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Compile Data Set for Download or QSAR

Found 122 hits with Last Name = 'finlay' and Initial = 'd'   
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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55n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP BIR3 domain by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
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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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))
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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120n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP BIR3 domain by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM13151
PNG
((2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylb...)
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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250n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP BIR3 domain by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
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))
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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350n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP BIR3 domain by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
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))
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 by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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420n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP BIR3 domain by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50348195
PNG
(CHEMBL1800078)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=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)/t19-,22-,23-/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 BIR3 domain by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
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))
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 by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
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))
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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540n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP BIR3 domain by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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590n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP BIR3 domain by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
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))
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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650n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP BIR3 domain by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50348191
PNG
(CHEMBL1800335)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H40N4O3/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/h3-4,6-9,13-16,21,24-27,31H,5,10-12,17-20H2,1-2H3,(H,32,36)(H,33,35)/t21-,25-,27-/m0/s1
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660n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP BIR3 domain by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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660n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP BIR3 domain by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
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))
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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700n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP BIR3 domain by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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740n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP BIR2 domain by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
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))
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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800n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP BIR3 domain by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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990n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP BIR2 domain by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50348193
PNG
(CHEMBL1800336)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=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)/t22-,26-,27-/m0/s1
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1.05E+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 by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
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))
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 by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
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))
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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1.29E+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 by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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1.29E+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 by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM13151
PNG
((2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylb...)
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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1.36E+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 by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
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 by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
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))
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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1.40E+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 by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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1.40E+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 by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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1.50E+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 by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
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))
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 by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (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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1.67E+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 by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
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))
BDBM50348195
PNG
(CHEMBL1800078)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=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)/t19-,22-,23-/m0/s1
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1.84E+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 by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
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))
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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1.91E+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 by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
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))
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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2.01E+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 by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
More data for this
Ligand-Target Pair
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