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BDBM28637 cid_4289057::ethyl 2-[(2-{[(2H-1,3-benzodioxol-5-ylmethyl)carbamoyl]methyl}-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy]propanoate::isoquinolinone scaffold, 1

SMILES: CCOC(=O)C(C)Oc1cccc2c1ccn(CC(=O)NCc1ccc3OCOc3c1)c2=O

InChI Key: InChIKey=NFBXJAYFPJYHPU-UHFFFAOYSA-N

Data: 6 IC50  1 EC50

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 = 28637   
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
Steroidogenic Factor 1


(Homo sapiens (human))
BDBM28637
PNG
(cid_4289057 | ethyl 2-[(2-{[(2H-1,3-benzodioxol-5-...)
Show SMILES CCOC(=O)C(C)Oc1cccc2c1ccn(CC(=O)NCc1ccc3OCOc3c1)c2=O
Show InChI InChI=1S/C24H24N2O7/c1-3-30-24(29)15(2)33-19-6-4-5-18-17(19)9-10-26(23(18)28)13-22(27)25-12-16-7-8-20-21(11-16)32-14-31-20/h4-11,15H,3,12-14H2,1-2H3,(H,25,27)
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PubMed
n/an/an/an/a 260n/an/an/an/a



Scripps Florida



Assay Description
The assay was to monitor the SF-1 activation state via co-transfection of CHO-K1 cells with a plasmid encoding a Gal4-SF-1 chimerical transcription f...


Bioorg Med Chem Lett 18: 2628-32 (2008)

More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (human))
BDBM28637
PNG
(cid_4289057 | ethyl 2-[(2-{[(2H-1,3-benzodioxol-5-...)
Show SMILES CCOC(=O)C(C)Oc1cccc2c1ccn(CC(=O)NCc1ccc3OCOc3c1)c2=O
Show InChI InChI=1S/C24H24N2O7/c1-3-30-24(29)15(2)33-19-6-4-5-18-17(19)9-10-26(23(18)28)13-22(27)25-12-16-7-8-20-21(11-16)32-14-31-20/h4-11,15H,3,12-14H2,1-2H3,(H,25,27)
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n/an/a 315n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM28637
PNG
(cid_4289057 | ethyl 2-[(2-{[(2H-1,3-benzodioxol-5-...)
Show SMILES CCOC(=O)C(C)Oc1cccc2c1ccn(CC(=O)NCc1ccc3OCOc3c1)c2=O
Show InChI InChI=1S/C24H24N2O7/c1-3-30-24(29)15(2)33-19-6-4-5-18-17(19)9-10-26(23(18)28)13-22(27)25-12-16-7-8-20-21(11-16)32-14-31-20/h4-11,15H,3,12-14H2,1-2H3,(H,25,27)
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n/an/a 3.35E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2


(Homo sapiens)
BDBM28637
PNG
(cid_4289057 | ethyl 2-[(2-{[(2H-1,3-benzodioxol-5-...)
Show SMILES CCOC(=O)C(C)Oc1cccc2c1ccn(CC(=O)NCc1ccc3OCOc3c1)c2=O
Show InChI InChI=1S/C24H24N2O7/c1-3-30-24(29)15(2)33-19-6-4-5-18-17(19)9-10-26(23(18)28)13-22(27)25-12-16-7-8-20-21(11-16)32-14-31-20/h4-11,15H,3,12-14H2,1-2H3,(H,25,27)
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n/an/a>1.00E+5n/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...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM28637
PNG
(cid_4289057 | ethyl 2-[(2-{[(2H-1,3-benzodioxol-5-...)
Show SMILES CCOC(=O)C(C)Oc1cccc2c1ccn(CC(=O)NCc1ccc3OCOc3c1)c2=O
Show InChI InChI=1S/C24H24N2O7/c1-3-30-24(29)15(2)33-19-6-4-5-18-17(19)9-10-26(23(18)28)13-22(27)25-12-16-7-8-20-21(11-16)32-14-31-20/h4-11,15H,3,12-14H2,1-2H3,(H,25,27)
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n/an/a>1.00E+5n/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, CA...


Citation and Details
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM28637
PNG
(cid_4289057 | ethyl 2-[(2-{[(2H-1,3-benzodioxol-5-...)
Show SMILES CCOC(=O)C(C)Oc1cccc2c1ccn(CC(=O)NCc1ccc3OCOc3c1)c2=O
Show InChI InChI=1S/C24H24N2O7/c1-3-30-24(29)15(2)33-19-6-4-5-18-17(19)9-10-26(23(18)28)13-22(27)25-12-16-7-8-20-21(11-16)32-14-31-20/h4-11,15H,3,12-14H2,1-2H3,(H,25,27)
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n/an/a 1.14E+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...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM28637
PNG
(cid_4289057 | ethyl 2-[(2-{[(2H-1,3-benzodioxol-5-...)
Show SMILES CCOC(=O)C(C)Oc1cccc2c1ccn(CC(=O)NCc1ccc3OCOc3c1)c2=O
Show InChI InChI=1S/C24H24N2O7/c1-3-30-24(29)15(2)33-19-6-4-5-18-17(19)9-10-26(23(18)28)13-22(27)25-12-16-7-8-20-21(11-16)32-14-31-20/h4-11,15H,3,12-14H2,1-2H3,(H,25,27)
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n/an/a>1.00E+5n/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...


Citation and Details
More data for this
Ligand-Target Pair