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PubChem AID 1018

Compile Data Set for Download or QSAR

Found 212 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
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM32068
PNG
(1-ethyl-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,...)
Show SMILES CCn1c(CSc2nnc(-c3cccnc3)n2-c2ccccc2C)nc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C25H22N6O2S/c1-3-30-21-11-10-17(24(32)33)13-19(21)27-22(30)15-34-25-29-28-23(18-8-6-12-26-14-18)31(25)20-9-5-4-7-16(20)2/h4-14H,3,15H2,1-2H3,(H,32,33)
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n/an/a 781n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM55315
PNG
(MLS000065641 | N-[4-ethyl-5-methyl-3-(piperidine-1...)
Show SMILES CCc1c(C)sc(NC(=O)OC)c1C(=O)N1CCCCC1
Show InChI InChI=1S/C15H22N2O3S/c1-4-11-10(2)21-13(16-15(19)20-3)12(11)14(18)17-8-6-5-7-9-17/h4-9H2,1-3H3,(H,16,19)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM38667
PNG
((2R)-2-(1-ketoisoindolin-2-yl)-2-phenyl-acetic aci...)
Show SMILES OC(=O)[C@H](N1Cc2ccccc2C1=O)c1ccccc1
Show InChI InChI=1S/C16H13NO3/c18-15-13-9-5-4-8-12(13)10-17(15)14(16(19)20)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,19,20)/t14-/m1/s1
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n/an/a 2.83E+4n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59417
PNG
((3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d...)
Show SMILES CCCCSc1nnc-2c(OC(Nc3ccccc-23)C(=O)c2ccccc2)n1
Show InChI InChI=1S/C21H20N4O2S/c1-2-3-13-28-21-23-19-17(24-25-21)15-11-7-8-12-16(15)22-20(27-19)18(26)14-9-5-4-6-10-14/h4-12,20,22H,2-3,13H2,1H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59341
PNG
(3-[(Benzyl-{1-[1-(2-methoxy-ethyl)-1H-tetrazol-5-y...)
Show SMILES COCCn1nnnc1C(C(C)C)N(Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O
Show InChI InChI=1S/C26H32N6O3/c1-18(2)24(25-28-29-30-32(25)12-13-34-3)31(16-19-8-6-5-7-9-19)17-21-14-20-15-22(35-4)10-11-23(20)27-26(21)33/h5-11,14-15,18,24H,12-13,16-17H2,1-4H3,(H,27,33)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59342
PNG
(MLS000071150 | N-(5-chloranyl-4-methoxy-6-methyl-p...)
Show SMILES COc1nc(NS(=O)(=O)c2ccc(C)cc2)nc(C)c1Cl
Show InChI InChI=1S/C13H14ClN3O3S/c1-8-4-6-10(7-5-8)21(18,19)17-13-15-9(2)11(14)12(16-13)20-3/h4-7H,1-3H3,(H,15,16,17)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59356
PNG
(MLS000087389 | N-(2-thenyl)-5,6,7,8-tetrahydro-4H-...)
Show SMILES O=C(NCc1cccs1)c1noc2CCCCCc12
Show InChI InChI=1S/C14H16N2O2S/c17-14(15-9-10-5-4-8-19-10)13-11-6-2-1-3-7-12(11)18-16-13/h4-5,8H,1-3,6-7,9H2,(H,15,17)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59361
PNG
(2-[(6-bromanyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfa...)
Show SMILES Brc1cnc2nc(SCc3ccccc3C#N)[nH]c2c1
Show InChI InChI=1S/C14H9BrN4S/c15-11-5-12-13(17-7-11)19-14(18-12)20-8-10-4-2-1-3-9(10)6-16/h1-5,7H,8H2,(H,17,18,19)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59362
PNG
(MLS000049866 | N-(3-chloro-6-hydroxy-5-isopropyl-2...)
Show SMILES COc1ccccc1-c1nnc(SCC(=O)NCc2c(C)c(Cl)cc(C(C)C)c2O)o1
Show InChI InChI=1S/C22H24ClN3O4S/c1-12(2)15-9-17(23)13(3)16(20(15)28)10-24-19(27)11-31-22-26-25-21(30-22)14-7-5-6-8-18(14)29-4/h5-9,12,28H,10-11H2,1-4H3,(H,24,27)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59364
PNG
(2-(methanesulfonamido)benzene-1,4-dicarboxylic aci...)
Show SMILES COC(=O)c1ccc(C(=O)OC)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C11H13NO6S/c1-17-10(13)7-4-5-8(11(14)18-2)9(6-7)12-19(3,15)16/h4-6,12H,1-3H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59369
PNG
(2-[(4-piperidin-1-ylcarbonylphenyl)carbamoyl]bicyc...)
Show SMILES OC(=O)C1C2CC(C=C2)C1C(=O)Nc1ccc(cc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C21H24N2O4/c24-19(17-14-4-5-15(12-14)18(17)21(26)27)22-16-8-6-13(7-9-16)20(25)23-10-2-1-3-11-23/h4-9,14-15,17-18H,1-3,10-12H2,(H,22,24)(H,26,27)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59373
PNG
(3-amino-4-(cyclohexylamino)-1-benzopyran-2-one | 3...)
Show SMILES Nc1c(NC2CCCCC2)c2ccccc2oc1=O
Show InChI InChI=1S/C15H18N2O2/c16-13-14(17-10-6-2-1-3-7-10)11-8-4-5-9-12(11)19-15(13)18/h4-5,8-10,17H,1-3,6-7,16H2
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59374
PNG
(2-(2-furanylmethylamino)-4-pyrido[3,2-e][1,3]thiaz...)
Show SMILES O=c1nc(NCc2ccco2)sc2ncccc12
Show InChI InChI=1S/C12H9N3O2S/c16-10-9-4-1-5-13-11(9)18-12(15-10)14-7-8-3-2-6-17-8/h1-6H,7H2,(H,14,15,16)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM39037
PNG
(3-(3-p-phenetyl-1,2,4-oxadiazol-5-yl)propionic aci...)
Show SMILES CCOc1ccc(cc1)-c1noc(CCC(O)=O)n1
Show InChI InChI=1S/C13H14N2O4/c1-2-18-10-5-3-9(4-6-10)13-14-11(19-15-13)7-8-12(16)17/h3-6H,2,7-8H2,1H3,(H,16,17)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59377
PNG
(2-(3-keto-6-methyl-4H-1,4-benzoxazin-2-yl)acetic a...)
Show SMILES Cc1ccc2OC(CC(O)=O)C(=O)Nc2c1
Show InChI InChI=1S/C11H11NO4/c1-6-2-3-8-7(4-6)12-11(15)9(16-8)5-10(13)14/h2-4,9H,5H2,1H3,(H,12,15)(H,13,14)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59378
PNG
(2-(1,1,4-triketo-2,2-dimethyl-3H-1,5-benzothiazepi...)
Show SMILES CC1(C)CC(=O)N(CC(O)=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C13H15NO5S/c1-13(2)7-11(15)14(8-12(16)17)9-5-3-4-6-10(9)20(13,18)19/h3-6H,7-8H2,1-2H3,(H,16,17)
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Sanford-Burnham Center for Chemical Genomics

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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59379
PNG
(MLS000115121 | N-(1-isopropyl-2-methyl-propyl)-2-(...)
Show SMILES CC(C)C(NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(C)C
Show InChI InChI=1S/C16H22N2O4S/c1-10(2)15(11(3)4)17-14(19)9-18-16(20)12-7-5-6-8-13(12)23(18,21)22/h5-8,10-11,15H,9H2,1-4H3,(H,17,19)
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Sanford-Burnham Center for Chemical Genomics

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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM56252
PNG
(2-[[3-(4-methoxyphenyl)-4-oxidanylidene-6,7-dihydr...)
Show SMILES COc1ccc(cc1)-n1c(SCC(=O)Nc2cc(C)on2)nc2CCSc2c1=O
Show InChI InChI=1S/C19H18N4O4S2/c1-11-9-15(22-27-11)21-16(24)10-29-19-20-14-7-8-28-17(14)18(25)23(19)12-3-5-13(26-2)6-4-12/h3-6,9H,7-8,10H2,1-2H3,(H,21,22,24)
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Sanford-Burnham Center for Chemical Genomics

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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59393
PNG
(4-(5-bromanylfuran-2-yl)carbonyl-7-methyl-5-phenyl...)
Show SMILES Cc1ccc2NC(=O)CN(C(c3ccccc3)c2c1)C(=O)c1ccc(Br)o1
Show InChI InChI=1S/C21H17BrN2O3/c1-13-7-8-16-15(11-13)20(14-5-3-2-4-6-14)24(12-19(25)23-16)21(26)17-9-10-18(22)27-17/h2-11,20H,12H2,1H3,(H,23,25)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59400
PNG
(1,3-Dicyclohexyl-1-(5,6-dimethyl-4-oxo-3,4-dihydro...)
Show SMILES Cc1sc2nc(CN(C3CCCCC3)C(=O)NC3CCCCC3)[nH]c(=O)c2c1C
Show InChI InChI=1S/C22H32N4O2S/c1-14-15(2)29-21-19(14)20(27)24-18(25-21)13-26(17-11-7-4-8-12-17)22(28)23-16-9-5-3-6-10-16/h16-17H,3-13H2,1-2H3,(H,23,28)(H,24,25,27)
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Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59439
PNG
(MLS000585933 | N-[(3-bromobenzylidene)amino]-2-(N-...)
Show SMILES Cc1ccc(cc1)N(CC(=O)NN=Cc1cccc(Br)c1)S(C)(=O)=O
Show InChI InChI=1S/C17H18BrN3O3S/c1-13-6-8-16(9-7-13)21(25(2,23)24)12-17(22)20-19-11-14-4-3-5-15(18)10-14/h3-11H,12H2,1-2H3,(H,20,22)
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Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59454
PNG
(9a-methylquinolizine-1,2,3,4-tetracarboxylic acid ...)
Show SMILES COC(=O)C1=C(C(=O)OC)C(C(=O)OC)=C(C(=O)OC)C2(C)C=CC=CN12
Show InChI InChI=1S/C18H19NO8/c1-18-8-6-7-9-19(18)13(17(23)27-5)11(15(21)25-3)10(14(20)24-2)12(18)16(22)26-4/h6-9H,1-5H3
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Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59474
PNG
(MLS000699330 | N'-(2,5-dimethoxybenzylidene)-5...)
Show SMILES COc1ccc(OC)c(C=NNC(=O)c2ccc(Cn3cc(cn3)[N+]([O-])=O)o2)c1
Show InChI InChI=1S/C18H17N5O6/c1-27-14-3-5-16(28-2)12(7-14)8-19-21-18(24)17-6-4-15(29-17)11-22-10-13(9-20-22)23(25)26/h3-10H,11H2,1-2H3,(H,21,24)
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Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59483
PNG
(MLS000735433 | SMR000319490 | [1-[(1-methylpyrazol...)
Show SMILES COc1ccc(CC2(CO)CCN(Cc3cnn(C)c3)CC2)cc1
Show InChI InChI=1S/C19H27N3O2/c1-21-13-17(12-20-21)14-22-9-7-19(15-23,8-10-22)11-16-3-5-18(24-2)6-4-16/h3-6,12-13,23H,7-11,14-15H2,1-2H3
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Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59484
PNG
((E)-N-benzyl-N-ethyl-3-(2-nitrophenyl)acrylamide |...)
Show SMILES CCN(Cc1ccccc1)C(=O)\C=C\c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C18H18N2O3/c1-2-19(14-15-8-4-3-5-9-15)18(21)13-12-16-10-6-7-11-17(16)20(22)23/h3-13H,2,14H2,1H3/b13-12+
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Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59494
PNG
(5-[2-hydroxyethyl(isopropyl)amino]-1,1-diphenyl-pe...)
Show SMILES CC(C)N(CCO)CC#CCC(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-19(2)23(17-18-24)16-10-9-15-22(25,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,19,24-25H,15-18H2,1-2H3
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Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59502
PNG
(2-[N-methyl-2-nitro-4-(trifluoromethyl)anilino]ace...)
Show SMILES CN(CC(O)=O)c1ccc(cc1[N+]([O-])=O)C(F)(F)F
Show InChI InChI=1S/C10H9F3N2O4/c1-14(5-9(16)17)7-3-2-6(10(11,12)13)4-8(7)15(18)19/h2-4H,5H2,1H3,(H,16,17)
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Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59503
PNG
(1-(2-phenyl-1,3-thiazol-5-yl)-1-ethanone | 1-(2-ph...)
Show SMILES CC(=O)c1cnc(s1)-c1ccccc1
Show InChI InChI=1S/C11H9NOS/c1-8(13)10-7-12-11(14-10)9-5-3-2-4-6-9/h2-7H,1H3
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Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59505
PNG
(2-[(1,1-diketothiolan-3-yl)amino]-N-(3,4-dimethylp...)
Show SMILES Cc1ccc(NC(=O)CNC2CCS(=O)(=O)C2)cc1C
Show InChI InChI=1S/C14H20N2O3S/c1-10-3-4-12(7-11(10)2)16-14(17)8-15-13-5-6-20(18,19)9-13/h3-4,7,13,15H,5-6,8-9H2,1-2H3,(H,16,17)
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Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59507
PNG
(MLS001006868 | N-[(4-phenoxybenzylidene)amino]carb...)
Show SMILES CCOC(=O)NN=Cc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H16N2O3/c1-2-20-16(19)18-17-12-13-8-10-15(11-9-13)21-14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,18,19)
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Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59350
PNG
(MLS000092383 | N-(2,3-dimethylcyclohexyl)-1-methyl...)
Show SMILES CC1CCCC(NC(=O)c2cn(C)c3ccc(cc3c2=O)S(=O)(=O)N2CCCC2)C1C
Show InChI InChI=1S/C23H31N3O4S/c1-15-7-6-8-20(16(15)2)24-23(28)19-14-25(3)21-10-9-17(13-18(21)22(19)27)31(29,30)26-11-4-5-12-26/h9-10,13-16,20H,4-8,11-12H2,1-3H3,(H,24,28)
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Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM37302
PNG
(MLS000087458 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1ccc2-c3onc(C(=O)Nc4cc(C)n(Cc5ccc(Cl)cc5)n4)c3CCc2c1
Show InChI InChI=1S/C24H21ClN4O3/c1-14-11-21(27-29(14)13-15-3-6-17(25)7-4-15)26-24(30)22-20-9-5-16-12-18(31-2)8-10-19(16)23(20)32-28-22/h3-4,6-8,10-12H,5,9,13H2,1-2H3,(H,26,27,30)
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Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM34414
PNG
(2-methyl-4-(3-phenyl[1,2,4]triazolo[3,4-b][1,3,4]t...)
Show SMILES Cc1cc(-c2nn3c(nnc3s2)-c2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C19H13N5S/c1-12-11-15(14-9-5-6-10-16(14)20-12)18-23-24-17(21-22-19(24)25-18)13-7-3-2-4-8-13/h2-11H,1H3
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Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM56204
PNG
(2-keto-3,8-dimethyl-N-(2-pyridylmethyl)-1-oxaspiro...)
Show SMILES CC1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCc1ccccn1
Show InChI InChI=1S/C18H22N2O3/c1-12-6-8-18(9-7-12)15(13(2)17(22)23-18)16(21)20-11-14-5-3-4-10-19-14/h3-5,10,12H,6-9,11H2,1-2H3,(H,20,21)
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Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59386
PNG
(1-(8-quinolinylsulfonyl)-N-(3,4,5-trimethoxyphenyl...)
Show SMILES COc1cc(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)cc(OC)c1OC
Show InChI InChI=1S/C23H25N3O6S/c1-30-18-13-16(14-19(31-2)22(18)32-3)25-23(27)17-9-6-12-26(17)33(28,29)20-10-4-7-15-8-5-11-24-21(15)20/h4-5,7-8,10-11,13-14,17H,6,9,12H2,1-3H3,(H,25,27)
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Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59388
PNG
(1-(2-hydroxyphenyl)-3-(2-methylpropyl)-4,6-bis(oxi...)
Show SMILES CC(C)CC1(NC(C2C1C(=O)N(C(C)C)C2=O)c1ccccc1O)C(O)=O
Show InChI InChI=1S/C20H26N2O5/c1-10(2)9-20(19(26)27)15-14(17(24)22(11(3)4)18(15)25)16(21-20)12-7-5-6-8-13(12)23/h5-8,10-11,14-16,21,23H,9H2,1-4H3,(H,26,27)
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Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59399
PNG
(1-[1-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-2-methyl...)
Show SMILES CC(C)C(N1CCC(Cc2ccccc2)CC1)c1nnnn1C(C)(C)C
Show InChI InChI=1S/C21H33N5/c1-16(2)19(20-22-23-24-26(20)21(3,4)5)25-13-11-18(12-14-25)15-17-9-7-6-8-10-17/h6-10,16,18-19H,11-15H2,1-5H3
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Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59410
PNG
(2-(1,3-benzodioxol-5-yl)-2-(3-methyl-1-piperidinyl...)
Show SMILES CC(C)c1ccc(NC(=O)C(N2CCCC(C)C2)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C24H30N2O3/c1-16(2)18-6-9-20(10-7-18)25-24(27)23(26-12-4-5-17(3)14-26)19-8-11-21-22(13-19)29-15-28-21/h6-11,13,16-17,23H,4-5,12,14-15H2,1-3H3,(H,25,27)
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Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM51661
PNG
(12-Imino-10,11-dioxa-tricyclo[5.3.2.0*1,6*]dodecan...)
Show SMILES N=C1OC23CCCCC2C1(C#N)C(CO3)(C#N)C#N
Show InChI InChI=1S/C13H12N4O2/c14-5-11(6-15)8-18-13-4-2-1-3-9(13)12(11,7-16)10(17)19-13/h9,17H,1-4,8H2/b17-10-
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Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59429
PNG
((2-Hydroxy-ethylsulfanyl)-acetic acid N'-[2-(n...)
Show SMILES OCCSCC(=O)NNC(=O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H18N2O4S/c19-8-9-23-11-16(21)18-17-15(20)10-22-14-7-3-5-12-4-1-2-6-13(12)14/h1-7,19H,8-11H2,(H,17,20)(H,18,21)
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Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM49586
PNG
(1-[(3-methyl-1-benzofuran-2-yl)carbonyl]indoline |...)
Show SMILES Cc1c(oc2ccccc12)C(=O)N1CCc2ccccc12
Show InChI InChI=1S/C18H15NO2/c1-12-14-7-3-5-9-16(14)21-17(12)18(20)19-11-10-13-6-2-4-8-15(13)19/h2-9H,10-11H2,1H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59433
PNG
(MLS000583269 | N-(2-{5-[(3,4-dichlorobenzyl)thio]-...)
Show SMILES CCn1c(CCNC(=O)c2ccc(OC)cc2)nnc1SCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H22Cl2N4O2S/c1-3-27-19(10-11-24-20(28)15-5-7-16(29-2)8-6-15)25-26-21(27)30-13-14-4-9-17(22)18(23)12-14/h4-9,12H,3,10-11,13H2,1-2H3,(H,24,28)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59436
PNG
(MLS000555323 | N-[(E)-1-[2-(diethylamino)ethylcarb...)
Show SMILES CCN(CC)CCNC(=O)C(\NC(=O)c1cccs1)=C/c1cccn1C
Show InChI InChI=1S/C19H26N4O2S/c1-4-23(5-2)12-10-20-18(24)16(14-15-8-6-11-22(15)3)21-19(25)17-9-7-13-26-17/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H,20,24)(H,21,25)/b16-14+
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59450
PNG
(1-(2-methylphenoxy)-4-(2-thienyl)phthalazine | 1-(...)
Show SMILES Cc1ccccc1Oc1nnc(-c2cccs2)c2ccccc12
Show InChI InChI=1S/C19H14N2OS/c1-13-7-2-5-10-16(13)22-19-15-9-4-3-8-14(15)18(20-21-19)17-11-6-12-23-17/h2-12H,1H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM56590
PNG
(2-[(5Z)-5-[2-(4-chloroanilino)-2-keto-ethylidene]-...)
Show SMILES Cc1ccc(NC(=O)CN2C(=O)S\C(=C/C(=O)Nc3ccc(Cl)cc3)C2=O)cc1
Show InChI InChI=1S/C20H16ClN3O4S/c1-12-2-6-14(7-3-12)23-18(26)11-24-19(27)16(29-20(24)28)10-17(25)22-15-8-4-13(21)5-9-15/h2-10H,11H2,1H3,(H,22,25)(H,23,26)/b16-10-
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59472
PNG
(2-[2-(2,6-dimethylheptan-4-ylidene)hydrazinyl]-6-m...)
Show SMILES CC(C)CC(CC(C)C)N=Nc1nc(C)cc(=O)[nH]1
Show InChI InChI=1S/C14H24N4O/c1-9(2)6-12(7-10(3)4)17-18-14-15-11(5)8-13(19)16-14/h8-10,12H,6-7H2,1-5H3,(H,15,16,19)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59473
PNG
(MLS000374446 | N,N-diethyl-3-(2-methylindolizin-3-...)
Show SMILES CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)c1c(C)cc2ccccn12
Show InChI InChI=1S/C20H22N2O3S/c1-4-21(5-2)26(24,25)18-11-8-9-16(14-18)20(23)19-15(3)13-17-10-6-7-12-22(17)19/h6-14H,4-5H2,1-3H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59481
PNG
(3-[(3,4-dimethylphenyl)sulfamoyl]-N,N,4-trimethyl-...)
Show SMILES CN(C)C(=O)c1ccc(C)c(c1)S(=O)(=O)Nc1ccc(C)c(C)c1
Show InChI InChI=1S/C18H22N2O3S/c1-12-7-9-16(10-14(12)3)19-24(22,23)17-11-15(8-6-13(17)2)18(21)20(4)5/h6-11,19H,1-5H3
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Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59487
PNG
(4-[[(Z)-2-[(2-chlorobenzoyl)amino]-3-(4-methoxyphe...)
Show SMILES COc1ccc(\C=C(/NC(=O)c2ccccc2Cl)C(=O)NCCCC(O)=O)cc1
Show InChI InChI=1S/C21H21ClN2O5/c1-29-15-10-8-14(9-11-15)13-18(21(28)23-12-4-7-19(25)26)24-20(27)16-5-2-3-6-17(16)22/h2-3,5-6,8-11,13H,4,7,12H2,1H3,(H,23,28)(H,24,27)(H,25,26)/b18-13-
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59490
PNG
(1-(6-methyl-2,3-dihydro-p-dioxin-5-carbonyl)-4-(3-...)
Show SMILES CCOC(=O)C1(CCCc2ccccc2)CCN(CC1)C(=O)C1=C(C)OCCO1
Show InChI InChI=1S/C23H31NO5/c1-3-27-22(26)23(11-7-10-19-8-5-4-6-9-19)12-14-24(15-13-23)21(25)20-18(2)28-16-17-29-20/h4-6,8-9H,3,7,10-17H2,1-2H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%