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SMILES: OC(COc1ccc2ccccc2c1)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1

InChI Key: InChIKey=RIOPHIYNQOGISJ-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 78214   
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))
BDBM78214
PNG
(2-[2-[4-(2-hydroxy-3-naphthalen-2-yloxypropyl)pipe...)
Show SMILES OC(COc1ccc2ccccc2c1)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
Show InChI InChI=1S/C31H31N3O4/c35-25(21-38-26-12-11-22-5-1-2-6-24(22)19-26)20-33-15-13-32(14-16-33)17-18-34-30(36)27-9-3-7-23-8-4-10-28(29(23)27)31(34)37/h1-12,19,25,35H,13-18,20-21H2
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PCBioAssay
n/an/a 2.49E+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
Ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM78214
PNG
(2-[2-[4-(2-hydroxy-3-naphthalen-2-yloxypropyl)pipe...)
Show SMILES OC(COc1ccc2ccccc2c1)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
Show InChI InChI=1S/C31H31N3O4/c35-25(21-38-26-12-11-22-5-1-2-6-24(22)19-26)20-33-15-13-32(14-16-33)17-18-34-30(36)27-9-3-7-23-8-4-10-28(29(23)27)31(34)37/h1-12,19,25,35H,13-18,20-21H2
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n/an/a 3.02E+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
Bcl-2-related protein A1


(Mus musculus (Mouse))
BDBM78214
PNG
(2-[2-[4-(2-hydroxy-3-naphthalen-2-yloxypropyl)pipe...)
Show SMILES OC(COc1ccc2ccccc2c1)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
Show InChI InChI=1S/C31H31N3O4/c35-25(21-38-26-12-11-22-5-1-2-6-24(22)19-26)20-33-15-13-32(14-16-33)17-18-34-30(36)27-9-3-7-23-8-4-10-28(29(23)27)31(34)37/h1-12,19,25,35H,13-18,20-21H2
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n/an/a>2.00E+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
Mitochondrial import inner membrane translocase subunit TIM10


(Saccharomyces cerevisiae S288c)
BDBM78214
PNG
(2-[2-[4-(2-hydroxy-3-naphthalen-2-yloxypropyl)pipe...)
Show SMILES OC(COc1ccc2ccccc2c1)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
Show InChI InChI=1S/C31H31N3O4/c35-25(21-38-26-12-11-22-5-1-2-6-24(22)19-26)20-33-15-13-32(14-16-33)17-18-34-30(36)27-9-3-7-23-8-4-10-28(29(23)27)31(34)37/h1-12,19,25,35H,13-18,20-21H2
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n/an/a 1.93E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2F18X6W
More data for this
Ligand-Target Pair