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BDBM51777 3-[7-[(6-chloranyl-1,3-benzodioxol-5-yl)methoxy]-4,8-dimethyl-2-oxidanylidene-chromen-3-yl]propanoic acid::3-[7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-2-keto-4,8-dimethyl-chromen-3-yl]propionic acid::3-[7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4,8-dimethyl-2-oxo-1-benzopyran-3-yl]propanoic acid::3-[7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4,8-dimethyl-2-oxochromen-3-yl]propanoic acid::3-{7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}propanoic acid::MLS000690543::SMR000300092::cid_1800867

SMILES: Cc1c(OCc2cc3OCOc3cc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12

InChI Key: InChIKey=CKYCEFTUODMZKE-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 = 51777   
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
MKP-3


(Rattus norvegicus)
BDBM51777
PNG
(3-[7-[(6-chloranyl-1,3-benzodioxol-5-yl)methoxy]-4...)
Show SMILES Cc1c(OCc2cc3OCOc3cc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C22H19ClO7/c1-11-14-3-5-17(12(2)21(14)30-22(26)15(11)4-6-20(24)25)27-9-13-7-18-19(8-16(13)23)29-10-28-18/h3,5,7-8H,4,6,9-10H2,1-2H3,(H,24,25)
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n/an/a 7.87E+4n/an/an/an/an/an/a



Sanford-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 (2009)


Article DOI: 10.1021/cb400150c
BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM51777
PNG
(3-[7-[(6-chloranyl-1,3-benzodioxol-5-yl)methoxy]-4...)
Show SMILES Cc1c(OCc2cc3OCOc3cc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C22H19ClO7/c1-11-14-3-5-17(12(2)21(14)30-22(26)15(11)4-6-20(24)25)27-9-13-7-18-19(8-16(13)23)29-10-28-18/h3,5,7-8H,4,6,9-10H2,1-2H3,(H,24,25)
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n/an/a 2.99E+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 (2009)


Article DOI: 10.1021/cb400100g
BindingDB Entry DOI: 10.7270/Q29G5K79
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM51777
PNG
(3-[7-[(6-chloranyl-1,3-benzodioxol-5-yl)methoxy]-4...)
Show SMILES Cc1c(OCc2cc3OCOc3cc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C22H19ClO7/c1-11-14-3-5-17(12(2)21(14)30-22(26)15(11)4-6-20(24)25)27-9-13-7-18-19(8-16(13)23)29-10-28-18/h3,5,7-8H,4,6,9-10H2,1-2H3,(H,24,25)
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n/an/a 1.74E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2445JXV
More data for this
Ligand-Target Pair
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens (Human))
BDBM51777
PNG
(3-[7-[(6-chloranyl-1,3-benzodioxol-5-yl)methoxy]-4...)
Show SMILES Cc1c(OCc2cc3OCOc3cc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C22H19ClO7/c1-11-14-3-5-17(12(2)21(14)30-22(26)15(11)4-6-20(24)25)27-9-13-7-18-19(8-16(13)23)29-10-28-18/h3,5,7-8H,4,6,9-10H2,1-2H3,(H,24,25)
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n/an/a 3.17E+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 (2011)


Article DOI: 10.1016/j.bioorg.2015.08.001
BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM51777
PNG
(3-[7-[(6-chloranyl-1,3-benzodioxol-5-yl)methoxy]-4...)
Show SMILES Cc1c(OCc2cc3OCOc3cc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C22H19ClO7/c1-11-14-3-5-17(12(2)21(14)30-22(26)15(11)4-6-20(24)25)27-9-13-7-18-19(8-16(13)23)29-10-28-18/h3,5,7-8H,4,6,9-10H2,1-2H3,(H,24,25)
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n/an/a 3.97E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM51777
PNG
(3-[7-[(6-chloranyl-1,3-benzodioxol-5-yl)methoxy]-4...)
Show SMILES Cc1c(OCc2cc3OCOc3cc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C22H19ClO7/c1-11-14-3-5-17(12(2)21(14)30-22(26)15(11)4-6-20(24)25)27-9-13-7-18-19(8-16(13)23)29-10-28-18/h3,5,7-8H,4,6,9-10H2,1-2H3,(H,24,25)
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n/an/a 8.04E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM51777
PNG
(3-[7-[(6-chloranyl-1,3-benzodioxol-5-yl)methoxy]-4...)
Show SMILES Cc1c(OCc2cc3OCOc3cc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C22H19ClO7/c1-11-14-3-5-17(12(2)21(14)30-22(26)15(11)4-6-20(24)25)27-9-13-7-18-19(8-16(13)23)29-10-28-18/h3,5,7-8H,4,6,9-10H2,1-2H3,(H,24,25)
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n/an/a 1.51E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2T43RPN
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM51777
PNG
(3-[7-[(6-chloranyl-1,3-benzodioxol-5-yl)methoxy]-4...)
Show SMILES Cc1c(OCc2cc3OCOc3cc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C22H19ClO7/c1-11-14-3-5-17(12(2)21(14)30-22(26)15(11)4-6-20(24)25)27-9-13-7-18-19(8-16(13)23)29-10-28-18/h3,5,7-8H,4,6,9-10H2,1-2H3,(H,24,25)
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n/an/a>8.00E+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, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2KH0KWR
More data for this
Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM51777
PNG
(3-[7-[(6-chloranyl-1,3-benzodioxol-5-yl)methoxy]-4...)
Show SMILES Cc1c(OCc2cc3OCOc3cc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C22H19ClO7/c1-11-14-3-5-17(12(2)21(14)30-22(26)15(11)4-6-20(24)25)27-9-13-7-18-19(8-16(13)23)29-10-28-18/h3,5,7-8H,4,6,9-10H2,1-2H3,(H,24,25)
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n/an/a 9.00E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2FQ9V6B
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM51777
PNG
(3-[7-[(6-chloranyl-1,3-benzodioxol-5-yl)methoxy]-4...)
Show SMILES Cc1c(OCc2cc3OCOc3cc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C22H19ClO7/c1-11-14-3-5-17(12(2)21(14)30-22(26)15(11)4-6-20(24)25)27-9-13-7-18-19(8-16(13)23)29-10-28-18/h3,5,7-8H,4,6,9-10H2,1-2H3,(H,24,25)
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n/an/a 2.49E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM51777
PNG
(3-[7-[(6-chloranyl-1,3-benzodioxol-5-yl)methoxy]-4...)
Show SMILES Cc1c(OCc2cc3OCOc3cc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C22H19ClO7/c1-11-14-3-5-17(12(2)21(14)30-22(26)15(11)4-6-20(24)25)27-9-13-7-18-19(8-16(13)23)29-10-28-18/h3,5,7-8H,4,6,9-10H2,1-2H3,(H,24,25)
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n/an/a 1.67E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2959G44
More data for this
Ligand-Target Pair