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PubChem AID 1514

Compile data set for download or QSAR
Found 4 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))		BDBM43779
PNG
((2S)-2-(1-ketoisoindolin-2-yl)-3-phenyl-propionic ...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O
Show InChI InChI=1S/C17H15NO3/c19-16-14-9-5-4-8-13(14)11-18(16)15(17(20)21)10-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,20,21)/t15-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2610XRV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM43781
PNG
(2-(4-fluorophenyl)-2-(1-ketoisoindolin-2-yl)acetic...)
Show SMILES OC(=O)C(N1Cc2ccccc2C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H12FNO3/c17-12-7-5-10(6-8-12)14(16(20)21)18-9-11-3-1-2-4-13(11)15(18)19/h1-8,14H,9H2,(H,20,21)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2610XRV
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM43782
PNG
(2-(1-ketoisoindolin-2-yl)propionic acid | 2-(3-oxi...)
Show SMILES CC(N1Cc2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C11H11NO3/c1-7(11(14)15)12-6-8-4-2-3-5-9(8)10(12)13/h2-5,7H,6H2,1H3,(H,14,15)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2610XRV
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
PDB

KEGG

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n/an/a>2.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2610XRV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%