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PubMed code 15664855

Compile data set for download or QSAR
Found 19 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))		BDBM13182
PNG
((2S)-2-amino-N-[5-(4-butoxyphenyl)-1,3,4-thiadiazo...)
Show SMILES CCCCOc1ccc(cc1)-c1nnc(NC(=O)[C@H](C)N)s1 |r|
Show InChI InChI=1S/C15H20N4O2S/c1-3-4-9-21-12-7-5-11(6-8-12)14-18-19-15(22-14)17-13(20)10(2)16/h5-8,10H,3-4,9,16H2,1-2H3,(H,17,19,20)/t10-/m0/s1
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n/an/an/a 2.50E+4n/an/an/a7.422



Abbott Laboratories



Assay Description
A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...

Bioorg Med Chem Lett 15: 771-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.010
BindingDB Entry DOI: 10.7270/Q23T9FFF
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))		BDBM13198
PNG
((2S)-2-amino-N-{5-thia-3-azatricyclo[7.4.0.0^{2,6}...)
Show SMILES C[C@H](N)C(=O)Nc1nc2c(ccc3ccccc23)s1 |r|
Show InChI InChI=1S/C14H13N3OS/c1-8(15)13(18)17-14-16-12-10-5-3-2-4-9(10)6-7-11(12)19-14/h2-8H,15H2,1H3,(H,16,17,18)/t8-/m0/s1
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n/an/an/a 7.10E+3n/an/an/an/an/a



Abbott Laboratories



Assay Description
A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...

Bioorg Med Chem Lett 15: 771-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.010
BindingDB Entry DOI: 10.7270/Q23T9FFF
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))		BDBM13181
PNG
((2S)-2-amino-N-(5,7-dimethyl-1,8-naphthyridin-2-yl...)
Show SMILES C[C@H](N)C(=O)Nc1ccc2c(C)cc(C)nc2n1 |r|
Show InChI InChI=1S/C13H16N4O/c1-7-6-8(2)15-12-10(7)4-5-11(16-12)17-13(18)9(3)14/h4-6,9H,14H2,1-3H3,(H,15,16,17,18)/t9-/m0/s1
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n/an/an/a 2.00E+4n/an/an/a7.422



Abbott Laboratories



Assay Description
A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...

Bioorg Med Chem Lett 15: 771-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.010
BindingDB Entry DOI: 10.7270/Q23T9FFF
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))		BDBM13187
PNG
((2S)-2-amino-N-(5-tert-butyl-4-phenyl-1,3-thiazol-...)
Show SMILES C[C@H](N)C(=O)Nc1nc(c(s1)C(C)(C)C)-c1ccccc1 |r|
Show InChI InChI=1S/C16H21N3OS/c1-10(17)14(20)19-15-18-12(11-8-6-5-7-9-11)13(21-15)16(2,3)4/h5-10H,17H2,1-4H3,(H,18,19,20)/t10-/m0/s1
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n/an/an/a 4.80E+3n/an/an/an/an/a



Abbott Laboratories



Assay Description
A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...

Bioorg Med Chem Lett 15: 771-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.010
BindingDB Entry DOI: 10.7270/Q23T9FFF
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))		BDBM13188
PNG
((2S)-2-amino-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl...)
Show SMILES C[C@H](N)C(=O)Nc1nc(C)c(s1)-c1ccccc1 |r|
Show InChI InChI=1S/C13H15N3OS/c1-8(14)12(17)16-13-15-9(2)11(18-13)10-6-4-3-5-7-10/h3-8H,14H2,1-2H3,(H,15,16,17)/t8-/m0/s1
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n/an/an/a 1.50E+4n/an/an/an/an/a



Abbott Laboratories



Assay Description
A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...

Bioorg Med Chem Lett 15: 771-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.010
BindingDB Entry DOI: 10.7270/Q23T9FFF
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))		BDBM13195
PNG
((2S)-2-amino-N-{5-benzyl-4-[(naphthalen-1-yloxy)me...)
Show SMILES C[C@H](N)C(=O)Nc1nc(COc2cccc3ccccc23)c(Cc2ccccc2)s1 |r|
Show InChI InChI=1S/C24H23N3O2S/c1-16(25)23(28)27-24-26-20(22(30-24)14-17-8-3-2-4-9-17)15-29-21-13-7-11-18-10-5-6-12-19(18)21/h2-13,16H,14-15,25H2,1H3,(H,26,27,28)/t16-/m0/s1
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n/an/an/a 2.10E+4n/an/an/an/an/a



Abbott Laboratories



Assay Description
A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...

Bioorg Med Chem Lett 15: 771-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.010
BindingDB Entry DOI: 10.7270/Q23T9FFF
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))		BDBM13192
PNG
((2S)-2-amino-N-[5-benzyl-4-(3-benzylphenyl)-1,3-th...)
Show SMILES C[C@H](N)C(=O)Nc1nc(c(Cc2ccccc2)s1)-c1cccc(Cc2ccccc2)c1 |r|
Show InChI InChI=1S/C26H25N3OS/c1-18(27)25(30)29-26-28-24(23(31-26)17-20-11-6-3-7-12-20)22-14-8-13-21(16-22)15-19-9-4-2-5-10-19/h2-14,16,18H,15,17,27H2,1H3,(H,28,29,30)/t18-/m0/s1
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n/an/an/a>1.00E+5n/an/an/an/an/a



Abbott Laboratories



Assay Description
A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...

Bioorg Med Chem Lett 15: 771-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.010
BindingDB Entry DOI: 10.7270/Q23T9FFF
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))		BDBM13196
PNG
((2S)-2-amino-N-{5-benzyl-4-[(naphthalen-2-yloxy)me...)
Show SMILES C[C@H](N)C(=O)Nc1nc(COc2ccc3ccccc3c2)c(Cc2ccccc2)s1 |r|
Show InChI InChI=1S/C24H23N3O2S/c1-16(25)23(28)27-24-26-21(22(30-24)13-17-7-3-2-4-8-17)15-29-20-12-11-18-9-5-6-10-19(18)14-20/h2-12,14,16H,13,15,25H2,1H3,(H,26,27,28)/t16-/m0/s1
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n/an/an/a 1.40E+4n/an/an/an/an/a



Abbott Laboratories



Assay Description
A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...

Bioorg Med Chem Lett 15: 771-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.010
BindingDB Entry DOI: 10.7270/Q23T9FFF
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))		BDBM13199
PNG
((2S)-2-amino-N-{5-thia-3-azatricyclo[7.4.0.0^{2,6}...)
Show SMILES C[C@H](N)C(=O)Nc1nc-2c(CCc3ccccc-23)s1 |r|
Show InChI InChI=1S/C14H15N3OS/c1-8(15)13(18)17-14-16-12-10-5-3-2-4-9(10)6-7-11(12)19-14/h2-5,8H,6-7,15H2,1H3,(H,16,17,18)/t8-/m0/s1
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n/an/an/a 5.60E+3n/an/an/an/an/a



Abbott Laboratories



Assay Description
A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...

Bioorg Med Chem Lett 15: 771-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.010
BindingDB Entry DOI: 10.7270/Q23T9FFF
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))		BDBM13185
PNG
((2S)-2-amino-N-{5-methyl-4-[(2,4,6-trimethylphenyl...)
Show SMILES C[C@H](N)C(=O)Nc1nc(C)c(Cc2c(C)cc(C)cc2C)[nH]1 |r|
Show InChI InChI=1S/C17H24N4O/c1-9-6-10(2)14(11(3)7-9)8-15-13(5)19-17(20-15)21-16(22)12(4)18/h6-7,12H,8,18H2,1-5H3,(H2,19,20,21,22)/t12-/m0/s1
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n/an/an/a 2.00E+3n/an/an/a7.422



Abbott Laboratories



Assay Description
A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...

Bioorg Med Chem Lett 15: 771-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.010
BindingDB Entry DOI: 10.7270/Q23T9FFF
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))		BDBM13186
PNG
((2S)-2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl...)
Show SMILES C[C@H](N)C(=O)Nc1nc(c(C)s1)-c1ccccc1 |r|
Show InChI InChI=1S/C13H15N3OS/c1-8(14)12(17)16-13-15-11(9(2)18-13)10-6-4-3-5-7-10/h3-8H,14H2,1-2H3,(H,15,16,17)/t8-/m0/s1
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n/an/an/a 1.50E+4n/an/an/a7.422



Abbott Laboratories



Assay Description
A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...

Bioorg Med Chem Lett 15: 771-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.010
BindingDB Entry DOI: 10.7270/Q23T9FFF
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))		BDBM13193
PNG
((2S)-2-amino-N-[5-benzyl-4-(phenoxymethyl)-1,3-thi...)
Show SMILES C[C@H](N)C(=O)Nc1nc(COc2ccccc2)c(Cc2ccccc2)s1 |r|
Show InChI InChI=1S/C20H21N3O2S/c1-14(21)19(24)23-20-22-17(13-25-16-10-6-3-7-11-16)18(26-20)12-15-8-4-2-5-9-15/h2-11,14H,12-13,21H2,1H3,(H,22,23,24)/t14-/m0/s1
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n/an/an/a 4.10E+3n/an/an/an/an/a



Abbott Laboratories



Assay Description
A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...

Bioorg Med Chem Lett 15: 771-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.010
BindingDB Entry DOI: 10.7270/Q23T9FFF
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))		BDBM13190
PNG
((2S)-2-amino-N-[4-(4-bromophenyl)-5-phenyl-1,3-thi...)
Show SMILES C[C@H](N)C(=O)Nc1nc(c(s1)-c1ccccc1)-c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C18H16BrN3OS/c1-11(20)17(23)22-18-21-15(12-7-9-14(19)10-8-12)16(24-18)13-5-3-2-4-6-13/h2-11H,20H2,1H3,(H,21,22,23)/t11-/m0/s1
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n/an/an/a 740n/an/an/an/an/a



Abbott Laboratories



Assay Description
A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...

Bioorg Med Chem Lett 15: 771-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.010
BindingDB Entry DOI: 10.7270/Q23T9FFF
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))		BDBM13183
PNG
((2S)-2-amino-N-(5-benzoyl-1H-1,3-benzodiazol-2-yl)...)
Show SMILES C[C@H](N)C(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C17H16N4O2/c1-10(18)16(23)21-17-19-13-8-7-12(9-14(13)20-17)15(22)11-5-3-2-4-6-11/h2-10H,18H2,1H3,(H2,19,20,21,23)/t10-/m0/s1
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n/an/an/a 3.00E+4n/an/an/a7.422



Abbott Laboratories



Assay Description
A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...

Bioorg Med Chem Lett 15: 771-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.010
BindingDB Entry DOI: 10.7270/Q23T9FFF
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))		BDBM13184
PNG
((2S)-2-amino-N-[4-(4-chloro-3-methylphenyl)-1,3-th...)
Show SMILES C[C@H](N)C(=O)Nc1nc(cs1)-c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C13H14ClN3OS/c1-7-5-9(3-4-10(7)14)11-6-19-13(16-11)17-12(18)8(2)15/h3-6,8H,15H2,1-2H3,(H,16,17,18)/t8-/m0/s1
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n/an/an/a 3.00E+4n/an/an/a7.422



Abbott Laboratories



Assay Description
A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...

Bioorg Med Chem Lett 15: 771-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.010
BindingDB Entry DOI: 10.7270/Q23T9FFF
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))		BDBM13191
PNG
((2S)-2-amino-N-[4-(4-benzylphenyl)-5-phenyl-1,3-th...)
Show SMILES C[C@H](N)C(=O)Nc1nc(c(s1)-c1ccccc1)-c1ccc(Cc2ccccc2)cc1 |r|
Show InChI InChI=1S/C25H23N3OS/c1-17(26)24(29)28-25-27-22(23(30-25)21-10-6-3-7-11-21)20-14-12-19(13-15-20)16-18-8-4-2-5-9-18/h2-15,17H,16,26H2,1H3,(H,27,28,29)/t17-/m0/s1
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n/an/an/a 1.20E+3n/an/an/an/an/a



Abbott Laboratories



Assay Description
A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...

Bioorg Med Chem Lett 15: 771-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.010
BindingDB Entry DOI: 10.7270/Q23T9FFF
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))		BDBM13194
PNG
((2S)-2-amino-N-{5-benzyl-4-[(benzyloxy)methyl]-1,3...)
Show SMILES C[C@H](N)C(=O)Nc1nc(COCc2ccccc2)c(Cc2ccccc2)s1 |r|
Show InChI InChI=1S/C21H23N3O2S/c1-15(22)20(25)24-21-23-18(14-26-13-17-10-6-3-7-11-17)19(27-21)12-16-8-4-2-5-9-16/h2-11,15H,12-14,22H2,1H3,(H,23,24,25)/t15-/m0/s1
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n/an/an/a 4.10E+3n/an/an/an/an/a



Abbott Laboratories



Assay Description
A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...

Bioorg Med Chem Lett 15: 771-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.010
BindingDB Entry DOI: 10.7270/Q23T9FFF
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))		BDBM13197
PNG
((2S)-2-amino-N-{5-benzyl-4-[(2,3-dihydro-1H-inden-...)
Show SMILES C[C@H](N)C(=O)Nc1nc(COC2Cc3ccccc3C2)c(Cc2ccccc2)s1 |r|
Show InChI InChI=1S/C23H25N3O2S/c1-15(24)22(27)26-23-25-20(21(29-23)11-16-7-3-2-4-8-16)14-28-19-12-17-9-5-6-10-18(17)13-19/h2-10,15,19H,11-14,24H2,1H3,(H,25,26,27)/t15-/m0/s1
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n/an/an/a 2.20E+4n/an/an/an/an/a



Abbott Laboratories



Assay Description
A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...

Bioorg Med Chem Lett 15: 771-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.010
BindingDB Entry DOI: 10.7270/Q23T9FFF
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))		BDBM13189
PNG
((2S)-2-amino-N-(4,5-diphenyl-1,3-thiazol-2-yl)prop...)
Show SMILES C[C@H](N)C(=O)Nc1nc(c(s1)-c1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1S/C18H17N3OS/c1-12(19)17(22)21-18-20-15(13-8-4-2-5-9-13)16(23-18)14-10-6-3-7-11-14/h2-12H,19H2,1H3,(H,20,21,22)/t12-/m0/s1
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n/an/an/a 1.10E+3n/an/an/an/an/a



Abbott Laboratories



Assay Description
A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...

Bioorg Med Chem Lett 15: 771-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.010
BindingDB Entry DOI: 10.7270/Q23T9FFF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%