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BDBM88798 2-(2-keto-3,4,8-trimethyl-chromen-7-yl)oxy-N-(4-sulfamoylphenyl)acetamide::MLS001158184::N-(4-sulfamoylphenyl)-2-(3,4,8-trimethyl-2-oxidanylidene-chromen-7-yl)oxy-ethanamide::N-(4-sulfamoylphenyl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide::N-(4-sulfamoylphenyl)-2-[(3,4,8-trimethyl-2-oxo-1-benzopyran-7-yl)oxy]acetamide::SMR000652408::cid_8035150

SMILES: Cc1c(C)c(=O)oc2c(C)c(OCC(=O)Nc3ccc(cc3)S(N)(=O)=O)ccc12

InChI Key: InChIKey=MCOLHFDAZUAZEW-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 88798   
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
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM88798
PNG
(2-(2-keto-3,4,8-trimethyl-chromen-7-yl)oxy-N-(4-su...)
Show SMILES Cc1c(C)c(=O)oc2c(C)c(OCC(=O)Nc3ccc(cc3)S(N)(=O)=O)ccc12
Show InChI InChI=1S/C20H20N2O6S/c1-11-12(2)20(24)28-19-13(3)17(9-8-16(11)19)27-10-18(23)22-14-4-6-15(7-5-14)29(21,25)26/h4-9H,10H2,1-3H3,(H,22,23)(H2,21,25,26)
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KEGG

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n/an/a 2.29E+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/Q2DV1HGT
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM88798
PNG
(2-(2-keto-3,4,8-trimethyl-chromen-7-yl)oxy-N-(4-su...)
Show SMILES Cc1c(C)c(=O)oc2c(C)c(OCC(=O)Nc3ccc(cc3)S(N)(=O)=O)ccc12
Show InChI InChI=1S/C20H20N2O6S/c1-11-12(2)20(24)28-19-13(3)17(9-8-16(11)19)27-10-18(23)22-14-4-6-15(7-5-14)29(21,25)26/h4-9H,10H2,1-3H3,(H,22,23)(H2,21,25,26)
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n/an/a 1.08E+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/Q2959G44
More data for this
Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM88798
PNG
(2-(2-keto-3,4,8-trimethyl-chromen-7-yl)oxy-N-(4-su...)
Show SMILES Cc1c(C)c(=O)oc2c(C)c(OCC(=O)Nc3ccc(cc3)S(N)(=O)=O)ccc12
Show InChI InChI=1S/C20H20N2O6S/c1-11-12(2)20(24)28-19-13(3)17(9-8-16(11)19)27-10-18(23)22-14-4-6-15(7-5-14)29(21,25)26/h4-9H,10H2,1-3H3,(H,22,23)(H2,21,25,26)
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n/an/a 4.49E+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/Q2FQ9V6B
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM88798
PNG
(2-(2-keto-3,4,8-trimethyl-chromen-7-yl)oxy-N-(4-su...)
Show SMILES Cc1c(C)c(=O)oc2c(C)c(OCC(=O)Nc3ccc(cc3)S(N)(=O)=O)ccc12
Show InChI InChI=1S/C20H20N2O6S/c1-11-12(2)20(24)28-19-13(3)17(9-8-16(11)19)27-10-18(23)22-14-4-6-15(7-5-14)29(21,25)26/h4-9H,10H2,1-3H3,(H,22,23)(H2,21,25,26)
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n/an/a 3.61E+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
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM88798
PNG
(2-(2-keto-3,4,8-trimethyl-chromen-7-yl)oxy-N-(4-su...)
Show SMILES Cc1c(C)c(=O)oc2c(C)c(OCC(=O)Nc3ccc(cc3)S(N)(=O)=O)ccc12
Show InChI InChI=1S/C20H20N2O6S/c1-11-12(2)20(24)28-19-13(3)17(9-8-16(11)19)27-10-18(23)22-14-4-6-15(7-5-14)29(21,25)26/h4-9H,10H2,1-3H3,(H,22,23)(H2,21,25,26)
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n/an/a 6.82E+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