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Compile Data Set for Download or QSAR

Found 58 hits Enz. Inhib. hit(s) with all data for entry = 50043163   
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
X-linked inhibitor of apoptosis protein (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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60n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR3 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50388975
PNG
(CHEMBL2063869)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1
Show InChI InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1
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260n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR3 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50436878
PNG
(CHEMBL2403872)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)N[C@@H]1CCCc2ccccc12
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,(H,29,35)(H,30,36)(H,31,34)(H3,26,28,32)/t16-,19+,20-,21-/m0/s1
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290n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR3 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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390n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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440n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50436877
PNG
(CHEMBL2401764)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc12
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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530n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR3 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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640n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50436875
PNG
(CHEMBL2401761)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc12
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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670n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR3 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50436874
PNG
(CHEMBL2403871)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C22H34N4O3/c1-13(2)19(26-20(27)14(3)23-5)22(29)24-15(4)21(28)25-18-12-8-10-16-9-6-7-11-17(16)18/h6-7,9,11,13-15,18-19,23H,8,10,12H2,1-5H3,(H,24,29)(H,25,28)(H,26,27)/t14-,15-,18+,19-/m0/s1
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780n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR3 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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1.08E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR3 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50436890
PNG
(CHEMBL2401762)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN)C(=O)N[C@@H]1CCCc2ccccc12
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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1.13E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR3 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50436889
PNG
(CHEMBL1627154)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NNc1ccccc1
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,(H,25,33)(H,26,31)(H,28,32)(H3,22,24,29)/t14-,16-,17-/m0/s1
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1.18E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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1.37E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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1.51E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR3 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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1.70E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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1.74E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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1.83E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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1.88E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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1.94E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50436883
PNG
(CHEMBL2403873)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1CCCc2ccccc12
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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2.02E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR3 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50436882
PNG
(CHEMBL2401763)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CCCc2ccccc12
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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2.05E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR3 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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2.29E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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2.38E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50436879
PNG
(CHEMBL2401766)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C21H28N4O4/c1-12(2)18(25-20(28)16(22)11-26)21(29)23-13(3)19(27)24-17-10-6-8-14-7-4-5-9-15(14)17/h4-10,12-13,16,18,26H,11,22H2,1-3H3,(H,23,29)(H,24,27)(H,25,28)/t13-,16-,18-/m0/s1
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2.43E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50436874
PNG
(CHEMBL2403871)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C22H34N4O3/c1-13(2)19(26-20(27)14(3)23-5)22(29)24-15(4)21(28)25-18-12-8-10-16-9-6-7-11-17(16)18/h6-7,9,11,13-15,18-19,23H,8,10,12H2,1-5H3,(H,24,29)(H,25,28)(H,26,27)/t14-,15-,18+,19-/m0/s1
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2.65E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50436877
PNG
(CHEMBL2401764)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc12
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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2.75E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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3.00E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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3.04E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50436878
PNG
(CHEMBL2403872)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)N[C@@H]1CCCc2ccccc12
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,(H,29,35)(H,30,36)(H,31,34)(H3,26,28,32)/t16-,19+,20-,21-/m0/s1
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3.51E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50436898
PNG
(CHEMBL1618558)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NNc1ccccc1
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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3.65E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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3.78E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50436875
PNG
(CHEMBL2401761)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc12
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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4.30E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50436890
PNG
(CHEMBL2401762)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN)C(=O)N[C@@H]1CCCc2ccccc12
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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4.36E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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4.54E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50436882
PNG
(CHEMBL2401763)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CCCc2ccccc12
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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4.57E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50436897
PNG
(CHEMBL2401765)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](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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4.67E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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5.46E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50436889
PNG
(CHEMBL1627154)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NNc1ccccc1
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,(H,25,33)(H,26,31)(H,28,32)(H3,22,24,29)/t14-,16-,17-/m0/s1
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8.79E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR3 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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9.82E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR3 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50436883
PNG
(CHEMBL2403873)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1CCCc2ccccc12
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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1.08E+4n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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1.31E+4n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50436898
PNG
(CHEMBL1618558)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NNc1ccccc1
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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2.12E+4n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR3 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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2.15E+4n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR3 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50388975
PNG
(CHEMBL2063869)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1
Show InChI InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1
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2.98E+4n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50436897
PNG
(CHEMBL2401765)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](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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3.01E+4n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR3 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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3.42E+4n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR3 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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3.90E+4n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR3 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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>3.90E+4n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR3 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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>3.90E+4n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR3 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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>3.90E+4n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR3 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
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