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SMILES: COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1C(O)=O

InChI Key: InChIKey=XOKVHFNTYHPEHN-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 9 hits for monomerid = 50711   
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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50711
PNG
(2-(2-carbomethoxy-4-hydroxy-6-methoxy-phenoxy)-6-h...)
Show SMILES COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1C(O)=O
Show InChI InChI=1S/C17H16O8/c1-8-4-11(19)14(16(20)21)12(5-8)25-15-10(17(22)24-3)6-9(18)7-13(15)23-2/h4-7,18-19H,1-3H3,(H,20,21)
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n/an/a 2.42E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
SUMO-conjugating enzyme UBC9


(Homo sapiens (Human))
BDBM50711
PNG
(2-(2-carbomethoxy-4-hydroxy-6-methoxy-phenoxy)-6-h...)
Show SMILES COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1C(O)=O
Show InChI InChI=1S/C17H16O8/c1-8-4-11(19)14(16(20)21)12(5-8)25-15-10(17(22)24-3)6-9(18)7-13(15)23-2/h4-7,18-19H,1-3H3,(H,20,21)
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n/an/a 7.42E+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
SUMO-activating enzyme subunit 1


(Homo sapiens (Human))
BDBM50711
PNG
(2-(2-carbomethoxy-4-hydroxy-6-methoxy-phenoxy)-6-h...)
Show SMILES COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1C(O)=O
Show InChI InChI=1S/C17H16O8/c1-8-4-11(19)14(16(20)21)12(5-8)25-15-10(17(22)24-3)6-9(18)7-13(15)23-2/h4-7,18-19H,1-3H3,(H,20,21)
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n/an/a 1.77E+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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50711
PNG
(2-(2-carbomethoxy-4-hydroxy-6-methoxy-phenoxy)-6-h...)
Show SMILES COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1C(O)=O
Show InChI InChI=1S/C17H16O8/c1-8-4-11(19)14(16(20)21)12(5-8)25-15-10(17(22)24-3)6-9(18)7-13(15)23-2/h4-7,18-19H,1-3H3,(H,20,21)
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n/an/a 5.48E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2J67FCM
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50711
PNG
(2-(2-carbomethoxy-4-hydroxy-6-methoxy-phenoxy)-6-h...)
Show SMILES COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1C(O)=O
Show InChI InChI=1S/C17H16O8/c1-8-4-11(19)14(16(20)21)12(5-8)25-15-10(17(22)24-3)6-9(18)7-13(15)23-2/h4-7,18-19H,1-3H3,(H,20,21)
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PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



University of Western Australia

Curated by ChEMBL


Assay Description
Displacement of endothelin-1 from ETA receptor in rat A10 cells


J Nat Prod 65: 7-10 (2002)


BindingDB Entry DOI: 10.7270/Q2FB53VF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50711
PNG
(2-(2-carbomethoxy-4-hydroxy-6-methoxy-phenoxy)-6-h...)
Show SMILES COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1C(O)=O
Show InChI InChI=1S/C17H16O8/c1-8-4-11(19)14(16(20)21)12(5-8)25-15-10(17(22)24-3)6-9(18)7-13(15)23-2/h4-7,18-19H,1-3H3,(H,20,21)
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n/an/a 2.07E+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
PC4 and SFRS1-interacting protein


(Homo sapiens (Human))
BDBM50711
PNG
(2-(2-carbomethoxy-4-hydroxy-6-methoxy-phenoxy)-6-h...)
Show SMILES COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1C(O)=O
Show InChI InChI=1S/C17H16O8/c1-8-4-11(19)14(16(20)21)12(5-8)25-15-10(17(22)24-3)6-9(18)7-13(15)23-2/h4-7,18-19H,1-3H3,(H,20,21)
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n/an/a 4.57E+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) 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))
BDBM50711
PNG
(2-(2-carbomethoxy-4-hydroxy-6-methoxy-phenoxy)-6-h...)
Show SMILES COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1C(O)=O
Show InChI InChI=1S/C17H16O8/c1-8-4-11(19)14(16(20)21)12(5-8)25-15-10(17(22)24-3)6-9(18)7-13(15)23-2/h4-7,18-19H,1-3H3,(H,20,21)
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n/an/a 2.59E+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) Affiliation: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2KD1WKS
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50711
PNG
(2-(2-carbomethoxy-4-hydroxy-6-methoxy-phenoxy)-6-h...)
Show SMILES COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1C(O)=O
Show InChI InChI=1S/C17H16O8/c1-8-4-11(19)14(16(20)21)12(5-8)25-15-10(17(22)24-3)6-9(18)7-13(15)23-2/h4-7,18-19H,1-3H3,(H,20,21)
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n/an/a 5.42E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair