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SMILES: [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#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]-[#6]-[#6]-[#6](-[#8])=O)nn1

InChI Key: InChIKey=QEJBTNGJBILVMX-SKQSIOIRSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 79199   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM79199
PNG
(EK-IR | MLS002153610 | SMR001230878 | cid_24978563)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#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]-[#6]-[#6]-[#6](-[#8])=O)nn1
Show InChI InChI=1S/C67H116N20O9/c1-4-45-94-47-49-96-50-48-95-46-36-74-65-75-66(84-41-37-82(38-42-84)59(88)29-18-14-10-6-8-12-16-22-33-71-62(92)57(27-20-21-32-68)86-52-55(78-80-86)26-24-31-61(90)91)77-67(76-65)85-43-39-83(40-44-85)60(89)30-19-15-11-7-9-13-17-23-34-72-63(93)58(28-25-35-73-64(69)70)87-53-56(79-81-87)51-54(3)5-2/h1,52-54,57-58H,5-51,68H2,2-3H3,(H,71,92)(H,72,93)(H,90,91)(H4,69,70,73)(H,74,75,76,77)/t54-,57-,58-/m0/s1
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n/an/a 3.61E+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))
BDBM79199
PNG
(EK-IR | MLS002153610 | SMR001230878 | cid_24978563)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#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]-[#6]-[#6]-[#6](-[#8])=O)nn1
Show InChI InChI=1S/C67H116N20O9/c1-4-45-94-47-49-96-50-48-95-46-36-74-65-75-66(84-41-37-82(38-42-84)59(88)29-18-14-10-6-8-12-16-22-33-71-62(92)57(27-20-21-32-68)86-52-55(78-80-86)26-24-31-61(90)91)77-67(76-65)85-43-39-83(40-44-85)60(89)30-19-15-11-7-9-13-17-23-34-72-63(93)58(28-25-35-73-64(69)70)87-53-56(79-81-87)51-54(3)5-2/h1,52-54,57-58H,5-51,68H2,2-3H3,(H,71,92)(H,72,93)(H,90,91)(H4,69,70,73)(H,74,75,76,77)/t54-,57-,58-/m0/s1
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n/an/a 6.84E+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
Bcl-2-related protein A1


(Mus musculus (Mouse))
BDBM79199
PNG
(EK-IR | MLS002153610 | SMR001230878 | cid_24978563)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#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]-[#6]-[#6]-[#6](-[#8])=O)nn1
Show InChI InChI=1S/C67H116N20O9/c1-4-45-94-47-49-96-50-48-95-46-36-74-65-75-66(84-41-37-82(38-42-84)59(88)29-18-14-10-6-8-12-16-22-33-71-62(92)57(27-20-21-32-68)86-52-55(78-80-86)26-24-31-61(90)91)77-67(76-65)85-43-39-83(40-44-85)60(89)30-19-15-11-7-9-13-17-23-34-72-63(93)58(28-25-35-73-64(69)70)87-53-56(79-81-87)51-54(3)5-2/h1,52-54,57-58H,5-51,68H2,2-3H3,(H,71,92)(H,72,93)(H,90,91)(H4,69,70,73)(H,74,75,76,77)/t54-,57-,58-/m0/s1
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n/an/a 1.39E+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 CA...


PubChem Bioassay (2011)


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