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BDBM61257 2-(2-keto-4-propyl-chromen-7-yl)oxy-N-(4-sulfamoylphenyl)acetamide::2-(2-oxidanylidene-4-propyl-chromen-7-yl)oxy-N-(4-sulfamoylphenyl)ethanamide::2-(2-oxo-4-propylchromen-7-yl)oxy-N-(4-sulfamoylphenyl)acetamide::2-[(2-oxo-4-propyl-1-benzopyran-7-yl)oxy]-N-(4-sulfamoylphenyl)acetamide::MLS001159997::SMR000653076::cid_8034406

SMILES: CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(cc3)S(N)(=O)=O)ccc12

InChI Key: InChIKey=HBNQUISCOCBVHL-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 = 61257   
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))
BDBM61257
PNG
(2-(2-keto-4-propyl-chromen-7-yl)oxy-N-(4-sulfamoyl...)
Show SMILES CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(cc3)S(N)(=O)=O)ccc12
Show InChI InChI=1S/C20H20N2O6S/c1-2-3-13-10-20(24)28-18-11-15(6-9-17(13)18)27-12-19(23)22-14-4-7-16(8-5-14)29(21,25)26/h4-11H,2-3,12H2,1H3,(H,22,23)(H2,21,25,26)
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n/an/a 6.11E+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
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM61257
PNG
(2-(2-keto-4-propyl-chromen-7-yl)oxy-N-(4-sulfamoyl...)
Show SMILES CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(cc3)S(N)(=O)=O)ccc12
Show InChI InChI=1S/C20H20N2O6S/c1-2-3-13-10-20(24)28-18-11-15(6-9-17(13)18)27-12-19(23)22-14-4-7-16(8-5-14)29(21,25)26/h4-11H,2-3,12H2,1H3,(H,22,23)(H2,21,25,26)
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n/an/a 1.42E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens (Human))
BDBM61257
PNG
(2-(2-keto-4-propyl-chromen-7-yl)oxy-N-(4-sulfamoyl...)
Show SMILES CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(cc3)S(N)(=O)=O)ccc12
Show InChI InChI=1S/C20H20N2O6S/c1-2-3-13-10-20(24)28-18-11-15(6-9-17(13)18)27-12-19(23)22-14-4-7-16(8-5-14)29(21,25)26/h4-11H,2-3,12H2,1H3,(H,22,23)(H2,21,25,26)
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n/an/a 1.15E+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
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM61257
PNG
(2-(2-keto-4-propyl-chromen-7-yl)oxy-N-(4-sulfamoyl...)
Show SMILES CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(cc3)S(N)(=O)=O)ccc12
Show InChI InChI=1S/C20H20N2O6S/c1-2-3-13-10-20(24)28-18-11-15(6-9-17(13)18)27-12-19(23)22-14-4-7-16(8-5-14)29(21,25)26/h4-11H,2-3,12H2,1H3,(H,22,23)(H2,21,25,26)
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n/an/a 1.55E+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))
BDBM61257
PNG
(2-(2-keto-4-propyl-chromen-7-yl)oxy-N-(4-sulfamoyl...)
Show SMILES CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(cc3)S(N)(=O)=O)ccc12
Show InChI InChI=1S/C20H20N2O6S/c1-2-3-13-10-20(24)28-18-11-15(6-9-17(13)18)27-12-19(23)22-14-4-7-16(8-5-14)29(21,25)26/h4-11H,2-3,12H2,1H3,(H,22,23)(H2,21,25,26)
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n/an/a 5.69E+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
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM61257
PNG
(2-(2-keto-4-propyl-chromen-7-yl)oxy-N-(4-sulfamoyl...)
Show SMILES CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(cc3)S(N)(=O)=O)ccc12
Show InChI InChI=1S/C20H20N2O6S/c1-2-3-13-10-20(24)28-18-11-15(6-9-17(13)18)27-12-19(23)22-14-4-7-16(8-5-14)29(21,25)26/h4-11H,2-3,12H2,1H3,(H,22,23)(H2,21,25,26)
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n/an/a 3.10E+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
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM61257
PNG
(2-(2-keto-4-propyl-chromen-7-yl)oxy-N-(4-sulfamoyl...)
Show SMILES CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(cc3)S(N)(=O)=O)ccc12
Show InChI InChI=1S/C20H20N2O6S/c1-2-3-13-10-20(24)28-18-11-15(6-9-17(13)18)27-12-19(23)22-14-4-7-16(8-5-14)29(21,25)26/h4-11H,2-3,12H2,1H3,(H,22,23)(H2,21,25,26)
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n/an/a>6.71E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2KD1WJB
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM61257
PNG
(2-(2-keto-4-propyl-chromen-7-yl)oxy-N-(4-sulfamoyl...)
Show SMILES CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(cc3)S(N)(=O)=O)ccc12
Show InChI InChI=1S/C20H20N2O6S/c1-2-3-13-10-20(24)28-18-11-15(6-9-17(13)18)27-12-19(23)22-14-4-7-16(8-5-14)29(21,25)26/h4-11H,2-3,12H2,1H3,(H,22,23)(H2,21,25,26)
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n/an/a>6.71E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM61257
PNG
(2-(2-keto-4-propyl-chromen-7-yl)oxy-N-(4-sulfamoyl...)
Show SMILES CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(cc3)S(N)(=O)=O)ccc12
Show InChI InChI=1S/C20H20N2O6S/c1-2-3-13-10-20(24)28-18-11-15(6-9-17(13)18)27-12-19(23)22-14-4-7-16(8-5-14)29(21,25)26/h4-11H,2-3,12H2,1H3,(H,22,23)(H2,21,25,26)
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n/an/a>6.71E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q29W0D3P
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM61257
PNG
(2-(2-keto-4-propyl-chromen-7-yl)oxy-N-(4-sulfamoyl...)
Show SMILES CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(cc3)S(N)(=O)=O)ccc12
Show InChI InChI=1S/C20H20N2O6S/c1-2-3-13-10-20(24)28-18-11-15(6-9-17(13)18)27-12-19(23)22-14-4-7-16(8-5-14)29(21,25)26/h4-11H,2-3,12H2,1H3,(H,22,23)(H2,21,25,26)
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n/an/a 3.06E+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))
BDBM61257
PNG
(2-(2-keto-4-propyl-chromen-7-yl)oxy-N-(4-sulfamoyl...)
Show SMILES CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(cc3)S(N)(=O)=O)ccc12
Show InChI InChI=1S/C20H20N2O6S/c1-2-3-13-10-20(24)28-18-11-15(6-9-17(13)18)27-12-19(23)22-14-4-7-16(8-5-14)29(21,25)26/h4-11H,2-3,12H2,1H3,(H,22,23)(H2,21,25,26)
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n/an/a 1.15E+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