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PubChem AID 1749

Compile data set for download or QSAR
Found 106 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


(Homo sapiens (Human))		BDBM44276
PNG
((2S)-N-[(1S)-1-[(2S)-2-(anilinocarbamoyl)pyrrolidi...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NNc1ccccc1
Show InChI InChI=1S/C20H31N5O3/c1-13(2)17(22-18(26)14(3)21-4)20(28)25-12-8-11-16(25)19(27)24-23-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-17,21,23H,8,11-12H2,1-4H3,(H,22,26)(H,24,27)/t14-,16-,17-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44295
PNG
(CHEMBL1624713 | MLS-0390969.0002 | cid_44182162 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C24H32N4O3/c1-15(2)21(27-22(29)16(3)25-4)24(31)28-14-8-13-20(28)23(30)26-19-12-7-10-17-9-5-6-11-18(17)19/h5-7,9-12,15-16,20-21,25H,8,13-14H2,1-4H3,(H,26,30)(H,27,29)/t16-,20-,21-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44289
PNG
((2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C21H28N4O3/c1-12(2)18(25-19(26)13(3)22)21(28)23-14(4)20(27)24-17-11-7-9-15-8-5-6-10-16(15)17/h5-14,18H,22H2,1-4H3,(H,23,28)(H,24,27)(H,25,26)/t13-,14-,18-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44284
PNG
((2S)-N-(1H-indol-5-yl)-1-[(2S)-3-methyl-2-[[(2S)-2...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C22H31N5O3/c1-13(2)19(26-20(28)14(3)23-4)22(30)27-11-5-6-18(27)21(29)25-16-7-8-17-15(12-16)9-10-24-17/h7-10,12-14,18-19,23-24H,5-6,11H2,1-4H3,(H,25,29)(H,26,28)/t14-,18-,19-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44332
PNG
(CHEMBL1622564 | MLS-0391025.0001 | cid_44182257 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C23H31N5O3/c1-14(2)19(27-21(29)15(3)24-4)23(31)28-13-7-11-18(28)22(30)26-17-10-5-8-16-9-6-12-25-20(16)17/h5-6,8-10,12,14-15,18-19,24H,7,11,13H2,1-4H3,(H,26,30)(H,27,29)/t15-,18-,19-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44320
PNG
((2S)-N-[(1S)-1-[(2S)-2-[(3-fluoroanilino)carbamoyl...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NNc1cccc(F)c1
Show InChI InChI=1S/C20H30FN5O3/c1-12(2)17(23-18(27)13(3)22-4)20(29)26-10-6-9-16(26)19(28)25-24-15-8-5-7-14(21)11-15/h5,7-8,11-13,16-17,22,24H,6,9-10H2,1-4H3,(H,23,27)(H,25,28)/t13-,16-,17-/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44298
PNG
(MLS-0391061.0001 | [[amino-[(4S)-4-[[(2S)-3-methyl...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N[N+](O)=O)C(=O)NNc1ccccc1 |w:18.17|
Show InChI InChI=1S/C21H35N9O5/c1-13(2)17(26-18(31)14(3)23-4)20(33)25-16(11-8-12-24-21(22)29-30(34)35)19(32)28-27-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-17,23,27H,8,11-12H2,1-4H3,(H6-,22,24,25,26,28,29,31,32,33,34,35)/p+1/t14-,16-,17-/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44333
PNG
(CHEMBL1618706 | MLS-0391029.0001 | cid_44182259 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cc(C)nc2ccccc12
Show InChI InChI=1S/C24H33N5O3/c1-14(2)21(28-22(30)16(4)25-5)24(32)29-12-8-11-20(29)23(31)27-19-13-15(3)26-18-10-7-6-9-17(18)19/h6-7,9-10,13-14,16,20-21,25H,8,11-12H2,1-5H3,(H,28,30)(H,26,27,31)/t16-,20-,21-/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44340
PNG
(CHEMBL1619739 | MLS-0391036.0001 | cid_44182273 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2ccccc2n1
Show InChI InChI=1S/C23H31N5O3/c1-14(2)20(27-21(29)15(3)24-4)23(31)28-13-7-10-18(28)22(30)26-19-12-11-16-8-5-6-9-17(16)25-19/h5-6,8-9,11-12,14-15,18,20,24H,7,10,13H2,1-4H3,(H,27,29)(H,25,26,30)/t15-,18-,20-/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44336
PNG
((2S)-N-isoquinolin-1-yl-1-[(2S)-3-methyl-2-[[(2S)-...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1nccc2ccccc12
Show InChI InChI=1S/C23H31N5O3/c1-14(2)19(26-21(29)15(3)24-4)23(31)28-13-7-10-18(28)22(30)27-20-17-9-6-5-8-16(17)11-12-25-20/h5-6,8-9,11-12,14-15,18-19,24H,7,10,13H2,1-4H3,(H,26,29)(H,25,27,30)/t15-,18-,19-/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44264
PNG
(CHEMBL1621842 | MLS-0390982.0001 | cid_25241639 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C24H36N4O3/c1-15(2)21(27-22(29)16(3)25-4)24(31)28-14-8-13-20(28)23(30)26-19-12-7-10-17-9-5-6-11-18(17)19/h5-6,9,11,15-16,19-21,25H,7-8,10,12-14H2,1-4H3,(H,26,30)(H,27,29)/t16-,19+,20-,21-/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44281
PNG
((2S)-1-[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H34N4O3/c1-17(2)22(28-24(31)18(3)27)26(33)30-16-10-15-21(30)25(32)29-23(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,17-18,21-23H,10,15-16,27H2,1-3H3,(H,28,31)(H,29,32)/t18-,21-,22-/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44311
PNG
((2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)NNc1ccccc1
Show InChI InChI=1S/C17H27N5O3/c1-10(2)14(20-15(23)11(3)18)17(25)19-12(4)16(24)22-21-13-8-6-5-7-9-13/h5-12,14,21H,18H2,1-4H3,(H,19,25)(H,20,23)(H,22,24)/t11-,12-,14-/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44273
PNG
(MLS-0391006.0001 | cid_25241667 | formic acid;(2S)...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C25H38N4O3/c1-5-16(2)22(28-23(30)17(3)26-4)25(32)29-15-9-14-21(29)24(31)27-20-13-8-11-18-10-6-7-12-19(18)20/h6-7,10,12,16-17,20-22,26H,5,8-9,11,13-15H2,1-4H3,(H,27,31)(H,28,30)/t16-,17-,20+,21-,22-/m0/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44266
PNG
((2S)-N-(diphenylmethyl)-1-[(2S,3S)-3-methyl-2-[[(2...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H38N4O3/c1-5-19(2)24(30-26(33)20(3)29-4)28(35)32-18-12-17-23(32)27(34)31-25(21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-11,13-16,19-20,23-25,29H,5,12,17-18H2,1-4H3,(H,30,33)(H,31,34)/t19-,20-,23-,24-/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44327
PNG
(CHEMBL1618815 | MLS-0412169.0001 | benzyl N-[(4S)-...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)NNc1ccccc1
Show InChI InChI=1S/C28H40N6O5/c1-19(2)24(32-25(35)20(3)29-4)27(37)31-23(26(36)34-33-22-14-9-6-10-15-22)16-11-17-30-28(38)39-18-21-12-7-5-8-13-21/h5-10,12-15,19-20,23-24,29,33H,11,16-18H2,1-4H3,(H,30,38)(H,31,37)(H,32,35)(H,34,36)/t20-,23-,24-/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44286
PNG
((2S)-N-[(1S)-2-keto-1-methyl-2-(1-naphthylamino)et...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C22H30N4O3/c1-13(2)19(26-20(27)14(3)23-5)22(29)24-15(4)21(28)25-18-12-8-10-16-9-6-7-11-17(16)18/h6-15,19,23H,1-5H3,(H,24,29)(H,25,28)(H,26,27)/t14-,15-,19-/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44255
PNG
((2S)-1-[(2S)-3,3-dimethyl-2-[2-(methylamino)propan...)
Show SMILES CNC(C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C28H38N4O3/c1-19(29-5)25(33)31-24(28(2,3)4)27(35)32-18-12-17-22(32)26(34)30-23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19,22-24,29H,12,17-18H2,1-5H3,(H,30,34)(H,31,33)/t19?,22-,24+/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44287
PNG
(CHEMBL1625863 | MLS-0412059.0001 | cid_44176342 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C24H34N4O3/c1-14(2)20(28-24(31)21(15(3)4)27-22(29)16(5)25-6)23(30)26-19-13-9-11-17-10-7-8-12-18(17)19/h7-16,20-21,25H,1-6H3,(H,26,30)(H,27,29)(H,28,31)/t16-,20-,21-/m0/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44257
PNG
(MLS-0390899.0001 | N-(diphenylmethyl)-1-[3-methyl-...)
Show SMILES CNC(C)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H36N4O3/c1-18(2)23(29-25(32)19(3)28-4)27(34)31-17-11-16-22(31)26(33)30-24(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-10,12-15,18-19,22-24,28H,11,16-17H2,1-4H3,(H,29,32)(H,30,33)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44353
PNG
((2S)-N-[(1S)-5-amino-1-(anilinocarbamoyl)pentyl]-3...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NNc1ccccc1
Show InChI InChI=1S/C21H36N6O3/c1-14(2)18(25-19(28)15(3)23-4)21(30)24-17(12-8-9-13-22)20(29)27-26-16-10-6-5-7-11-16/h5-7,10-11,14-15,17-18,23,26H,8-9,12-13,22H2,1-4H3,(H,24,30)(H,25,28)(H,27,29)/t15-,17-,18-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44299
PNG
(MLS-0391062.0001 | [[amino-[(4S)-4-[[(2S)-3-methyl...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N[N+](O)=O)C(=O)NC1CCCc2ccccc12 |w:18.17|
Show InChI InChI=1S/C25H40N8O5/c1-15(2)21(31-22(34)16(3)27-4)24(36)30-20(13-8-14-28-25(26)32-33(37)38)23(35)29-19-12-7-10-17-9-5-6-11-18(17)19/h5-6,9,11,15-16,19-21,27H,7-8,10,12-14H2,1-4H3,(H6-,26,28,29,30,31,32,34,35,36,37,38)/p+1/t16-,19?,20-,21-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44272
PNG
(CHEMBL1617726 | ML101 | MLS-0391005.0001 | cid_252...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc2ncccc12
Show InChI InChI=1S/C23H31N5O3/c1-14(2)20(27-21(29)15(3)24-4)23(31)28-13-7-11-19(28)22(30)26-18-10-5-9-17-16(18)8-6-12-25-17/h5-6,8-10,12,14-15,19-20,24H,7,11,13H2,1-4H3,(H,26,30)(H,27,29)/t15-,19-,20-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44358
PNG
((2S)-2-[[(2S)-2-amino-1-oxobutyl]amino]-3-methyl-N...)
Show SMILES CC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)NNc1ccccc1
Show InChI InChI=1S/C18H29N5O3/c1-5-14(19)17(25)21-15(11(2)3)18(26)20-12(4)16(24)23-22-13-9-7-6-8-10-13/h6-12,14-15,22H,5,19H2,1-4H3,(H,20,26)(H,21,25)(H,23,24)/t12-,14-,15-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44346
PNG
(CHEMBL1617821 | MLS-0412198.0001 | benzyl N-[(4S)-...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C32H41N5O5/c1-21(2)28(37-29(38)22(3)33-4)31(40)36-27(18-11-19-34-32(41)42-20-23-12-6-5-7-13-23)30(39)35-26-17-10-15-24-14-8-9-16-25(24)26/h5-10,12-17,21-22,27-28,33H,11,18-20H2,1-4H3,(H,34,41)(H,35,39)(H,36,40)(H,37,38)/t22-,27-,28-/m0/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44316
PNG
(MLS-0412151.0001 | cid_44182219 | formic acid;(2S)...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NC1CCc2ccccc2C1
Show InChI InChI=1S/C24H38N4O3/c1-14(2)20(28-24(31)21(15(3)4)27-22(29)16(5)25-6)23(30)26-19-12-11-17-9-7-8-10-18(17)13-19/h7-10,14-16,19-21,25H,11-13H2,1-6H3,(H,26,30)(H,27,29)(H,28,31)/t16-,19?,20-,21-/m0/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44263
PNG
(CHEMBL1622024 | MLS-0390980.0001 | cid_25241637 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C24H36N4O3/c1-15(2)21(27-22(29)16(3)25-4)24(31)28-14-8-13-20(28)23(30)26-19-12-7-10-17-9-5-6-11-18(17)19/h5-6,9,11,15-16,19-21,25H,7-8,10,12-14H2,1-4H3,(H,26,30)(H,27,29)/t16-,19?,20-,21-/m0/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44271
PNG
((2S)-N-[(2S)-1-[(2S)-2-[(2,2-diphenylhydrazinyl)-o...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NN(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H35N5O3/c1-18(2)23(28-24(32)19(3)27-4)26(34)30-17-11-16-22(30)25(33)29-31(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-10,12-15,18-19,22-23,27H,11,16-17H2,1-4H3,(H,28,32)(H,29,33)/t19-,22-,23-/m0/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44314
PNG
((2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)NC1CCc2ccccc2C1
Show InChI InChI=1S/C23H36N4O3/c1-13(2)19(27-23(30)20(14(3)4)26-21(28)15(5)24)22(29)25-18-11-10-16-8-6-7-9-17(16)12-18/h6-9,13-15,18-20H,10-12,24H2,1-5H3,(H,25,29)(H,26,28)(H,27,30)/t15-,18?,19-,20-/m0/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44283
PNG
(CHEMBL1626340 | MLS-0391056.0001 | cid_44176334 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)NNc1ccccc1
Show InChI InChI=1S/C18H29N5O3/c1-11(2)15(21-16(24)12(3)19-5)18(26)20-13(4)17(25)23-22-14-9-7-6-8-10-14/h6-13,15,19,22H,1-5H3,(H,20,26)(H,21,24)(H,23,25)/t12-,13-,15-/m0/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44296
PNG
((2S)-1-[(2S)-5-amino-2-[[(2S)-2-(methylamino)-1-ox...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H35N5O4/c1-18(29-2)25(34)30-21(15-16-23(28)33)27(36)32-17-9-14-22(32)26(35)31-24(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-13,18,21-22,24,29H,9,14-17H2,1-2H3,(H2,28,33)(H,30,34)(H,31,35)/t18-,21-,22-/m0/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44312
PNG
((2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)NNc1ccccc1
Show InChI InChI=1S/C19H31N5O3/c1-11(2)15(21-17(25)13(5)20)18(26)22-16(12(3)4)19(27)24-23-14-9-7-6-8-10-14/h6-13,15-16,23H,20H2,1-5H3,(H,21,25)(H,22,26)(H,24,27)/t13-,15-,16-/m0/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44288
PNG
((2S)-N-[(1S)-1-[(3-fluoroanilino)carbamoyl]-2-meth...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NNc1cccc(F)c1
Show InChI InChI=1S/C20H32FN5O3/c1-11(2)16(23-18(27)13(5)22-6)19(28)24-17(12(3)4)20(29)26-25-15-9-7-8-14(21)10-15/h7-13,16-17,22,25H,1-6H3,(H,23,27)(H,24,28)(H,26,29)/t13-,16-,17-/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44351
PNG
((2S)-6-amino-2-[[(2S)-3-methyl-2-[[(2S)-2-(methyla...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C25H41N5O3/c1-16(2)22(30-23(31)17(3)27-4)25(33)29-21(13-7-8-15-26)24(32)28-20-14-9-11-18-10-5-6-12-19(18)20/h5-6,10,12,16-17,20-22,27H,7-9,11,13-15,26H2,1-4H3,(H,28,32)(H,29,33)(H,30,31)/t17-,20?,21-,22-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44274
PNG
(MLS-0391007.0001 | cid_25241669 | formic acid;(2S)...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C25H38N4O3/c1-5-16(2)22(28-23(30)17(3)26-4)25(32)29-15-9-14-21(29)24(31)27-20-13-8-11-18-10-6-7-12-19(18)20/h6-7,10,12,16-17,20-22,26H,5,8-9,11,13-15H2,1-4H3,(H,27,31)(H,28,30)/t16-,17-,20?,21-,22-/m0/s1
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n/an/a 5.10E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44335
PNG
((2S)-N-isoquinolin-5-yl-1-[(2S)-3-methyl-2-[[(2S)-...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc2cnccc12
Show InChI InChI=1S/C23H31N5O3/c1-14(2)20(27-21(29)15(3)24-4)23(31)28-12-6-9-19(28)22(30)26-18-8-5-7-16-13-25-11-10-17(16)18/h5,7-8,10-11,13-15,19-20,24H,6,9,12H2,1-4H3,(H,26,30)(H,27,29)/t15-,19-,20-/m0/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44259
PNG
((1R)-2-[2-cyclohexyl-2-[[(2S)-2-(methylamino)-1-ox...)
Show SMILES CN[C@@H](C)C(=O)NC(C1CCCCC1)C(=O)C1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H41N3O3/c1-21(32-2)30(36)34-28(24-17-10-5-11-18-24)29(35)25-19-12-20-26(25)31(37)33-27(22-13-6-3-7-14-22)23-15-8-4-9-16-23/h3-4,6-9,13-16,21,24-28,32H,5,10-12,17-20H2,1-2H3,(H,33,37)(H,34,36)/t21-,25?,26+,28?/m0/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44317
PNG
(MLS-0412152.0001 | cid_44182221 | formic acid;(2S)...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)NC1CCc2ccccc2C1
Show InChI InChI=1S/C22H34N4O3/c1-13(2)19(26-20(27)14(3)23-5)22(29)24-15(4)21(28)25-18-11-10-16-8-6-7-9-17(16)12-18/h6-9,13-15,18-19,23H,10-12H2,1-5H3,(H,24,29)(H,25,28)(H,26,27)/t14-,15-,18?,19-/m0/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44319
PNG
((2S)-N-[(1S)-1-[(2S)-2-[(3,4-dichloroanilino)carba...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NNc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H29Cl2N5O3/c1-11(2)17(24-18(28)12(3)23-4)20(30)27-9-5-6-16(27)19(29)26-25-13-7-8-14(21)15(22)10-13/h7-8,10-12,16-17,23,25H,5-6,9H2,1-4H3,(H,24,28)(H,26,29)/t12-,16-,17-/m0/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44329
PNG
(MLS-0412178.0001 | benzyl N-[(4S)-4-[[(2S)-3-methy...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C32H45N5O5/c1-21(2)28(37-29(38)22(3)33-4)31(40)36-27(18-11-19-34-32(41)42-20-23-12-6-5-7-13-23)30(39)35-26-17-10-15-24-14-8-9-16-25(24)26/h5-9,12-14,16,21-22,26-28,33H,10-11,15,17-20H2,1-4H3,(H,34,41)(H,35,39)(H,36,40)(H,37,38)/t22-,26?,27-,28-/m0/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44354
PNG
(MLS-0425210.0001 | benzyl N-[(5S)-5-[[(2S)-3-methy...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)NNc1ccccc1
Show InChI InChI=1S/C29H42N6O5/c1-20(2)25(33-26(36)21(3)30-4)28(38)32-24(27(37)35-34-23-15-9-6-10-16-23)17-11-12-18-31-29(39)40-19-22-13-7-5-8-14-22/h5-10,13-16,20-21,24-25,30,34H,11-12,17-19H2,1-4H3,(H,31,39)(H,32,38)(H,33,36)(H,35,37)/t21-,24-,25-/m0/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44282
PNG
((2S)-1-[(2R)-2-[[(2S)-2-amino-1-oxopropyl]amino]-2...)
Show SMILES C[C@H](N)C(=O)N[C@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H38N4O3/c1-20(30)27(34)32-26(23-16-9-4-10-17-23)29(36)33-19-11-18-24(33)28(35)31-25(21-12-5-2-6-13-21)22-14-7-3-8-15-22/h2-3,5-8,12-15,20,23-26H,4,9-11,16-19,30H2,1H3,(H,31,35)(H,32,34)/t20-,24-,26+/m0/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44313
PNG
((2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)NC1CCc2ccccc2C1
Show InChI InChI=1S/C21H32N4O3/c1-12(2)18(25-19(26)13(3)22)21(28)23-14(4)20(27)24-17-10-9-15-7-5-6-8-16(15)11-17/h5-8,12-14,17-18H,9-11,22H2,1-4H3,(H,23,28)(H,24,27)(H,25,26)/t13-,14-,17?,18-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44310
PNG
(CHEMBL1621070 | MLS-0412098.0001 | cid_44182203 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)NCc1cccc2ccccc12
Show InChI InChI=1S/C23H32N4O3/c1-14(2)20(27-22(29)15(3)24-5)23(30)26-16(4)21(28)25-13-18-11-8-10-17-9-6-7-12-19(17)18/h6-12,14-16,20,24H,13H2,1-5H3,(H,25,28)(H,26,30)(H,27,29)/t15-,16-,20-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44285
PNG
((2S)-N-[(1S)-1-(anilinocarbamoyl)-2-methyl-propyl]...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NNc1ccccc1
Show InChI InChI=1S/C20H33N5O3/c1-12(2)16(22-18(26)14(5)21-6)19(27)23-17(13(3)4)20(28)25-24-15-10-8-7-9-11-15/h7-14,16-17,21,24H,1-6H3,(H,22,26)(H,23,27)(H,25,28)/t14-,16-,17-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44318
PNG
((2S)-N-[(1S)-2-(benzhydrylamino)-2-keto-1-methyl-e...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H34N4O3/c1-16(2)21(28-23(30)17(3)26-5)25(32)27-18(4)24(31)29-22(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-18,21-22,26H,1-5H3,(H,27,32)(H,28,30)(H,29,31)/t17-,18-,21-/m0/s1
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n/an/a 6.10E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44267
PNG
((2S)-N-(diphenylmethyl)-1-[(2S)-2-[[(2S)-2-(methyl...)
Show SMILES CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H34N4O3/c1-4-21(28-24(31)18(2)27-3)26(33)30-17-11-16-22(30)25(32)29-23(19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15,18,21-23,27H,4,11,16-17H2,1-3H3,(H,28,31)(H,29,32)/t18-,21-,22-/m0/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44260
PNG
((2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)-1-o...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C21H32N4O3/c1-14(2)18(24-19(26)15(3)22-4)21(28)25-12-8-11-17(25)20(27)23-13-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-18,22H,8,11-13H2,1-4H3,(H,23,27)(H,24,26)/t15-,17-,18-/m0/s1
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n/an/a 6.60E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44297
PNG
((2S)-1-[(2S)-5-amino-2-[[(2S)-2-(methylamino)-1-ox...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C24H35N5O4/c1-15(26-2)22(31)28-19(12-13-21(25)30)24(33)29-14-6-11-20(29)23(32)27-18-10-5-8-16-7-3-4-9-17(16)18/h3-4,7,9,15,18-20,26H,5-6,8,10-14H2,1-2H3,(H2,25,30)(H,27,32)(H,28,31)/t15-,18?,19-,20-/m0/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44301
PNG
((2S)-N-[(1S)-1-(anilinocarbamoyl)-4-guanidino-buty...)
Show SMILES [#6]-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#7]-c1ccccc1
Show InChI InChI=1S/C21H36N8O3/c1-13(2)17(27-18(30)14(3)24-4)20(32)26-16(11-8-12-25-21(22)23)19(31)29-28-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-17,24,28H,8,11-12H2,1-4H3,(H,26,32)(H,27,30)(H,29,31)(H4,22,23,25)/t14-,16-,17-/m0/s1
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n/an/a 7.10E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44331
PNG
(CHEMBL1620115 | MLS-0412180.0001 | cid_44182255 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)NNc1ccccc1
Show InChI InChI=1S/C18H29N5O4/c1-11(2)15(21-16(25)12(3)19-4)18(27)20-14(10-24)17(26)23-22-13-8-6-5-7-9-13/h5-9,11-12,14-15,19,22,24H,10H2,1-4H3,(H,20,27)(H,21,25)(H,23,26)/t12-,14-,15-/m0/s1
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n/an/a 7.10E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44302
PNG
((2S)-5-(diaminomethylideneamino)-2-[[(2S)-3-methyl...)
Show SMILES [#6]-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-1-[#6]-[#6]-[#6]-c2ccccc-12
Show InChI InChI=1S/C25H41N7O3/c1-15(2)21(32-22(33)16(3)28-4)24(35)31-20(13-8-14-29-25(26)27)23(34)30-19-12-7-10-17-9-5-6-11-18(17)19/h5-6,9,11,15-16,19-21,28H,7-8,10,12-14H2,1-4H3,(H,30,34)(H,31,35)(H,32,33)(H4,26,27,29)/t16-,19?,20-,21-/m0/s1
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n/an/a 7.20E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44359
PNG
((2S)-2-[[(2S)-2-amino-1-oxobutyl]amino]-3-methyl-N...)
Show SMILES CC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C22H30N4O3/c1-5-17(23)21(28)26-19(13(2)3)22(29)24-14(4)20(27)25-18-12-8-10-15-9-6-7-11-16(15)18/h6-14,17,19H,5,23H2,1-4H3,(H,24,29)(H,25,27)(H,26,28)/t14-,17-,19-/m0/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44315
PNG
((2S)-N-[(1S)-1-(benzhydrylcarbamoyl)-2-methyl-prop...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H38N4O3/c1-17(2)22(29-25(32)19(5)28-6)26(33)30-23(18(3)4)27(34)31-24(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-19,22-24,28H,1-6H3,(H,29,32)(H,30,33)(H,31,34)/t19-,22-,23-/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44350
PNG
(MLS-0425206.0001 | benzyl N-[(5S)-5-[[(2S)-3-methy...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C33H47N5O5/c1-22(2)29(38-30(39)23(3)34-4)32(41)37-28(31(40)36-27-19-12-16-25-15-8-9-17-26(25)27)18-10-11-20-35-33(42)43-21-24-13-6-5-7-14-24/h5-9,13-15,17,22-23,27-29,34H,10-12,16,18-21H2,1-4H3,(H,35,42)(H,36,40)(H,37,41)(H,38,39)/t23-,27?,28-,29-/m0/s1
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n/an/a 8.30E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44345
PNG
((2S)-5-amino-2-[[(2S)-3-methyl-2-[[(2S)-2-(methyla...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN)C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C24H39N5O3/c1-15(2)21(29-22(30)16(3)26-4)24(32)28-20(13-8-14-25)23(31)27-19-12-7-10-17-9-5-6-11-18(17)19/h5-6,9,11,15-16,19-21,26H,7-8,10,12-14,25H2,1-4H3,(H,27,31)(H,28,32)(H,29,30)/t16-,19?,20-,21-/m0/s1
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n/an/a 8.40E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44291
PNG
((2S)-N-(diphenylmethyl)-1-[(2S)-4-methyl-2-[[(2S)-...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H38N4O3/c1-19(2)18-23(30-26(33)20(3)29-4)28(35)32-17-11-16-24(32)27(34)31-25(21-12-7-5-8-13-21)22-14-9-6-10-15-22/h5-10,12-15,19-20,23-25,29H,11,16-18H2,1-4H3,(H,30,33)(H,31,34)/t20-,23-,24-/m0/s1
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n/an/a 8.50E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44330
PNG
(MLS-0412179.0001 | cid_44182253 | formic acid;(2S)...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C22H34N4O4/c1-13(2)19(26-20(28)14(3)23-4)22(30)25-18(12-27)21(29)24-17-11-7-9-15-8-5-6-10-16(15)17/h5-6,8,10,13-14,17-19,23,27H,7,9,11-12H2,1-4H3,(H,24,29)(H,25,30)(H,26,28)/t14-,17?,18-,19-/m0/s1
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n/an/a 8.70E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44303
PNG
(MLS-0412066.0001 | cid_44182179 | formic acid;(2S)...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)NNc1ccccc1
Show InChI InChI=1S/C18H28N6O4/c1-11(20-3)16(26)22-14(9-10-15(19)25)18(28)21-12(2)17(27)24-23-13-7-5-4-6-8-13/h4-8,11-12,14,20,23H,9-10H2,1-3H3,(H2,19,25)(H,21,28)(H,22,26)(H,24,27)/t11-,12-,14-/m0/s1
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n/an/a 8.80E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44326
PNG
((2S)-N-[(1S)-1-(anilinocarbamoyl)-2-hydroxy-propyl...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)O)C(=O)NNc1ccccc1
Show InChI InChI=1S/C19H31N5O4/c1-11(2)15(21-17(26)12(3)20-5)18(27)22-16(13(4)25)19(28)24-23-14-9-7-6-8-10-14/h6-13,15-16,20,23,25H,1-5H3,(H,21,26)(H,22,27)(H,24,28)/t12-,13?,15-,16-/m0/s1
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n/an/a 8.90E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44338
PNG
(CHEMBL1622728 | MLS-0391034.0001 | cid_44182269 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc2ccc(C)nc12
Show InChI InChI=1S/C24H33N5O3/c1-14(2)20(28-22(30)16(4)25-5)24(32)29-13-7-10-19(29)23(31)27-18-9-6-8-17-12-11-15(3)26-21(17)18/h6,8-9,11-12,14,16,19-20,25H,7,10,13H2,1-5H3,(H,27,31)(H,28,30)/t16-,19-,20-/m0/s1
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n/an/a 9.10E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44341
PNG
(CHEMBL1621001 | MLS-0391037.0001 | cid_44182275 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2nc(C)ccc2c1
Show InChI InChI=1S/C24H33N5O3/c1-14(2)21(28-22(30)16(4)25-5)24(32)29-12-6-7-20(29)23(31)27-18-10-11-19-17(13-18)9-8-15(3)26-19/h8-11,13-14,16,20-21,25H,6-7,12H2,1-5H3,(H,27,31)(H,28,30)/t16-,20-,21-/m0/s1
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n/an/a 9.40E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44337
PNG
(MLS-0391033.0001 | cid_44182267 | formic acid;(2S)...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1c(C)ccc2ncccc12
Show InChI InChI=1S/C24H33N5O3/c1-14(2)20(27-22(30)16(4)25-5)24(32)29-13-7-9-19(29)23(31)28-21-15(3)10-11-18-17(21)8-6-12-26-18/h6,8,10-12,14,16,19-20,25H,7,9,13H2,1-5H3,(H,27,30)(H,28,31)/t16-,19-,20-/m0/s1
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n/an/a 9.40E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44278
PNG
(CHEMBL1623521 | MLS-0391015.0001 | cid_25241681 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCc2ccccc12
Show InChI InChI=1S/C24H36N4O3/c1-15(2)21(27-22(29)16(3)25-4)24(31)28-14-8-13-20(28)23(30)26-19-12-7-10-17-9-5-6-11-18(17)19/h5-6,9,11,15-16,19-21,25H,7-8,10,12-14H2,1-4H3,(H,26,30)(H,27,29)/t16-,19-,20-,21-/m0/s1
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n/an/a 9.50E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44268
PNG
(MLS-0391001.0001 | cid_25241659 | formic acid;(2S)...)
Show SMILES CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C23H34N4O3/c1-4-18(25-21(28)15(2)24-3)23(30)27-14-8-13-20(27)22(29)26-19-12-7-10-16-9-5-6-11-17(16)19/h5-6,9,11,15,18-20,24H,4,7-8,10,12-14H2,1-3H3,(H,25,28)(H,26,29)/t15-,18-,19?,20-/m0/s1
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n/an/a 9.70E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44328
PNG
((2S)-N-[(1S)-4-amino-1-(anilinocarbamoyl)butyl]-3-...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN)C(=O)NNc1ccccc1
Show InChI InChI=1S/C20H34N6O3/c1-13(2)17(24-18(27)14(3)22-4)20(29)23-16(11-8-12-21)19(28)26-25-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-17,22,25H,8,11-12,21H2,1-4H3,(H,23,29)(H,24,27)(H,26,28)/t14-,16-,17-/m0/s1
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n/an/a 1.03E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44305
PNG
(MLS-0412068.0001 | cid_44182183 | formic acid;(2S)...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)Nc1ccc([N+]([O-])=O)c2ccccc12
Show InChI InChI=1S/C22H29N5O5/c1-12(2)19(26-20(28)13(3)23-5)22(30)24-14(4)21(29)25-17-10-11-18(27(31)32)16-9-7-6-8-15(16)17/h6-14,19,23H,1-5H3,(H,24,30)(H,25,29)(H,26,28)/t13-,14-,19-/m0/s1
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n/an/a 1.05E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44277
PNG
(CHEMBL1621840 | MLS-0391014.0001 | cid_25241679 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2ncccc2c1
Show InChI InChI=1S/C23H31N5O3/c1-14(2)20(27-21(29)15(3)24-4)23(31)28-12-6-8-19(28)22(30)26-17-9-10-18-16(13-17)7-5-11-25-18/h5,7,9-11,13-15,19-20,24H,6,8,12H2,1-4H3,(H,26,30)(H,27,29)/t15-,19-,20-/m0/s1
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n/an/a 1.14E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44306
PNG
((2S)-N-[(1S)-2-[(4-bromo-1-naphthyl)amino]-2-keto-...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)Nc1ccc(Br)c2ccccc12
Show InChI InChI=1S/C22H29BrN4O3/c1-12(2)19(27-20(28)13(3)24-5)22(30)25-14(4)21(29)26-18-11-10-17(23)15-8-6-7-9-16(15)18/h6-14,19,24H,1-5H3,(H,25,30)(H,26,29)(H,27,28)/t13-,14-,19-/m0/s1
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n/an/a 1.17E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44347
PNG
((2S)-5-amino-2-[[(2S)-3-methyl-2-[[(2S)-2-(methyla...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C24H35N5O3/c1-15(2)21(29-22(30)16(3)26-4)24(32)28-20(13-8-14-25)23(31)27-19-12-7-10-17-9-5-6-11-18(17)19/h5-7,9-12,15-16,20-21,26H,8,13-14,25H2,1-4H3,(H,27,31)(H,28,32)(H,29,30)/t16-,20-,21-/m0/s1
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n/an/a 1.18E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44293
PNG
(MLS-0391028.0001 | cid_44182156 | formic acid;(2S)...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C25H38N4O3/c1-16(2)15-21(28-23(30)17(3)26-4)25(32)29-14-8-13-22(29)24(31)27-20-12-7-10-18-9-5-6-11-19(18)20/h5-6,9,11,16-17,20-22,26H,7-8,10,12-15H2,1-4H3,(H,27,31)(H,28,30)/t17-,20?,21-,22-/m0/s1
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n/an/a 1.19E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44275
PNG
(MLS-0391010.0001 | cid_25241671 | formic acid;(2S)...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)NCc1ccccn1
Show InChI InChI=1S/C21H33N5O3/c1-5-14(2)18(25-19(27)15(3)22-4)21(29)26-12-8-10-17(26)20(28)24-13-16-9-6-7-11-23-16/h6-7,9,11,14-15,17-18,22H,5,8,10,12-13H2,1-4H3,(H,24,28)(H,25,27)/t14-,15-,17-,18-/m0/s1
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n/an/a 1.22E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44321
PNG
((2S)-N-[(1S)-1-[(2S)-2-[(benzylamino)carbamoyl]pyr...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NNCc1ccccc1
Show InChI InChI=1S/C21H33N5O3/c1-14(2)18(24-19(27)15(3)22-4)21(29)26-12-8-11-17(26)20(28)25-23-13-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-18,22-23H,8,11-13H2,1-4H3,(H,24,27)(H,25,28)/t15-,17-,18-/m0/s1
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n/an/a 1.23E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44334
PNG
(CHEMBL1622682 | MLS-0391030.0001 | cid_44182261 | ...)
Show SMILES CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)Nc1c(C)ccc2ncccc12
Show InChI InChI=1S/C23H31N5O3/c1-5-17(26-21(29)15(3)24-4)23(31)28-13-7-9-19(28)22(30)27-20-14(2)10-11-18-16(20)8-6-12-25-18/h6,8,10-12,15,17,19,24H,5,7,9,13H2,1-4H3,(H,26,29)(H,27,30)/t15-,17-,19-/m0/s1
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n/an/a 1.34E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44325
PNG
(MLS-0412167.0001 | cid_44182243 | formic acid;(2S)...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)O)C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C23H36N4O4/c1-13(2)19(26-21(29)14(3)24-5)22(30)27-20(15(4)28)23(31)25-18-12-8-10-16-9-6-7-11-17(16)18/h6-7,9,11,13-15,18-20,24,28H,8,10,12H2,1-5H3,(H,25,31)(H,26,29)(H,27,30)/t14-,15?,18?,19-,20-/m0/s1
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n/an/a 1.34E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44355
PNG
(MLS-0425211.0001 | cid_44229040 | formic acid;(4S)...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NNc1ccccc1
Show InChI InChI=1S/C20H32N6O4/c1-12(2)17(24-18(28)13(3)22-4)20(30)23-15(10-11-16(21)27)19(29)26-25-14-8-6-5-7-9-14/h5-9,12-13,15,17,22,25H,10-11H2,1-4H3,(H2,21,27)(H,23,30)(H,24,28)(H,26,29)/t13-,15-,17-/m0/s1
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n/an/a 1.35E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44268
PNG
(MLS-0391001.0001 | cid_25241659 | formic acid;(2S)...)
Show SMILES CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C23H34N4O3/c1-4-18(25-21(28)15(2)24-3)23(30)27-14-8-13-20(27)22(29)26-19-12-7-10-16-9-5-6-11-17(16)19/h5-6,9,11,15,18-20,24H,4,7-8,10,12-14H2,1-3H3,(H,25,28)(H,26,29)/t15-,18-,19?,20-/m0/s1
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n/an/a 1.37E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44294
PNG
(MLS-0391053.0001 | cid_44182158 | formic acid;(3S)...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CC(=O)OC)C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C24H34N4O5/c1-15(25-2)22(30)27-19(14-21(29)33-3)24(32)28-13-7-12-20(28)23(31)26-18-11-6-9-16-8-4-5-10-17(16)18/h4-5,8,10,15,18-20,25H,6-7,9,11-14H2,1-3H3,(H,26,31)(H,27,30)/t15-,18?,19-,20-/m0/s1
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n/an/a 1.45E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44357
PNG
(MLS-0425213.0001 | cid_44229044 | formic acid;(2S)...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C24H37N5O4/c1-14(2)21(29-22(31)15(3)26-4)24(33)28-19(12-13-20(25)30)23(32)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,14-15,18-19,21,26H,7,9,11-13H2,1-4H3,(H2,25,30)(H,27,32)(H,28,33)(H,29,31)/t15-,18?,19-,21-/m0/s1
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n/an/a 1.46E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44323
PNG
((2S)-N-(diphenylmethyl)-1-[(2S)-2-[[(2S)-2-(methyl...)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H34N4O3/c1-21(31-2)28(35)33-27(24-17-10-5-11-18-24)30(37)34-20-12-19-25(34)29(36)32-26(22-13-6-3-7-14-22)23-15-8-4-9-16-23/h3-11,13-18,21,25-27,31H,12,19-20H2,1-2H3,(H,32,36)(H,33,35)/t21-,25-,27-/m0/s1
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n/an/a 1.49E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44307
PNG
((2S)-N-[(1S)-2-(1-anthrylamino)-2-keto-1-methyl-et...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)Nc1cccc2cc3ccccc3cc12
Show InChI InChI=1S/C26H32N4O3/c1-15(2)23(30-24(31)16(3)27-5)26(33)28-17(4)25(32)29-22-12-8-11-20-13-18-9-6-7-10-19(18)14-21(20)22/h6-17,23,27H,1-5H3,(H,28,33)(H,29,32)(H,30,31)/t16-,17-,23-/m0/s1
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n/an/a 1.66E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44256
PNG
(MLS-0390871.0001 | N-(diphenylmethyl)-1-[2-[2-(met...)
Show SMILES CNC(C)C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H36N4O3/c1-22(32-2)29(36)33-26(21-23-13-6-3-7-14-23)31(38)35-20-12-19-27(35)30(37)34-28(24-15-8-4-9-16-24)25-17-10-5-11-18-25/h3-11,13-18,22,26-28,32H,12,19-21H2,1-2H3,(H,33,36)(H,34,37)
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n/an/a 1.67E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44254
PNG
(MLS-0390866.0001 | cid_25181204)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CNC(C)C(=O)NC(C1CCCCC1)C(=O)N1CCCC1C(=O)NC(C(c1ccccc1)c1ccccc1)C(=O)NCCCCCNC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(C)NC)C1CCCCC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C69H94N10O8.2C2HF3O2/c1-46(70-3)62(80)74-58(52-36-20-9-21-37-52)68(86)78-44-26-40-54(78)64(82)76-60(56(48-28-12-5-13-29-48)49-30-14-6-15-31-49)66(84)72-42-24-11-25-43-73-67(85)61(57(50-32-16-7-17-33-50)51-34-18-8-19-35-51)77-65(83)55-41-27-45-79(55)69(87)59(53-38-22-10-23-39-53)75-63(81)47(2)71-4;2*3-2(4,5)1(6)7/h5-8,12-19,28-35,46-47,52-61,70-71H,9-11,20-27,36-45H2,1-4H3,(H,72,84)(H,73,85)(H,74,80)(H,75,81)(H,76,82)(H,77,83);2*(H,6,7)
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n/an/a 1.68E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44280
PNG
((2S)-1-[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-2...)
Show SMILES C[C@H](N)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1
Show InChI InChI=1S/C23H33N3O4/c1-16(24)21(27)25-20(18-11-6-3-7-12-18)22(28)26-14-8-13-19(26)23(29)30-15-17-9-4-2-5-10-17/h2,4-5,9-10,16,18-20H,3,6-8,11-15,24H2,1H3,(H,25,27)/t16-,19-,20-/m0/s1
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n/an/a 1.75E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44258
PNG
((2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)-1-o...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1ccccn1
Show InChI InChI=1S/C20H31N5O3/c1-13(2)17(24-18(26)14(3)21-4)20(28)25-11-7-9-16(25)19(27)23-12-15-8-5-6-10-22-15/h5-6,8,10,13-14,16-17,21H,7,9,11-12H2,1-4H3,(H,23,27)(H,24,26)/t14-,16-,17-/m0/s1
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n/an/a 1.79E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44270
PNG
(MLS-0391003.0001 | cid_25241661 | formic acid;(2S)...)
Show SMILES CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)NCc1ccccn1
Show InChI InChI=1S/C19H29N5O3/c1-4-15(23-17(25)13(2)20-3)19(27)24-11-7-9-16(24)18(26)22-12-14-8-5-6-10-21-14/h5-6,8,10,13,15-16,20H,4,7,9,11-12H2,1-3H3,(H,22,26)(H,23,25)/t13-,15-,16-/m0/s1
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n/an/a 1.86E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44339
PNG
(CHEMBL1625449 | MLS-0391035.0001 | cid_44182271 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1cccnc1
Show InChI InChI=1S/C20H31N5O3/c1-13(2)17(24-18(26)14(3)21-4)20(28)25-10-6-8-16(25)19(27)23-12-15-7-5-9-22-11-15/h5,7,9,11,13-14,16-17,21H,6,8,10,12H2,1-4H3,(H,23,27)(H,24,26)/t14-,16-,17-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44262
PNG
(MLS-0390973.0001 | benzyl (2S)-1-[(2S)-3-methyl-2-...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H31N3O4/c1-14(2)18(23-19(25)15(3)22-4)20(26)24-12-8-11-17(24)21(27)28-13-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-18,22H,8,11-13H2,1-4H3,(H,23,25)/t15-,17-,18-/m0/s1
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n/an/a 2.26E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44279
PNG
((2S)-1-[(2R)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3...)
Show SMILES CC(C)[C@@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1
Show InChI InChI=1S/C20H29N3O4/c1-13(2)17(22-18(24)14(3)21)19(25)23-11-7-10-16(23)20(26)27-12-15-8-5-4-6-9-15/h4-6,8-9,13-14,16-17H,7,10-12,21H2,1-3H3,(H,22,24)/t14-,16-,17+/m0/s1
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n/an/a 2.36E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44342
PNG
(MLS-0391063.0001 | cid_44182279 | formic acid;(2S)...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)Nc1cccc2ncccc12
Show InChI InChI=1S/C21H28N6O4/c1-12(23-3)19(29)27-17(9-10-18(22)28)21(31)25-13(2)20(30)26-16-8-4-7-15-14(16)6-5-11-24-15/h4-8,11-13,17,23H,9-10H2,1-3H3,(H2,22,28)(H,25,31)(H,26,30)(H,27,29)/t12-,13-,17-/m0/s1
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n/an/a 2.41E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44356
PNG
(MLS-0425212.0001 | cid_44229042 | formic acid;(2S)...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C24H33N5O4/c1-14(2)21(29-22(31)15(3)26-4)24(33)28-19(12-13-20(25)30)23(32)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-11,14-15,19,21,26H,12-13H2,1-4H3,(H2,25,30)(H,27,32)(H,28,33)(H,29,31)/t15-,19-,21-/m0/s1
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n/an/a 2.68E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44344
PNG
((2S)-N-[(3S)-1-[(4,5-diphenyl-1,3-oxazol-2-yl)meth...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCCN(Cc2nc(c(o2)-c2ccccc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C26H30N4O3/c1-18(27-2)25(31)28-21-15-9-10-16-30(26(21)32)17-22-29-23(19-11-5-3-6-12-19)24(33-22)20-13-7-4-8-14-20/h3-8,11-14,18,21,27H,9-10,15-17H2,1-2H3,(H,28,31)/t18-,21-/m0/s1
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n/an/a 2.73E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44261
PNG
(CHEMBL1618026 | MLS-0390972.0001 | cid_25241633 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1ccncc1
Show InChI InChI=1S/C20H31N5O3/c1-13(2)17(24-18(26)14(3)21-4)20(28)25-11-5-6-16(25)19(27)23-12-15-7-9-22-10-8-15/h7-10,13-14,16-17,21H,5-6,11-12H2,1-4H3,(H,23,27)(H,24,26)/t14-,16-,17-/m0/s1
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n/an/a 3.63E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44290
PNG
((2S)-2-(methylamino)-N-[(3S)-1-[(2R)-1-(1-naphthal...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCCN([C@H](C)C(=O)Nc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C23H30N4O3/c1-15(24-3)21(28)26-20-12-6-7-14-27(23(20)30)16(2)22(29)25-19-13-8-10-17-9-4-5-11-18(17)19/h4-5,8-11,13,15-16,20,24H,6-7,12,14H2,1-3H3,(H,25,29)(H,26,28)/t15-,16+,20-/m0/s1
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n/an/a 3.87E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44292
PNG
(MLS-0391027.0001 | benzyl (2S)-1-[(2S)-4-methoxy-2...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CC(=O)OC)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H29N3O6/c1-14(22-2)19(26)23-16(12-18(25)29-3)20(27)24-11-7-10-17(24)21(28)30-13-15-8-5-4-6-9-15/h4-6,8-9,14,16-17,22H,7,10-13H2,1-3H3,(H,23,26)/t14-,16-,17-/m0/s1
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n/an/a 4.10E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44352
PNG
((2S)-1-[(2S)-2-[[(2S)-2-amino-3-methyl-1-oxobutyl]...)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C25H34N4O3/c1-15(2)21(26)24(31)28-22(16(3)4)25(32)29-14-8-13-20(29)23(30)27-19-12-7-10-17-9-5-6-11-18(17)19/h5-7,9-12,15-16,20-22H,8,13-14,26H2,1-4H3,(H,27,30)(H,28,31)/t20-,21-,22-/m0/s1
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n/an/a 4.35E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44322
PNG
(MLS-0412157.0001 | cid_44182231 | formic acid;(2S)...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCCN([C@H](C)C(=O)NNc2ccccc2)C1=O
Show InChI InChI=1S/C19H29N5O3/c1-13(20-3)17(25)21-16-11-7-8-12-24(19(16)27)14(2)18(26)23-22-15-9-5-4-6-10-15/h4-6,9-10,13-14,16,20,22H,7-8,11-12H2,1-3H3,(H,21,25)(H,23,26)/t13-,14+,16-/m0/s1
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n/an/a 4.81E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44324
PNG
((2S)-N-[(1S)-1-[(2S)-2-(4,5-diphenyloxazol-2-yl)py...)
Show SMILES CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1c1nc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C27H32N4O3/c1-4-21(29-25(32)18(2)28-3)27(33)31-17-11-16-22(31)26-30-23(19-12-7-5-8-13-19)24(34-26)20-14-9-6-10-15-20/h5-10,12-15,18,21-22,28H,4,11,16-17H2,1-3H3,(H,29,32)/t18-,21-,22-/m0/s1
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n/an/a 5.90E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44304
PNG
(MLS-0412067.0001 | cid_44182181 | formic acid;(2S)...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCCN(CC(=O)Nc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C22H28N4O3/c1-15(23-2)21(28)25-19-11-5-6-13-26(22(19)29)14-20(27)24-18-12-7-9-16-8-3-4-10-17(16)18/h3-4,7-10,12,15,19,23H,5-6,11,13-14H2,1-2H3,(H,24,27)(H,25,28)/t15-,19-/m0/s1
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n/an/a 5.96E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44309
PNG
(MLS-0412083.0001 | cid_44182197 | formic acid;(2S)...)
Show SMILES CN[C@@H](C)C(=O)Nc1cccn(CC(=O)NNc2ccccc2)c1=O
Show InChI InChI=1S/C17H21N5O3/c1-12(18-2)16(24)19-14-9-6-10-22(17(14)25)11-15(23)21-20-13-7-4-3-5-8-13/h3-10,12,18,20H,11H2,1-2H3,(H,19,24)(H,21,23)/t12-/m0/s1
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n/an/a 6.53E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44343
PNG
((2S)-N-[(1S)-1-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)c1nc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C26H32N4O3/c1-16(2)21(29-24(31)17(3)27-5)25(32)28-18(4)26-30-22(19-12-8-6-9-13-19)23(33-26)20-14-10-7-11-15-20/h6-18,21,27H,1-5H3,(H,28,32)(H,29,31)/t17-,18-,21-/m0/s1
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n/an/a 7.38E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44349
PNG
(MLS-0412201.0001 | cid_44229028 | formic acid;(2S)...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)O)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C23H32N4O4/c1-13(2)19(26-21(29)14(3)24-5)22(30)27-20(15(4)28)23(31)25-18-12-8-10-16-9-6-7-11-17(16)18/h6-15,19-20,24,28H,1-5H3,(H,25,31)(H,26,29)(H,27,30)/t14-,15?,19-,20-/m0/s1
PDB

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UniChem

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n/an/a 9.15E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44300
PNG
(MLS-0412061.0001 | cid_44182173 | formic acid;(2S)...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCCN(CC(=O)NNc2ccccc2)C1=O
Show InChI InChI=1S/C18H27N5O3/c1-13(19-2)17(25)20-15-10-6-7-11-23(18(15)26)12-16(24)22-21-14-8-4-3-5-9-14/h3-5,8-9,13,15,19,21H,6-7,10-12H2,1-2H3,(H,20,25)(H,22,24)/t13-,15-/m0/s1
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n/an/a 1.14E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44265
PNG
(MLS-0390983.0001 | cid_25241641 | formic acid;(2S)...)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C24H36N4O3/c1-15(2)21(27-22(29)16(3)25-4)24(31)28-14-8-13-20(28)23(30)26-19-12-7-10-17-9-5-6-11-18(17)19/h5-6,9,11,15-16,19-21,25H,7-8,10,12-14H2,1-4H3,(H,26,30)(H,27,29)/t16-,19?,20-,21+/m0/s1
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n/an/a 1.54E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44348
PNG
(MLS-0412200.0001 | cid_44229026 | formic acid;(2S)...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C22H30N4O4/c1-13(2)19(26-20(28)14(3)23-4)22(30)25-18(12-27)21(29)24-17-11-7-9-15-8-5-6-10-16(15)17/h5-11,13-14,18-19,23,27H,12H2,1-4H3,(H,24,29)(H,25,30)(H,26,28)/t14-,18-,19-/m0/s1
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n/an/a 1.58E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM44308
PNG
(MLS-0412082.0001 | cid_44182195 | formic acid;(2S)...)
Show SMILES CN[C@@H](C)C(=O)Nc1cccn(CC(=O)NC2CCCc3ccccc23)c1=O
Show InChI InChI=1S/C21H26N4O3/c1-14(22-2)20(27)24-18-11-6-12-25(21(18)28)13-19(26)23-17-10-5-8-15-7-3-4-9-16(15)17/h3-4,6-7,9,11-12,14,17,22H,5,8,10,13H2,1-2H3,(H,23,26)(H,24,27)/t14-,17?/m0/s1
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n/an/a 1.82E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%