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SMILES: Oc1cc2c(c(O)c1O)c1oc(=O)c(O)cc1oc2=O

InChI Key: InChIKey=VYKVZHXHVUVABA-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 = 114257   
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
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))
BDBM114257
PNG
(3,8,9,10-tetrahydroxypyran[3,2-c]isochromene-2,6-q...)
Show SMILES Oc1cc2c(c(O)c1O)c1oc(=O)c(O)cc1oc2=O
Show InChI InChI=1S/C12H6O8/c13-4-1-3-7(9(16)8(4)15)10-6(19-11(3)17)2-5(14)12(18)20-10/h1-2,13-16H
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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MCE
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.23E+5n/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 Ass...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
PC4 and SFRS1-interacting protein


(Homo sapiens (Human))
BDBM114257
PNG
(3,8,9,10-tetrahydroxypyran[3,2-c]isochromene-2,6-q...)
Show SMILES Oc1cc2c(c(O)c1O)c1oc(=O)c(O)cc1oc2=O
Show InChI InChI=1S/C12H6O8/c13-4-1-3-7(9(16)8(4)15)10-6(19-11(3)17)2-5(14)12(18)20-10/h1-2,13-16H
PDB
MMDB

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n/an/a 354n/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: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2Q52N9H
More data for this
Ligand-Target Pair
PC4 and SFRS1-interacting protein


(Homo sapiens (Human))
BDBM114257
PNG
(3,8,9,10-tetrahydroxypyran[3,2-c]isochromene-2,6-q...)
Show SMILES Oc1cc2c(c(O)c1O)c1oc(=O)c(O)cc1oc2=O
Show InChI InChI=1S/C12H6O8/c13-4-1-3-7(9(16)8(4)15)10-6(19-11(3)17)2-5(14)12(18)20-10/h1-2,13-16H
PDB
MMDB

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n/an/a 244n/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: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2KD1WKS
More data for this
Ligand-Target Pair
Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2


(Homo sapiens (Human))
BDBM114257
PNG
(3,8,9,10-tetrahydroxypyran[3,2-c]isochromene-2,6-q...)
Show SMILES Oc1cc2c(c(O)c1O)c1oc(=O)c(O)cc1oc2=O
Show InChI InChI=1S/C12H6O8/c13-4-1-3-7(9(16)8(4)15)10-6(19-11(3)17)2-5(14)12(18)20-10/h1-2,13-16H
PDB

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UniChem
Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SHIP2 catalytic domain (419 to 832 residues) phosphatase activity assessed as inhibition of Ins(1,3,4,5)P4 production using Ins(1...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01944
BindingDB Entry DOI: 10.7270/Q2V98CZM
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))
BDBM114257
PNG
(3,8,9,10-tetrahydroxypyran[3,2-c]isochromene-2,6-q...)
Show SMILES Oc1cc2c(c(O)c1O)c1oc(=O)c(O)cc1oc2=O
Show InChI InChI=1S/C12H6O8/c13-4-1-3-7(9(16)8(4)15)10-6(19-11(3)17)2-5(14)12(18)20-10/h1-2,13-16H
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human APE1 using a 5'-TAMRA labelled THF abasic site double-stranded oligodeoxynucleotide as substrate in presence of Mg2+ by fluoresce...


Bioorg Med Chem 25: 2531-2544 (2017)


Article DOI: 10.1016/j.bmc.2017.01.028
BindingDB Entry DOI: 10.7270/Q2P55R4B
More data for this
Ligand-Target Pair
Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2


(Homo sapiens (Human))
BDBM114257
PNG
(3,8,9,10-tetrahydroxypyran[3,2-c]isochromene-2,6-q...)
Show SMILES Oc1cc2c(c(O)c1O)c1oc(=O)c(O)cc1oc2=O
Show InChI InChI=1S/C12H6O8/c13-4-1-3-7(9(16)8(4)15)10-6(19-11(3)17)2-5(14)12(18)20-10/h1-2,13-16H
PDB

UniProtKB/SwissProt

antibodypedia
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SHIP2 catalytic domain (419 to 832 residues) phosphatase activity assessed as phosphate release using Ins(1,3,4,5)P4 as substrate...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01944
BindingDB Entry DOI: 10.7270/Q2V98CZM
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3


(Homo sapiens (Human))
BDBM114257
PNG
(3,8,9,10-tetrahydroxypyran[3,2-c]isochromene-2,6-q...)
Show SMILES Oc1cc2c(c(O)c1O)c1oc(=O)c(O)cc1oc2=O
Show InChI InChI=1S/C12H6O8/c13-4-1-3-7(9(16)8(4)15)10-6(19-11(3)17)2-5(14)12(18)20-10/h1-2,13-16H
PDB
MMDB

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PC cid
PC sid
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n/an/a 1.23E+5n/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 Ass...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2S46QKQ
More data for this
Ligand-Target Pair