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Compile Data Set for Download or QSAR

Found 8 hits of ic50 for monomerid = 79255   
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
Ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM79255
PNG
(MLS002153690 | RI-GK | SMR001231068 | cid_25162995)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-n1cc(-[#6])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1
Show InChI InChI=1S/C64H112N20O7/c1-5-44-89-46-48-91-49-47-90-45-35-71-62-72-63(81-40-36-79(37-41-81)56(85)29-19-15-11-7-9-13-17-24-32-68-59(87)55(28-21-23-31-65)83-50-53(4)75-77-83)74-64(73-62)82-42-38-80(39-43-82)57(86)30-20-16-12-8-10-14-18-25-33-69-60(88)58(52(3)6-2)84-51-54(76-78-84)27-22-26-34-70-61(66)67/h1,50-52,55,58H,6-49,65H2,2-4H3,(H,68,87)(H,69,88)(H4,66,67,70)(H,71,72,73,74)/t52-,55-,58-/m0/s1
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n/an/a 1.68E+3n/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM79255
PNG
(MLS002153690 | RI-GK | SMR001231068 | cid_25162995)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-n1cc(-[#6])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1
Show InChI InChI=1S/C64H112N20O7/c1-5-44-89-46-48-91-49-47-90-45-35-71-62-72-63(81-40-36-79(37-41-81)56(85)29-19-15-11-7-9-13-17-24-32-68-59(87)55(28-21-23-31-65)83-50-53(4)75-77-83)74-64(73-62)82-42-38-80(39-43-82)57(86)30-20-16-12-8-10-14-18-25-33-69-60(88)58(52(3)6-2)84-51-54(76-78-84)27-22-26-34-70-61(66)67/h1,50-52,55,58H,6-49,65H2,2-4H3,(H,68,87)(H,69,88)(H4,66,67,70)(H,71,72,73,74)/t52-,55-,58-/m0/s1
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n/an/a 2.11E+3n/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM79255
PNG
(MLS002153690 | RI-GK | SMR001231068 | cid_25162995)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-n1cc(-[#6])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1
Show InChI InChI=1S/C64H112N20O7/c1-5-44-89-46-48-91-49-47-90-45-35-71-62-72-63(81-40-36-79(37-41-81)56(85)29-19-15-11-7-9-13-17-24-32-68-59(87)55(28-21-23-31-65)83-50-53(4)75-77-83)74-64(73-62)82-42-38-80(39-43-82)57(86)30-20-16-12-8-10-14-18-25-33-69-60(88)58(52(3)6-2)84-51-54(76-78-84)27-22-26-34-70-61(66)67/h1,50-52,55,58H,6-49,65H2,2-4H3,(H,68,87)(H,69,88)(H4,66,67,70)(H,71,72,73,74)/t52-,55-,58-/m0/s1
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n/an/a 6.43E+3n/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 (2011)


BindingDB Entry DOI: 10.7270/Q2BZ64H1
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))
BDBM79255
PNG
(MLS002153690 | RI-GK | SMR001231068 | cid_25162995)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-n1cc(-[#6])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1
Show InChI InChI=1S/C64H112N20O7/c1-5-44-89-46-48-91-49-47-90-45-35-71-62-72-63(81-40-36-79(37-41-81)56(85)29-19-15-11-7-9-13-17-24-32-68-59(87)55(28-21-23-31-65)83-50-53(4)75-77-83)74-64(73-62)82-42-38-80(39-43-82)57(86)30-20-16-12-8-10-14-18-25-33-69-60(88)58(52(3)6-2)84-51-54(76-78-84)27-22-26-34-70-61(66)67/h1,50-52,55,58H,6-49,65H2,2-4H3,(H,68,87)(H,69,88)(H4,66,67,70)(H,71,72,73,74)/t52-,55-,58-/m0/s1
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n/an/a 8.52E+3n/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM79255
PNG
(MLS002153690 | RI-GK | SMR001231068 | cid_25162995)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-n1cc(-[#6])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1
Show InChI InChI=1S/C64H112N20O7/c1-5-44-89-46-48-91-49-47-90-45-35-71-62-72-63(81-40-36-79(37-41-81)56(85)29-19-15-11-7-9-13-17-24-32-68-59(87)55(28-21-23-31-65)83-50-53(4)75-77-83)74-64(73-62)82-42-38-80(39-43-82)57(86)30-20-16-12-8-10-14-18-25-33-69-60(88)58(52(3)6-2)84-51-54(76-78-84)27-22-26-34-70-61(66)67/h1,50-52,55,58H,6-49,65H2,2-4H3,(H,68,87)(H,69,88)(H4,66,67,70)(H,71,72,73,74)/t52-,55-,58-/m0/s1
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n/an/a 1.27E+4n/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 (2011)


BindingDB Entry DOI: 10.7270/Q26M35BC
More data for this
Ligand-Target Pair
Apoptotic protease-activating factor 1


(Homo sapiens (Human))
BDBM79255
PNG
(MLS002153690 | RI-GK | SMR001231068 | cid_25162995)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-n1cc(-[#6])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1
Show InChI InChI=1S/C64H112N20O7/c1-5-44-89-46-48-91-49-47-90-45-35-71-62-72-63(81-40-36-79(37-41-81)56(85)29-19-15-11-7-9-13-17-24-32-68-59(87)55(28-21-23-31-65)83-50-53(4)75-77-83)74-64(73-62)82-42-38-80(39-43-82)57(86)30-20-16-12-8-10-14-18-25-33-69-60(88)58(52(3)6-2)84-51-54(76-78-84)27-22-26-34-70-61(66)67/h1,50-52,55,58H,6-49,65H2,2-4H3,(H,68,87)(H,69,88)(H4,66,67,70)(H,71,72,73,74)/t52-,55-,58-/m0/s1
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n/an/a 2.14E+4n/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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair
Apoptotic protease-activating factor 1


(Homo sapiens (Human))
BDBM79255
PNG
(MLS002153690 | RI-GK | SMR001231068 | cid_25162995)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-n1cc(-[#6])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1
Show InChI InChI=1S/C64H112N20O7/c1-5-44-89-46-48-91-49-47-90-45-35-71-62-72-63(81-40-36-79(37-41-81)56(85)29-19-15-11-7-9-13-17-24-32-68-59(87)55(28-21-23-31-65)83-50-53(4)75-77-83)74-64(73-62)82-42-38-80(39-43-82)57(86)30-20-16-12-8-10-14-18-25-33-69-60(88)58(52(3)6-2)84-51-54(76-78-84)27-22-26-34-70-61(66)67/h1,50-52,55,58H,6-49,65H2,2-4H3,(H,68,87)(H,69,88)(H4,66,67,70)(H,71,72,73,74)/t52-,55-,58-/m0/s1
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n/an/a>1.00E+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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2F18X8S
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (Human))
BDBM79255
PNG
(MLS002153690 | RI-GK | SMR001231068 | cid_25162995)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-n1cc(-[#6])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1
Show InChI InChI=1S/C64H112N20O7/c1-5-44-89-46-48-91-49-47-90-45-35-71-62-72-63(81-40-36-79(37-41-81)56(85)29-19-15-11-7-9-13-17-24-32-68-59(87)55(28-21-23-31-65)83-50-53(4)75-77-83)74-64(73-62)82-42-38-80(39-43-82)57(86)30-20-16-12-8-10-14-18-25-33-69-60(88)58(52(3)6-2)84-51-54(76-78-84)27-22-26-34-70-61(66)67/h1,50-52,55,58H,6-49,65H2,2-4H3,(H,68,87)(H,69,88)(H4,66,67,70)(H,71,72,73,74)/t52-,55-,58-/m0/s1
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n/an/a>1.00E+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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair