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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Apoptotic protease-activating factor 1' and Ligand = 'BDBM80137'   
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
Apoptotic protease-activating factor 1


(Homo sapiens (Human))
BDBM80137
PNG
(3-(4-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carbox...)
Show SMILES OC(=O)C1CC(=NO1)c1ccc(F)cc1 |c:5|
Show InChI InChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)
PDB
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n/an/an/an/a>1.00E+5n/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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB447H
More data for this
Ligand-Target Pair
Apoptotic protease-activating factor 1


(Homo sapiens (Human))
BDBM80137
PNG
(3-(4-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carbox...)
Show SMILES OC(=O)C1CC(=NO1)c1ccc(F)cc1 |c:5|
Show InChI InChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)
PDB
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n/an/an/an/a 1.45E+3n/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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q29C6VXX
More data for this
Ligand-Target Pair
Apoptotic protease-activating factor 1


(Homo sapiens (Human))
BDBM80137
PNG
(3-(4-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carbox...)
Show SMILES OC(=O)C1CC(=NO1)c1ccc(F)cc1 |c:5|
Show InChI InChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)
PDB
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n/an/an/an/a>9.90E+4n/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 (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q24F1PBG
More data for this
Ligand-Target Pair
Apoptotic protease-activating factor 1


(Homo sapiens (Human))
BDBM80137
PNG
(3-(4-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carbox...)
Show SMILES OC(=O)C1CC(=NO1)c1ccc(F)cc1 |c:5|
Show InChI InChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)
PDB
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n/an/an/an/a 3.86E+3n/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 (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q24F1PBG
More data for this
Ligand-Target Pair
Apoptotic protease-activating factor 1


(Homo sapiens (Human))
BDBM80137
PNG
(3-(4-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carbox...)
Show SMILES OC(=O)C1CC(=NO1)c1ccc(F)cc1 |c:5|
Show InChI InChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)
PDB
MMDB

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PCBioAssay
n/an/an/an/a 6.39E+3n/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 (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q24F1PBG
More data for this
Ligand-Target Pair