InChI InChI=1S/C31H37N5O6/c1-19(33-2)29(38)34-24-18-35(28(37)10-6-7-15-32)25-8-4-5-9-26(25)36(30(24)39)17-23-22-13-11-21(31(40)41)16-20(22)12-14-27(23)42-3/h4-5,8-9,11-14,16,19,24,33H,6-7,10,15,17-18,32H2,1-3H3,(H,34,38)(H,40,41)/t19-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.86E+4	n/a	n/a	n/a	n/a	7.5	25
Hoffmann-La Roche Inc. US Patent					Assay Description Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...				US Patent US10053431 (2018) BindingDB Entry DOI: 10.7270/Q2W097X3
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM242601 ((S)-N-((S)-5-(4-aminobenzoyl)-1-((5- bromo-2-metho...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(N)cc2)c2cc(Cl)ccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O |r| Show InChI InChI=1S/C32H31BrClN5O4/c1-18(36-2)30(40)37-26-17-39(31(41)19-7-10-21(35)11-8-19)28-15-20(34)9-13-27(28)38(32(26)42)16-24-22-5-4-6-25(33)23(22)12-14-29(24)43-3/h4-15,18,26,36H,16-17,35H2,1-3H3,(H,37,40)/t18-,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.87E+4	n/a	n/a	n/a	n/a	7.5	25
Hoffmann-La Roche Inc. US Patent					Assay Description Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...				US Patent US10053431 (2018) BindingDB Entry DOI: 10.7270/Q2W097X3
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM242652 (Cyclic-5-[(S)-5-(3-amino-propyl)-3-((S)-2-methylam...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN2CCCNC(=O)c3ccc4c(CN(c5ccccc25)C1=O)c(OC)ccc4c3 |r| Show InChI InChI=1S/C29H33N5O4/c1-18(30-2)27(35)32-23-17-33-14-6-13-31-28(36)20-9-11-21-19(15-20)10-12-26(38-3)22(21)16-34(29(23)37)25-8-5-4-7-24(25)33/h4-5,7-12,15,18,23,30H,6,13-14,16-17H2,1-3H3,(H,31,36)(H,32,35)/t18-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	7.5	25
Hoffmann-La Roche Inc. US Patent					Assay Description Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...				US Patent US10053431 (2018) BindingDB Entry DOI: 10.7270/Q2W097X3
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 284 total )  |  Next  |  Last  >>

Jump to: