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SMILES: CC1OC(Nc2cccc3ccccc23)C(O)C(O)C1O

InChI Key: InChIKey=RENWKKKXUKFSRO-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 7 hits for monomerid = 62871   
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
Heat shock factor protein 1


(Mus musculus)
BDBM62871
PNG
(2-methyl-6-(1-naphthalenylamino)oxane-3,4,5-triol ...)
Show SMILES CC1OC(Nc2cccc3ccccc23)C(O)C(O)C1O
Show InChI InChI=1S/C16H19NO4/c1-9-13(18)14(19)15(20)16(21-9)17-12-8-4-6-10-5-2-3-7-11(10)12/h2-9,13-20H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>1.95E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM62871
PNG
(2-methyl-6-(1-naphthalenylamino)oxane-3,4,5-triol ...)
Show SMILES CC1OC(Nc2cccc3ccccc23)C(O)C(O)C1O
Show InChI InChI=1S/C16H19NO4/c1-9-13(18)14(19)15(20)16(21-9)17-12-8-4-6-10-5-2-3-7-11(10)12/h2-9,13-20H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 6.06E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2MS3R7H
More data for this
Ligand-Target Pair
Sentrin-specific protease 6


(Homo sapiens (Human))
BDBM62871
PNG
(2-methyl-6-(1-naphthalenylamino)oxane-3,4,5-triol ...)
Show SMILES CC1OC(Nc2cccc3ccccc23)C(O)C(O)C1O
Show InChI InChI=1S/C16H19NO4/c1-9-13(18)14(19)15(20)16(21-9)17-12-8-4-6-10-5-2-3-7-11(10)12/h2-9,13-20H,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.63E+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 (2010)


BindingDB Entry DOI: 10.7270/Q27H1H10
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (Human))
BDBM62871
PNG
(2-methyl-6-(1-naphthalenylamino)oxane-3,4,5-triol ...)
Show SMILES CC1OC(Nc2cccc3ccccc23)C(O)C(O)C1O
Show InChI InChI=1S/C16H19NO4/c1-9-13(18)14(19)15(20)16(21-9)17-12-8-4-6-10-5-2-3-7-11(10)12/h2-9,13-20H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 9.96E+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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Apoptotic protease-activating factor 1


(Homo sapiens (Human))
BDBM62871
PNG
(2-methyl-6-(1-naphthalenylamino)oxane-3,4,5-triol ...)
Show SMILES CC1OC(Nc2cccc3ccccc23)C(O)C(O)C1O
Show InChI InChI=1S/C16H19NO4/c1-9-13(18)14(19)15(20)16(21-9)17-12-8-4-6-10-5-2-3-7-11(10)12/h2-9,13-20H,1H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC sid
UniChem
PCBioAssay
n/an/a 1.48E+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))
BDBM62871
PNG
(2-methyl-6-(1-naphthalenylamino)oxane-3,4,5-triol ...)
Show SMILES CC1OC(Nc2cccc3ccccc23)C(O)C(O)C1O
Show InChI InChI=1S/C16H19NO4/c1-9-13(18)14(19)15(20)16(21-9)17-12-8-4-6-10-5-2-3-7-11(10)12/h2-9,13-20H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
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-3


(Homo sapiens (Human))
BDBM62871
PNG
(2-methyl-6-(1-naphthalenylamino)oxane-3,4,5-triol ...)
Show SMILES CC1OC(Nc2cccc3ccccc23)C(O)C(O)C1O
Show InChI InChI=1S/C16H19NO4/c1-9-13(18)14(19)15(20)16(21-9)17-12-8-4-6-10-5-2-3-7-11(10)12/h2-9,13-20H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 9.40E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2RJ4GZT
More data for this
Ligand-Target Pair