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BDBM61210 3-Acetyl-3a,8b-dihydroxy-2-methyl-3a,8b-dihydro-indeno[1,2-b]furan-4-one::3-acetyl-3a,8b-dihydroxy-2-methyl-4-indeno[1,2-b]furanone::3-acetyl-3a,8b-dihydroxy-2-methyl-indeno[1,2-b]furan-4-one::3-acetyl-3a,8b-dihydroxy-2-methylindeno[1,2-b]furan-4-one::3-ethanoyl-2-methyl-3a,8b-bis(oxidanyl)indeno[1,2-b]furan-4-one::MLS000768249::SMR000431570::cid_2828331

SMILES: CC(=O)C1=C(C)OC2(O)c3ccccc3C(=O)C12O

InChI Key: InChIKey=RSHLNQWVQAWODW-UHFFFAOYSA-N

Data: 11 IC50

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 11 hits for monomerid = 61210   
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 E2I


(Homo sapiens (Human))
BDBM61210
PNG
(3-Acetyl-3a,8b-dihydroxy-2-methyl-3a,8b-dihydro-in...)
Show SMILES CC(=O)C1=C(C)OC2(O)c3ccccc3C(=O)C12O |c:3|
Show InChI InChI=1S/C14H12O5/c1-7(15)11-8(2)19-14(18)10-6-4-3-5-9(10)12(16)13(11,14)17/h3-6,17-18H,1-2H3
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n/an/a 3.09E+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/Q2V986G8
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens (Human))
BDBM61210
PNG
(3-Acetyl-3a,8b-dihydroxy-2-methyl-3a,8b-dihydro-in...)
Show SMILES CC(=O)C1=C(C)OC2(O)c3ccccc3C(=O)C12O |c:3|
Show InChI InChI=1S/C14H12O5/c1-7(15)11-8(2)19-14(18)10-6-4-3-5-9(10)12(16)13(11,14)17/h3-6,17-18H,1-2H3
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n/an/a 1.66E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2BP0175
More data for this
Ligand-Target Pair
protein phosphatase 1, catalytic subunit, alpha isoform 3


(Homo sapiens (Human))
BDBM61210
PNG
(3-Acetyl-3a,8b-dihydroxy-2-methyl-3a,8b-dihydro-in...)
Show SMILES CC(=O)C1=C(C)OC2(O)c3ccccc3C(=O)C12O |c:3|
Show InChI InChI=1S/C14H12O5/c1-7(15)11-8(2)19-14(18)10-6-4-3-5-9(10)12(16)13(11,14)17/h3-6,17-18H,1-2H3
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n/an/a 6.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27M06CD
More data for this
Ligand-Target Pair
PPP5C protein


(Homo sapiens (Human))
BDBM61210
PNG
(3-Acetyl-3a,8b-dihydroxy-2-methyl-3a,8b-dihydro-in...)
Show SMILES CC(=O)C1=C(C)OC2(O)c3ccccc3C(=O)C12O |c:3|
Show InChI InChI=1S/C14H12O5/c1-7(15)11-8(2)19-14(18)10-6-4-3-5-9(10)12(16)13(11,14)17/h3-6,17-18H,1-2H3
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n/an/a 2.48E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23T9FN4
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (Human))
BDBM61210
PNG
(3-Acetyl-3a,8b-dihydroxy-2-methyl-3a,8b-dihydro-in...)
Show SMILES CC(=O)C1=C(C)OC2(O)c3ccccc3C(=O)C12O |c:3|
Show InChI InChI=1S/C14H12O5/c1-7(15)11-8(2)19-14(18)10-6-4-3-5-9(10)12(16)13(11,14)17/h3-6,17-18H,1-2H3
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n/an/a 1.16E+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/Q25M647F
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM61210
PNG
(3-Acetyl-3a,8b-dihydroxy-2-methyl-3a,8b-dihydro-in...)
Show SMILES CC(=O)C1=C(C)OC2(O)c3ccccc3C(=O)C12O |c:3|
Show InChI InChI=1S/C14H12O5/c1-7(15)11-8(2)19-14(18)10-6-4-3-5-9(10)12(16)13(11,14)17/h3-6,17-18H,1-2H3
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n/an/a 7.52E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM61210
PNG
(3-Acetyl-3a,8b-dihydroxy-2-methyl-3a,8b-dihydro-in...)
Show SMILES CC(=O)C1=C(C)OC2(O)c3ccccc3C(=O)C12O |c:3|
Show InChI InChI=1S/C14H12O5/c1-7(15)11-8(2)19-14(18)10-6-4-3-5-9(10)12(16)13(11,14)17/h3-6,17-18H,1-2H3
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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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM61210
PNG
(3-Acetyl-3a,8b-dihydroxy-2-methyl-3a,8b-dihydro-in...)
Show SMILES CC(=O)C1=C(C)OC2(O)c3ccccc3C(=O)C12O |c:3|
Show InChI InChI=1S/C14H12O5/c1-7(15)11-8(2)19-14(18)10-6-4-3-5-9(10)12(16)13(11,14)17/h3-6,17-18H,1-2H3
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n/an/a>7.34E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2RB736G
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM61210
PNG
(3-Acetyl-3a,8b-dihydroxy-2-methyl-3a,8b-dihydro-in...)
Show SMILES CC(=O)C1=C(C)OC2(O)c3ccccc3C(=O)C12O |c:3|
Show InChI InChI=1S/C14H12O5/c1-7(15)11-8(2)19-14(18)10-6-4-3-5-9(10)12(16)13(11,14)17/h3-6,17-18H,1-2H3
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n/an/a 754n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM61210
PNG
(3-Acetyl-3a,8b-dihydroxy-2-methyl-3a,8b-dihydro-in...)
Show SMILES CC(=O)C1=C(C)OC2(O)c3ccccc3C(=O)C12O |c:3|
Show InChI InChI=1S/C14H12O5/c1-7(15)11-8(2)19-14(18)10-6-4-3-5-9(10)12(16)13(11,14)17/h3-6,17-18H,1-2H3
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n/an/a 754n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM61210
PNG
(3-Acetyl-3a,8b-dihydroxy-2-methyl-3a,8b-dihydro-in...)
Show SMILES CC(=O)C1=C(C)OC2(O)c3ccccc3C(=O)C12O |c:3|
Show InChI InChI=1S/C14H12O5/c1-7(15)11-8(2)19-14(18)10-6-4-3-5-9(10)12(16)13(11,14)17/h3-6,17-18H,1-2H3
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n/an/a 8.19E+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/Q2JS9NZB
More data for this
Ligand-Target Pair