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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
E3 ubiquitin-protein ligase 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 |(9.6,14.75,;8.1,14.43,;7.62,12.97,;8.52,11.73,;10.06,11.73,;10.83,10.4,;12.37,10.4,;13.27,11.64,;14.74,11.17,;14.74,9.63,;15.98,8.72,;17.39,9.35,;18.64,8.44,;18.48,6.91,;17.07,6.28,;15.82,7.19,;13.27,9.15,;12.8,7.69,;13.83,6.54,;13.35,5.08,;11.85,4.76,;10.81,5.9,;11.29,7.36,;10.26,8.51,;7.62,10.49,;6.16,10.96,;4.83,10.19,;3.49,10.96,;3.49,12.5,;4.83,13.27,;6.16,12.5,;2.16,10.19,;.83,10.96,;2.16,8.65,)|
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
E3 ubiquitin-protein ligase 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
E3 ubiquitin-protein ligase 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
E3 ubiquitin-protein ligase 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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM36904
PNG
((4Z)-4-[hydroxy-(4-methoxyphenyl)methylene]-5-(3-m...)
Show SMILES COc1ccc(cc1)C(=O)C1C(N(CC2CCCO2)C(=O)C1=O)c1cccc(OC)c1
Show InChI InChI=1S/C24H25NO6/c1-29-17-10-8-15(9-11-17)22(26)20-21(16-5-3-6-18(13-16)30-2)25(24(28)23(20)27)14-19-7-4-12-31-19/h3,5-6,8-11,13,19-21H,4,7,12,14H2,1-2H3
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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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50822
PNG
(1-acetyl-N,N-bis(2-methylpropyl)-3,4-dihydro-2H-qu...)
Show SMILES CC(C)CN(CC(C)C)S(=O)(=O)c1ccc2N(CCCc2c1)C(C)=O
Show InChI InChI=1S/C19H30N2O3S/c1-14(2)12-20(13-15(3)4)25(23,24)18-8-9-19-17(11-18)7-6-10-21(19)16(5)22/h8-9,11,14-15H,6-7,10,12-13H2,1-5H3
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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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM59357
PNG
(4-[(4,7-dimethyl-2-oxidanylidene-chromen-6-yl)amin...)
Show SMILES Cc1cc2oc(=O)cc(C)c2cc1NC(=O)CCC(O)=O
Show InChI InChI=1S/C15H15NO5/c1-8-6-15(20)21-12-5-9(2)11(7-10(8)12)16-13(17)3-4-14(18)19/h5-7H,3-4H2,1-2H3,(H,16,17)(H,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
E3 ubiquitin-protein ligase 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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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
E3 ubiquitin-protein ligase 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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM59381
PNG
(MLS000116087 | N-(3-ethoxypropyl)-2-isobutyl-1-ket...)
Show SMILES CCOCCCNC(=O)c1cn(CC(C)C)c(=O)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C21H30N2O5/c1-6-28-9-7-8-22-20(24)17-13-23(12-14(2)3)21(25)16-11-19(27-5)18(26-4)10-15(16)17/h10-11,13-14H,6-9,12H2,1-5H3,(H,22,24)
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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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM59387
PNG
(MLS000119808 | N-[3-(4-ethyl-1-piperazinyl)propyl]...)
Show SMILES CCN1CCN(CCCNC(=O)Cn2cc3CCCCc3n2)CC1
Show InChI InChI=1S/C18H31N5O/c1-2-21-10-12-22(13-11-21)9-5-8-19-18(24)15-23-14-16-6-3-4-7-17(16)20-23/h14H,2-13,15H2,1H3,(H,19,24)
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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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM59389
PNG
(MLS000115132 | N-(3-methylsulfanylphenyl)-2-(1,1,3...)
Show SMILES CSc1cccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1
Show InChI InChI=1S/C16H14N2O4S2/c1-23-12-6-4-5-11(9-12)17-15(19)10-18-16(20)13-7-2-3-8-14(13)24(18,21)22/h2-9H,10H2,1H3,(H,17,19)
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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
E3 ubiquitin-protein ligase 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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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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM59403
PNG
(1-ethyl-3,6-diazatricyclo[4.3.1.1~3,8~]undecan-9-o...)
Show SMILES [H]C12CN3CC(CC)(CN(C1)CC3)C2O |TLB:14:13:4:9.8.12.11,12:3:13:9.8.10,11:9:13:3.4.2,THB:10:9:4:1.13.2,10:1:4:9.8.12.11|
Show InChI InChI=1S/C11H20N2O/c1-2-11-7-12-3-4-13(8-11)6-9(5-12)10(11)14/h9-10,14H,2-8H2,1H3
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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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM59414
PNG
((4-morpholinophenyl)-(4-pyridylmethyl)amine | 4-(4...)
Show SMILES C(Nc1ccc(cc1)N1CCOCC1)c1ccncc1
Show InChI InChI=1S/C16H19N3O/c1-3-16(19-9-11-20-12-10-19)4-2-15(1)18-13-14-5-7-17-8-6-14/h1-8,18H,9-13H2
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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
E3 ubiquitin-protein ligase 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 |THB:0:1:8:14.12.13|
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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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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM59418
PNG
(1-[4-[4-(3-chlorophenyl)-1-piperazinyl]butyl]-3-(d...)
Show SMILES Clc1cccc(c1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](=[#6](\c3ccccc3)-c3ccccc3)-[#6]-2=O)-[#6]-[#6]-1
Show InChI InChI=1S/C31H32ClN3O2/c32-26-14-9-15-27(22-26)34-20-18-33(19-21-34)16-7-8-17-35-29(36)23-28(31(35)37)30(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-6,9-15,22H,7-8,16-21,23H2
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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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM48678
PNG
(1-phenyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one...)
Show SMILES O=c1[nH]c2ccccc2n2c(nnc12)-c1ccccc1
Show InChI InChI=1S/C15H10N4O/c20-15-14-18-17-13(10-6-2-1-3-7-10)19(14)12-9-5-4-8-11(12)16-15/h1-9H,(H,16,20)
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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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM59421
PNG
(4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoi...)
Show SMILES COC(=O)c1ccc(\C=C\C(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C18H16O4/c1-21-16-10-8-14(9-11-16)17(19)12-5-13-3-6-15(7-4-13)18(20)22-2/h3-12H,1-2H3/b12-5+
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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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM59422
PNG
(MLS000579399 | N-[[2-[(3-fluorophenyl)methoxy]phen...)
Show SMILES Fc1cccc(COc2ccccc2CNc2ccccc2)c1
Show InChI InChI=1S/C20H18FNO/c21-18-9-6-7-16(13-18)15-23-20-12-5-4-8-17(20)14-22-19-10-2-1-3-11-19/h1-13,22H,14-15H2
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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
E3 ubiquitin-protein ligase 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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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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM59440
PNG
((E)-2-cyano-3-[3-(4-methoxy-3-nitro-phenyl)-1-phen...)
Show SMILES COc1ccc(cc1[N+]([O-])=O)-c1nn(cc1\C=C(/C#N)C(=O)NCC=C)-c1ccccc1
Show InChI InChI=1S/C23H19N5O4/c1-3-11-25-23(29)17(14-24)12-18-15-27(19-7-5-4-6-8-19)26-22(18)16-9-10-21(32-2)20(13-16)28(30)31/h3-10,12-13,15H,1,11H2,2H3,(H,25,29)/b17-12+
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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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM59446
PNG
(4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylthiocar...)
Show SMILES COC(=O)c1ccc(cc1)C(=O)NC(=S)Nc1nc2CCCCc2s1
Show InChI InChI=1S/C17H17N3O3S2/c1-23-15(22)11-8-6-10(7-9-11)14(21)19-16(24)20-17-18-12-4-2-3-5-13(12)25-17/h6-9H,2-5H2,1H3,(H2,18,19,20,21,24)
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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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM59448
PNG
(MLS000335904 | N-(5-chloranylpyridin-2-yl)-2-(7-me...)
Show SMILES COc1ccc2c(C)cc(SCC(=O)Nc3ccc(Cl)cn3)nc2c1
Show InChI InChI=1S/C18H16ClN3O2S/c1-11-7-18(21-15-8-13(24-2)4-5-14(11)15)25-10-17(23)22-16-6-3-12(19)9-20-16/h3-9H,10H2,1-2H3,(H,20,22,23)
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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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM59452
PNG
((5Z)-5-(4,5-dimethyl-6-oxidanylidene-cyclohexa-2,4...)
Show SMILES CCSc1nnc(NC(=O)c2cc(n[nH]2)-c2ccc(C)c(C)c2O)s1
Show InChI InChI=1S/C16H17N5O2S2/c1-4-24-16-21-20-15(25-16)17-14(23)12-7-11(18-19-12)10-6-5-8(2)9(3)13(10)22/h5-7,22H,4H2,1-3H3,(H,18,19)(H,17,20,23)
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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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM59453
PNG
(2-(6-fluoro-4-keto-3-tosyl-1-quinolyl)-N-phenyl-ac...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1cn(CC(=O)Nc2ccccc2)c2ccc(F)cc2c1=O
Show InChI InChI=1S/C24H19FN2O4S/c1-16-7-10-19(11-8-16)32(30,31)22-14-27(15-23(28)26-18-5-3-2-4-6-18)21-12-9-17(25)13-20(21)24(22)29/h2-14H,15H2,1H3,(H,26,28)
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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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM59464
PNG
((4,6-dipyrrolidino-s-triazin-2-yl)-(p-anisylidenea...)
Show SMILES COc1ccc(CN=Nc2nc(nc(n2)N2CCCC2)N2CCCC2)cc1 |w:8.8|
Show InChI InChI=1S/C19H25N7O/c1-27-16-8-6-15(7-9-16)14-20-24-17-21-18(25-10-2-3-11-25)23-19(22-17)26-12-4-5-13-26/h6-9H,2-5,10-14H2,1H3
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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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM59466
PNG
(1-(1-adamantyl)-3-[5-(dimethylsulfamoyl)-2-methyl-...)
Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=S)Nc1cc(ccc1C)S(=O)(=O)N(C)C |TLB:5:3:11:6.9.8,THB:2:1:9:3.12.5,2:3:9:1.11.8|
Show InChI InChI=1S/C20H29N3O2S2/c1-13-4-5-17(27(24,25)23(2)3)9-18(13)21-19(26)22-20-10-14-6-15(11-20)8-16(7-14)12-20/h4-5,9,14-16H,6-8,10-12H2,1-3H3,(H2,21,22,26)
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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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM52507
PNG
((3E)-2-amino-5-methyl-3-(phenylhydrazinylidene)-7-...)
Show SMILES Cc1cc(=O)n2[nH]c(N)c(N=Nc3ccccc3)c2n1 |w:10.9|
Show InChI InChI=1S/C13H12N6O/c1-8-7-10(20)19-13(15-8)11(12(14)18-19)17-16-9-5-3-2-4-6-9/h2-7,18H,14H2,1H3
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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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM59479
PNG
(6-methyl-N'-[(1Z)-(2-nitrophenyl)methylene]nic...)
Show SMILES Cc1ccc(cn1)C(=O)N\N=C\c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C14H12N4O3/c1-10-6-7-12(8-15-10)14(19)17-16-9-11-4-2-3-5-13(11)18(20)21/h2-9H,1H3,(H,17,19)/b16-9+
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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
E3 ubiquitin-protein ligase 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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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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM59493
PNG
(2-(benzylthio)-N-(2-pyridylmethyl)propionamide | 2...)
Show SMILES CC(SCc1ccccc1)C(=O)NCc1ccccn1
Show InChI InChI=1S/C16H18N2OS/c1-13(20-12-14-7-3-2-4-8-14)16(19)18-11-15-9-5-6-10-17-15/h2-10,13H,11-12H2,1H3,(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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM59499
PNG
(MLS000689523 | N-benzyl-3-keto-N-methyl-2-morpholi...)
Show SMILES CN(Cc1ccccc1)C(=O)c1ccc2SC(N3CCOCC3)C(=O)Nc2c1
Show InChI InChI=1S/C21H23N3O3S/c1-23(14-15-5-3-2-4-6-15)20(26)16-7-8-18-17(13-16)22-19(25)21(28-18)24-9-11-27-12-10-24/h2-8,13,21H,9-12,14H2,1H3,(H,22,25)
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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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM59334
PNG
(2-(1H-Benzoimidazol-2-yl)-1-(4-methyl-piperazin-1-...)
Show SMILES CN1CCN(CC1)C(=O)Cc1nc2ccccc2[nH]1
Show InChI InChI=1S/C14H18N4O/c1-17-6-8-18(9-7-17)14(19)10-13-15-11-4-2-3-5-12(11)16-13/h2-5H,6-10H2,1H3,(H,15,16)
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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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM59343
PNG
(MLS000082761 | N-(1,7-dimethyl-3-pyrazolo[3,4-b]qu...)
Show SMILES Cc1ccc2cc3c(NC(=O)c4cccnc4)nn(C)c3nc2c1
Show InChI InChI=1S/C18H15N5O/c1-11-5-6-12-9-14-16(21-18(24)13-4-3-7-19-10-13)22-23(2)17(14)20-15(12)8-11/h3-10H,1-2H3,(H,21,22,24)
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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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM59346
PNG
(2-(cyclopentylamino)-9,10-dimethoxy-6,7-dihydropyr...)
Show SMILES COc1cc2CCn3c(cc(NC4CCCC4)nc3=O)-c2cc1OC
Show InChI InChI=1S/C19H23N3O3/c1-24-16-9-12-7-8-22-15(14(12)10-17(16)25-2)11-18(21-19(22)23)20-13-5-3-4-6-13/h9-11,13H,3-8H2,1-2H3,(H,20,21,23)
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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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM59347
PNG
(1-[(2-keto-2-piperidino-ethyl)thio]-4-o-anisyl-[1,...)
Show SMILES COc1ccccc1Cn1c2nnc(SCC(=O)N3CCCCC3)n2c2ccccc2c1=O
Show InChI InChI=1S/C24H25N5O3S/c1-32-20-12-6-3-9-17(20)15-28-22(31)18-10-4-5-11-19(18)29-23(28)25-26-24(29)33-16-21(30)27-13-7-2-8-14-27/h3-6,9-12H,2,7-8,13-16H2,1H3
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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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM59366
PNG
(1-(4-methoxy-2,3-dimethyl-phenyl)sulfonylpyrrolidi...)
Show SMILES COc1ccc(c(C)c1C)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C13H19NO3S/c1-10-11(2)13(7-6-12(10)17-3)18(15,16)14-8-4-5-9-14/h6-7H,4-5,8-9H2,1-3H3
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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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM59368
PNG
(1-[2-chloro-5-(4H-1,2,4-triazol-4-yl)benzoyl]-4-(4...)
Show SMILES Clc1ccc(cc1C(=O)N1CCN(CC1)c1nc(cs1)-c1ccccc1)-n1cnnc1
Show InChI InChI=1S/C22H19ClN6OS/c23-19-7-6-17(29-14-24-25-15-29)12-18(19)21(30)27-8-10-28(11-9-27)22-26-20(13-31-22)16-4-2-1-3-5-16/h1-7,12-15H,8-11H2
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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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM56202
PNG
(MLS000120568 | SMR000097422 | cid_2947636)
Show SMILES [H]C12OC3(C=C1)C(CC(C)=C)N(C(=O)C3C2C(O)=O)c1cccc(OC)c1 |c:4|
Show InChI InChI=1S/C20H21NO5/c1-11(2)9-15-20-8-7-14(26-20)16(19(23)24)17(20)18(22)21(15)12-5-4-6-13(10-12)25-3/h4-8,10,14-17H,1,9H2,2-3H3,(H,23,24)
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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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM59404
PNG
(MLS000541515 | N-(3-bromanyl-2-methyl-phenyl)-3-py...)
Show SMILES Cc1c(Br)cccc1NC(=O)c1sccc1-n1cccc1
Show InChI InChI=1S/C16H13BrN2OS/c1-11-12(17)5-4-6-13(11)18-16(20)15-14(7-10-21-15)19-8-2-3-9-19/h2-10H,1H3,(H,18,20)
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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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM59405
PNG
(4-[[2-[(2-fluorobenzyl)thio]imidazo[4,5-c]pyridin-...)
Show SMILES COc1ccc(cc1)-c1nc(Cn2c(SCc3ccccc3F)nc3ccncc23)c(C)o1
Show InChI InChI=1S/C25H21FN4O2S/c1-16-22(28-24(32-16)17-7-9-19(31-2)10-8-17)14-30-23-13-27-12-11-21(23)29-25(30)33-15-18-5-3-4-6-20(18)26/h3-13H,14-15H2,1-2H3
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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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM57286
PNG
(3,4,5-trimethoxybenzaldehyde [4-(3,5-dimethyl-1H-p...)
Show SMILES COc1cc(CN=Nc2nc(Nc3ccc(C)cc3)nc(n2)-n2nc(C)cc2C)cc(OC)c1OC |w:7.7|
Show InChI InChI=1S/C25H28N8O3/c1-15-7-9-19(10-8-15)27-23-28-24(30-25(29-23)33-17(3)11-16(2)32-33)31-26-14-18-12-20(34-4)22(36-6)21(13-18)35-5/h7-13H,14H2,1-6H3,(H,27,28,29,30)
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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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM59426
PNG
(2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)...)
Show SMILES CSc1nc(N)nc(SCC(=O)Nc2cccc(F)c2)c1C#N
Show InChI InChI=1S/C14H12FN5OS2/c1-22-12-10(6-16)13(20-14(17)19-12)23-7-11(21)18-9-4-2-3-8(15)5-9/h2-5H,7H2,1H3,(H,18,21)(H2,17,19,20)
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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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM59434
PNG
(MLS000574769 | N-[3-[(4-ethoxy-3-nitro-benzoyl)ami...)
Show SMILES CCOc1ccc(cc1[N+]([O-])=O)C(=O)Nc1cccc(NC(=O)c2cccs2)c1
Show InChI InChI=1S/C20H17N3O5S/c1-2-28-17-9-8-13(11-16(17)23(26)27)19(24)21-14-5-3-6-15(12-14)22-20(25)18-7-4-10-29-18/h3-12H,2H2,1H3,(H,21,24)(H,22,25)
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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
E3 ubiquitin-protein ligase 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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM59438
PNG
(1-[3-(4-cyclohexyl-1-piperazinyl)propyl]-3-(4-etho...)
Show SMILES CCOc1ccc(NC(=S)NCCCN2CCN(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C22H36N4OS/c1-2-27-21-11-9-19(10-12-21)24-22(28)23-13-6-14-25-15-17-26(18-16-25)20-7-4-3-5-8-20/h9-12,20H,2-8,13-18H2,1H3,(H2,23,24,28)
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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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM59441
PNG
(MLS000587208 | N-(4-{N'-[1-(4-Hydroxy-3-methox...)
Show SMILES COc1cc(CN=Nc2cc(C)nc(NS(=O)(=O)c3ccc(C)cc3)n2)ccc1O |w:7.7|
Show InChI InChI=1S/C20H21N5O4S/c1-13-4-7-16(8-5-13)30(27,28)25-20-22-14(2)10-19(23-20)24-21-12-15-6-9-17(26)18(11-15)29-3/h4-11,26H,12H2,1-3H3,(H,22,23,25)
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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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM59447
PNG
(MLS000722224 | N-[2-(1H-indol-3-yl)ethyl]-N'-[[3-(...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCOC1CNC(=O)C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C23H26N4O6S/c1-32-17-6-8-18(9-7-17)34(30,31)27-12-13-33-21(27)15-26-23(29)22(28)24-11-10-16-14-25-20-5-3-2-4-19(16)20/h2-9,14,21,25H,10-13,15H2,1H3,(H,24,28)(H,26,29)
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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
E3 ubiquitin-protein ligase 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
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* indicates data uncertainty>20%