Compile Data Set for Download or QSAR

Found 54 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 [124-214,C202A,C213G] (Artificial Organism)	BDBM242783 (US9422331, 1) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O |r| Show InChI InChI=1S/C35H35BrN4O5/c1-20(37-4)33(42)38-32-21(2)40(34(43)24-15-13-23(14-16-24)22(3)41)30-12-7-6-11-29(30)39(35(32)44)19-27-25-9-8-10-28(36)26(25)17-18-31(27)45-5/h6-18,20-21,32,37H,19H2,1-5H3,(H,38,42)/t20-,21-,32-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242789 (US9422331, 7) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)C2CCOCC2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O |r| Show InChI InChI=1S/C32H37BrN4O5/c1-19(34-3)30(38)35-29-20(2)37(31(39)21-13-15-42-16-14-21)27-8-6-5-7-26(27)36(32(29)40)18-25-24-11-10-23(33)17-22(24)9-12-28(25)41-4/h5-12,17,19-21,29,34H,13-16,18H2,1-4H3,(H,35,38)/t19-,20-,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242790 (US9422331, 8) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)C2CCOCC2)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O |r| Show InChI InChI=1S/C32H37BrN4O5/c1-19(34-3)30(38)35-29-20(2)37(31(39)21-14-16-42-17-15-21)27-11-6-5-10-26(27)36(32(29)40)18-24-22-8-7-9-25(33)23(22)12-13-28(24)41-4/h5-13,19-21,29,34H,14-18H2,1-4H3,(H,35,38)/t19-,20-,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242784 (US9422331, 2) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O |r| Show InChI InChI=1S/C35H35BrN4O5/c1-20(37-4)33(42)38-32-21(2)40(34(43)24-12-10-23(11-13-24)22(3)41)30-9-7-6-8-29(30)39(35(32)44)19-28-27-16-15-26(36)18-25(27)14-17-31(28)45-5/h6-18,20-21,32,37H,19H2,1-5H3,(H,38,42)/t20-,21-,32-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242787 (US9422331, 5) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)c2ccc(cc2)C#N)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O |r| Show InChI InChI=1S/C34H32BrN5O4/c1-20(37-3)32(41)38-31-21(2)40(33(42)23-11-9-22(18-36)10-12-23)29-8-6-5-7-28(29)39(34(31)43)19-27-26-15-14-25(35)17-24(26)13-16-30(27)44-4/h5-17,20-21,31,37H,19H2,1-4H3,(H,38,41)/t20-,21-,31-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242805 (US9422331, 26) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O)C#N |r| Show InChI InChI=1S/C30H32BrN5O6S/c1-17(33-3)29(38)34-28-18(2)36(27(37)16-43(5,40)41)25-13-19(14-32)9-11-24(25)35(30(28)39)15-22-20-7-6-8-23(31)21(20)10-12-26(22)42-4/h6-13,17-18,28,33H,15-16H2,1-5H3,(H,34,38)/t17-,18-,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM50441827 (CHEMBL2436217 | US9422331, 11) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O |r| Show InChI InChI=1S/C29H33BrN4O6S/c1-17(31-3)28(36)32-27-18(2)34(26(35)16-41(5,38)39)24-12-7-6-11-23(24)33(29(27)37)15-21-19-9-8-10-22(30)20(19)13-14-25(21)40-4/h6-14,17-18,27,31H,15-16H2,1-5H3,(H,32,36)/t17-,18-,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242791 (US9422331, 9) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)C2CCOCC2)c2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O |r| Show InChI InChI=1S/C32H38N4O5/c1-20(33-3)30(37)34-29-21(2)36(31(38)23-15-17-41-18-16-23)27-12-8-7-11-26(27)35(32(29)39)19-25-24-10-6-5-9-22(24)13-14-28(25)40-4/h5-14,20-21,23,29,33H,15-19H2,1-4H3,(H,34,37)/t20-,21-,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM50441821 (CHEMBL2436223 | US9422331, 27) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2c(OC)ccc3ccccc23)C1=O)C#N |r| Show InChI InChI=1S/C30H33N5O6S/c1-18(32-3)29(37)33-28-19(2)35(27(36)17-42(5,39)40)25-14-20(15-31)10-12-24(25)34(30(28)38)16-23-22-9-7-6-8-21(22)11-13-26(23)41-4/h6-14,18-19,28,32H,16-17H2,1-5H3,(H,33,37)/t18-,19-,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242821 (US9422331, 49) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CCOC)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O |r| Show InChI InChI=1S/C30H35BrN4O5/c1-18(32-3)29(37)33-28-19(2)35(27(36)15-16-39-4)25-12-7-6-11-24(25)34(30(28)38)17-22-20-9-8-10-23(31)21(20)13-14-26(22)40-5/h6-14,18-19,28,32H,15-17H2,1-5H3,(H,33,37)/t18-,19-,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242810 (US9422331, 34) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)C2CCOCC2)c2cc(ccc2N(Cc2c(OC)ccc3ccccc23)C1=O)C#N |r| Show InChI InChI=1S/C33H37N5O5/c1-20(35-3)31(39)36-30-21(2)38(32(40)24-13-15-43-16-14-24)28-17-22(18-34)9-11-27(28)37(33(30)41)19-26-25-8-6-5-7-23(25)10-12-29(26)42-4/h5-12,17,20-21,24,30,35H,13-16,19H2,1-4H3,(H,36,39)/t20-,21-,30-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM50441826 (CHEMBL2436216 | US9422331, 10) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O |r| Show InChI InChI=1S/C29H33BrN4O6S/c1-17(31-3)28(36)32-27-18(2)34(26(35)16-41(5,38)39)24-9-7-6-8-23(24)33(29(27)37)15-22-21-12-11-20(30)14-19(21)10-13-25(22)40-4/h6-14,17-18,27,31H,15-16H2,1-5H3,(H,32,36)/t17-,18-,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242796 (US9422331, 17) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)COC)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O |r| Show InChI InChI=1S/C29H33BrN4O5/c1-17(31-3)28(36)32-27-18(2)34(26(35)16-38-4)24-9-7-6-8-23(24)33(29(27)37)15-22-21-12-11-20(30)14-19(21)10-13-25(22)39-5/h6-14,17-18,27,31H,15-16H2,1-5H3,(H,32,36)/t17-,18-,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242785 (US9422331, 3) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O |r| Show InChI InChI=1S/C38H35N7O4/c1-23(40-4)36(47)41-35-24(2)44(37(48)27-19-17-26(18-20-27)25(3)46)34-16-10-9-15-33(34)43(38(35)49)22-30-29-12-6-8-14-32(29)45(42-30)31-13-7-5-11-28(31)21-39/h5-20,23-24,35,40H,22H2,1-4H3,(H,41,47)/t23-,24-,35-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242803 (US9422331, 24) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)C2CCOCC2)c2ccccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O |r| Show InChI InChI=1S/C35H37N7O4/c1-22(37-3)33(43)38-32-23(2)41(34(44)24-16-18-46-19-17-24)31-15-9-8-14-30(31)40(35(32)45)21-27-26-11-5-7-13-29(26)42(39-27)28-12-6-4-10-25(28)20-36/h4-15,22-24,32,37H,16-19,21H2,1-3H3,(H,38,43)/t22-,23-,32-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242822 (US9422331, 50) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CCOC)c2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O |r| Show InChI InChI=1S/C30H36N4O5/c1-19(31-3)29(36)32-28-20(2)34(27(35)16-17-38-4)25-13-9-8-12-24(25)33(30(28)37)18-23-22-11-7-6-10-21(22)14-15-26(23)39-5/h6-15,19-20,28,31H,16-18H2,1-5H3,(H,32,36)/t19-,20-,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242786 (US9422331, 4) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O |r| Show InChI InChI=1S/C36H37N5O4/c1-21(37-4)34(43)39-33-22(2)41(35(44)26-17-13-24(14-18-26)23(3)42)32-12-8-7-11-31(32)40(36(33)45)20-29-27-9-5-6-10-30(27)38-19-28(29)25-15-16-25/h5-14,17-19,21-22,25,33,37H,15-16,20H2,1-4H3,(H,39,43)/t21-,22-,33-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242820 (US9422331, 48) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(OC)cnc3ccccc23)C1=O |r| Show InChI InChI=1S/C28H33N5O6S/c1-17(29-3)27(35)31-26-18(2)33(25(34)16-40(5,37)38)23-13-9-8-12-22(23)32(28(26)36)15-20-19-10-6-7-11-21(19)30-14-24(20)39-4/h6-14,17-18,26,29H,15-16H2,1-5H3,(H,31,35)/t17-,18-,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242811 (US9422331, 35) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)C2CCOCC2)c2cc(ccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O)C#N |r| Show InChI InChI=1S/C34H38N6O4/c1-20(36-3)32(41)38-31-21(2)40(33(42)24-12-14-44-15-13-24)30-16-22(17-35)8-11-29(30)39(34(31)43)19-27-25-6-4-5-7-28(25)37-18-26(27)23-9-10-23/h4-8,11,16,18,20-21,23-24,31,36H,9-10,12-15,19H2,1-3H3,(H,38,41)/t20-,21-,31-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242802 (US9422331, 23) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)C2CCOCC2)c2ccccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O |r| Show InChI InChI=1S/C33H39N5O4/c1-20(34-3)31(39)36-30-21(2)38(32(40)23-14-16-42-17-15-23)29-11-7-6-10-28(29)37(33(30)41)19-26-24-8-4-5-9-27(24)35-18-25(26)22-12-13-22/h4-11,18,20-23,30,34H,12-17,19H2,1-3H3,(H,36,39)/t20-,21-,30-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242804 (US9422331, 25) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccc(cc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O)C#N |r| Show InChI InChI=1S/C30H32BrN5O6S/c1-17(33-3)29(38)34-28-18(2)36(27(37)16-43(5,40)41)24-11-9-19(14-32)13-25(24)35(30(28)39)15-22-20-7-6-8-23(31)21(20)10-12-26(22)42-4/h6-13,17-18,28,33H,15-16H2,1-5H3,(H,34,38)/t17-,18-,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242788 (US9422331, 6) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)c2ccc(cc2)C#N)c2cc(ccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O)C#N |r| Show InChI InChI=1S/C38H31N9O3/c1-23(42-3)36(48)43-35-24(2)46(37(49)27-15-12-25(19-39)13-16-27)34-18-26(20-40)14-17-33(34)45(38(35)50)22-30-29-9-5-7-11-32(29)47(44-30)31-10-6-4-8-28(31)21-41/h4-18,23-24,35,42H,22H2,1-3H3,(H,43,48)/t23-,24-,35-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242800 (US9422331, 21) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O |r| Show InChI InChI=1S/C28H32N4O4/c1-17(29-4)27(34)30-26-18(2)32(19(3)33)24-13-9-8-12-23(24)31(28(26)35)16-22-21-11-7-6-10-20(21)14-15-25(22)36-5/h6-15,17-18,26,29H,16H2,1-5H3,(H,30,34)/t17-,18-,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM50441809 (CHEMBL2436218 | US9422331, 13) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O |r| Show InChI InChI=1S/C29H34N4O6S/c1-18(30-3)28(35)31-27-19(2)33(26(34)17-40(5,37)38)24-13-9-8-12-23(24)32(29(27)36)16-22-21-11-7-6-10-20(21)14-15-25(22)39-4/h6-15,18-19,27,30H,16-17H2,1-5H3,(H,31,35)/t18-,19-,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM50441807 (CHEMBL2436225 | US9422331, 31) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2cc(ccc2N(Cc2c(OC)ccc3ccccc23)C1=O)C#N |r| Show InChI InChI=1S/C29H31N5O4/c1-17(31-4)28(36)32-27-18(2)34(19(3)35)25-14-20(15-30)10-12-24(25)33(29(27)37)16-23-22-9-7-6-8-21(22)11-13-26(23)38-5/h6-14,17-18,27,31H,16H2,1-5H3,(H,32,36)/t17-,18-,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242825 (US9422331, 54) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)C2CCOCC2)c2cc(ccc2N(Cc2c(C)ccc3ccccc23)C1=O)C#N |r| Show InChI InChI=1S/C33H37N5O4/c1-20-9-11-24-7-5-6-8-26(24)27(20)19-37-28-12-10-23(18-34)17-29(28)38(32(40)25-13-15-42-16-14-25)22(3)30(33(37)41)36-31(39)21(2)35-4/h5-12,17,21-22,25,30,35H,13-16,19H2,1-4H3,(H,36,39)/t21-,22-,30-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242807 (US9422331, 29) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2c(C)ccc3ccccc23)C1=O)C#N |r| Show InChI InChI=1S/C31H35N5O5S/c1-6-25(33-4)30(38)34-29-20(3)36(28(37)18-42(5,40)41)27-15-21(16-32)12-14-26(27)35(31(29)39)17-24-19(2)11-13-22-9-7-8-10-23(22)24/h7-15,20,25,29,33H,6,17-18H2,1-5H3,(H,34,38)/t20-,25-,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242823 (US9422331, 52) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O)C#N |r| Show InChI InChI=1S/C31H34N6O5S/c1-18(33-3)30(39)35-29-19(2)37(28(38)17-43(4,41)42)27-13-20(14-32)9-12-26(27)36(31(29)40)16-24-22-7-5-6-8-25(22)34-15-23(24)21-10-11-21/h5-9,12-13,15,18-19,21,29,33H,10-11,16-17H2,1-4H3,(H,35,39)/t18-,19-,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM50441824 (CHEMBL2436224 | US9422331, 51) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2c(C)ccc3ccccc23)C1=O)C#N |r| Show InChI InChI=1S/C30H33N5O5S/c1-18-10-12-22-8-6-7-9-23(22)24(18)16-34-25-13-11-21(15-31)14-26(25)35(27(36)17-41(5,39)40)20(3)28(30(34)38)33-29(37)19(2)32-4/h6-14,19-20,28,32H,16-17H2,1-5H3,(H,33,37)/t19-,20-,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242809 (US9422331, 33) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2cc(ccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O)C#N |r| Show InChI InChI=1S/C30H32N6O3/c1-17(32-4)29(38)34-28-18(2)36(19(3)37)27-13-20(14-31)9-12-26(27)35(30(28)39)16-24-22-7-5-6-8-25(22)33-15-23(24)21-10-11-21/h5-9,12-13,15,17-18,21,28,32H,10-11,16H2,1-4H3,(H,34,38)/t17-,18-,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242817 (US9422331, 42) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O |r| Show InChI InChI=1S/C30H35N5O5S/c1-18(31-3)29(37)33-28-19(2)35(27(36)17-41(4,39)40)26-12-8-7-11-25(26)34(30(28)38)16-23-21-9-5-6-10-24(21)32-15-22(23)20-13-14-20/h5-12,15,18-20,28,31H,13-14,16-17H2,1-4H3,(H,33,37)/t18-,19-,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242797 (US9422331, 18) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2ccccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O |r| Show InChI InChI=1S/C29H33N5O3/c1-17(30-4)28(36)32-27-18(2)34(19(3)35)26-12-8-7-11-25(26)33(29(27)37)16-23-21-9-5-6-10-24(21)31-15-22(23)20-13-14-20/h5-12,15,17-18,20,27,30H,13-14,16H2,1-4H3,(H,32,36)/t17-,18-,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM50441813 (CHEMBL2436222 | US9422331, 44) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O |r| Show InChI InChI=1S/C32H33N7O5S/c1-20(34-3)31(41)35-30-21(2)38(29(40)19-45(4,43)44)28-16-10-9-15-27(28)37(32(30)42)18-24-23-12-6-8-14-26(23)39(36-24)25-13-7-5-11-22(25)17-33/h5-16,20-21,30,34H,18-19H2,1-4H3,(H,35,41)/t20-,21-,30-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	32	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242824 (US9422331, 53) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O)C#N |r| Show InChI InChI=1S/C33H32N8O5S/c1-20(36-3)32(43)37-31-21(2)40(30(42)19-47(4,45)46)29-15-22(16-34)13-14-28(29)39(33(31)44)18-25-24-10-6-8-12-27(24)41(38-25)26-11-7-5-9-23(26)17-35/h5-15,20-21,31,36H,18-19H2,1-4H3,(H,37,43)/t20-,21-,31-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242808 (US9422331, 30) Show SMILES CCN[C@@H](CC)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2c(C)ccc3ccccc23)C1=O)C#N |r| Show InChI InChI=1S/C32H37N5O5S/c1-6-26(34-7-2)31(39)35-30-21(4)37(29(38)19-43(5,41)42)28-16-22(17-33)13-15-27(28)36(32(30)40)18-25-20(3)12-14-23-10-8-9-11-24(23)25/h8-16,21,26,30,34H,6-7,18-19H2,1-5H3,(H,35,39)/t21-,26-,30-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242794 (US9422331, 15) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(C)c(Cl)nc3ccccc23)C1=O |r| Show InChI InChI=1S/C28H32ClN5O5S/c1-16-20(19-10-6-7-11-21(19)31-26(16)29)14-33-22-12-8-9-13-23(22)34(24(35)15-40(5,38)39)18(3)25(28(33)37)32-27(36)17(2)30-4/h6-13,17-18,25,30H,14-15H2,1-5H3,(H,32,36)/t17-,18-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	43	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242819 (US9422331, 47) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(OC(F)F)ccc3ccccc23)C1=O |r| Show InChI InChI=1S/C29H32F2N4O6S/c1-17(32-3)27(37)33-26-18(2)35(25(36)16-42(4,39)40)23-12-8-7-11-22(23)34(28(26)38)15-21-20-10-6-5-9-19(20)13-14-24(21)41-29(30)31/h5-14,17-18,26,29,32H,15-16H2,1-4H3,(H,33,37)/t17-,18-,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	43	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242798 (US9422331, 19) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2ccccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O |r| Show InChI InChI=1S/C31H31N7O3/c1-19(33-4)30(40)34-29-20(2)37(21(3)39)28-16-10-9-15-27(28)36(31(29)41)18-24-23-12-6-8-14-26(23)38(35-24)25-13-7-5-11-22(25)17-32/h5-16,19-20,29,33H,18H2,1-4H3,(H,34,40)/t19-,20-,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	44	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM50441806 (CHEMBL2436226 | US9422331, 32) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2cc(ccc2N(Cc2c(C)ccc3ccccc23)C1=O)C#N |r| Show InChI InChI=1S/C29H31N5O3/c1-17-10-12-22-8-6-7-9-23(22)24(17)16-33-25-13-11-21(15-30)14-26(25)34(20(4)35)19(3)27(29(33)37)32-28(36)18(2)31-5/h6-14,18-19,27,31H,16H2,1-5H3,(H,32,36)/t18-,19-,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	46	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242793 (US9422331, 14) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(C)cnc3ccccc23)C1=O |r| Show InChI InChI=1S/C28H33N5O5S/c1-17-14-30-22-11-7-6-10-20(22)21(17)15-32-23-12-8-9-13-24(23)33(25(34)16-39(5,37)38)19(3)26(28(32)36)31-27(35)18(2)29-4/h6-14,18-19,26,29H,15-16H2,1-5H3,(H,31,35)/t18-,19-,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	54	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242799 (US9422331, 20) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2ccccc2N(Cc2c(C)cnc3ccccc23)C1=O |r| Show InChI InChI=1S/C27H31N5O3/c1-16-14-29-22-11-7-6-10-20(22)21(16)15-31-23-12-8-9-13-24(23)32(19(4)33)18(3)25(27(31)35)30-26(34)17(2)28-5/h6-14,17-18,25,28H,15H2,1-5H3,(H,30,34)/t17-,18-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242801 (US9422331, 22) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O |r| Show InChI InChI=1S/C28H32N4O3/c1-17-14-15-21-10-6-7-11-22(21)23(17)16-31-24-12-8-9-13-25(24)32(20(4)33)19(3)26(28(31)35)30-27(34)18(2)29-5/h6-15,18-19,26,29H,16H2,1-5H3,(H,30,34)/t18-,19-,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	56	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM50441808 (CHEMBL2436219 | US9422331, 45) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O |r| Show InChI InChI=1S/C29H34N4O5S/c1-18-14-15-21-10-6-7-11-22(21)23(18)16-32-24-12-8-9-13-25(24)33(26(34)17-39(5,37)38)20(3)27(29(32)36)31-28(35)19(2)30-4/h6-15,19-20,27,30H,16-17H2,1-5H3,(H,31,35)/t19-,20-,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	58	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242806 (US9422331, 28) Show SMILES CCN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2c(C)ccc3ccccc23)C1=O)C#N |r| Show InChI InChI=1S/C31H35N5O5S/c1-6-33-20(3)30(38)34-29-21(4)36(28(37)18-42(5,40)41)27-15-22(16-32)12-14-26(27)35(31(29)39)17-25-19(2)11-13-23-9-7-8-10-24(23)25/h7-15,20-21,29,33H,6,17-18H2,1-5H3,(H,34,38)/t20-,21-,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM50441814 (CHEMBL2436221 | US9422331, 46) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2nn(C)c3ccccc23)C1=O |r| Show InChI InChI=1S/C26H32N6O5S/c1-16(27-3)25(34)28-24-17(2)32(23(33)15-38(5,36)37)22-13-9-8-12-21(22)31(26(24)35)14-19-18-10-6-7-11-20(18)30(4)29-19/h6-13,16-17,24,27H,14-15H2,1-5H3,(H,28,34)/t16-,17-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	83	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242812 (US9422331, 36) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2cc(ccc2N(Cc2cc(Br)ccc2OC)C1=O)C#N |r| Show InChI InChI=1S/C25H28BrN5O4/c1-14(28-4)24(33)29-23-15(2)31(16(3)32)21-10-17(12-27)6-8-20(21)30(25(23)34)13-18-11-19(26)7-9-22(18)35-5/h6-11,14-15,23,28H,13H2,1-5H3,(H,29,33)/t14-,15-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242818 (US9422331, 43) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2cc(Cl)ccc2OC)C1=O |r| Show InChI InChI=1S/C25H31ClN4O6S/c1-15(27-3)24(32)28-23-16(2)30(22(31)14-37(5,34)35)20-9-7-6-8-19(20)29(25(23)33)13-17-12-18(26)10-11-21(17)36-4/h6-12,15-16,23,27H,13-14H2,1-5H3,(H,28,32)/t15-,16-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	125	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242795 (US9422331, 16) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2ccnc3ccccc23)C1=O |r| Show InChI InChI=1S/C27H31N5O5S/c1-17(28-3)26(34)30-25-18(2)32(24(33)16-38(4,36)37)23-12-8-7-11-22(23)31(27(25)35)15-19-13-14-29-21-10-6-5-9-20(19)21/h5-14,17-18,25,28H,15-16H2,1-4H3,(H,30,34)/t17-,18-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	179	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM50441815 (CHEMBL2436220 | US9422331, 39) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2noc3ccccc23)C1=O |r| Show InChI InChI=1S/C25H29N5O6S/c1-15(26-3)24(32)27-23-16(2)30(22(31)14-37(4,34)35)20-11-7-6-10-19(20)29(25(23)33)13-18-17-9-5-8-12-21(17)36-28-18/h5-12,15-16,23,26H,13-14H2,1-4H3,(H,27,32)/t15-,16-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	182	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242813 (US9422331, 37) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2cc(ccc2N(Cc2cc(ccc2OC)-c2ccccc2)C1=O)C#N |r| Show InChI InChI=1S/C31H33N5O4/c1-19(33-4)30(38)34-29-20(2)36(21(3)37)27-15-22(17-32)11-13-26(27)35(31(29)39)18-25-16-24(12-14-28(25)40-5)23-9-7-6-8-10-23/h6-16,19-20,29,33H,18H2,1-5H3,(H,34,38)/t19-,20-,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	189	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair

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