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Compile Data Set for Download or QSAR

Found 18 hits from CHILDREN HOSPITAL MEDICAL CENTER   
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
Eyes absent homolog 3 (EYA3)


(Homo sapiens (Human))
BDBM50209206
PNG
((2-ethylbenzofuran-3-yl)(4-hydroxy-3,5-diiodopheny...)
Show SMILES CCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1
Show InChI InChI=1S/C17H12I2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



CHILDREN HOSPITAL MEDICAL CENTER

US Patent


Assay Description
An inhibitory assay was conducted using the previously described p-nitrophenylphosphate assay (Rayapureddi, J. P. et al. Nature 426, 295-298 (2003))....


US Patent US9725430 (2017)

More data for this
Ligand-Target Pair
Eyes absent homolog 3 (EYA3)


(Homo sapiens (Human))
BDBM50158460
PNG
((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)
Show SMILES CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
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n/an/a 8.30E+3n/an/an/an/an/an/a



CHILDREN HOSPITAL MEDICAL CENTER

US Patent


Assay Description
An inhibitory assay was conducted using the previously described p-nitrophenylphosphate assay (Rayapureddi, J. P. et al. Nature 426, 295-298 (2003))....


US Patent US9725430 (2017)

More data for this
Ligand-Target Pair
Eyes absent homolog 3 (EYA3)


(Homo sapiens (Human))
BDBM50158465
PNG
((4-hydroxy-3,5-diiodophenyl)(2-methylbenzofuran-3-...)
Show SMILES Cc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1
Show InChI InChI=1S/C16H10I2O3/c1-8-14(10-4-2-3-5-13(10)21-8)15(19)9-6-11(17)16(20)12(18)7-9/h2-7,20H,1H3
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n/an/a 8.30E+3n/an/an/an/an/an/a



CHILDREN HOSPITAL MEDICAL CENTER

US Patent


Assay Description
An inhibitory assay was conducted using the previously described p-nitrophenylphosphate assay (Rayapureddi, J. P. et al. Nature 426, 295-298 (2003))....


US Patent US9725430 (2017)

More data for this
Ligand-Target Pair
Eyes absent homolog 3 (EYA3) (ED)


(Homo sapiens (Human))
BDBM18964
PNG
(4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenol | L ...)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C19H18O3/c1-2-3-7-17-18(15-6-4-5-8-16(15)22-17)19(21)13-9-11-14(20)12-10-13/h4-6,8-12,20H,2-3,7H2,1H3
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n/an/a 1.01E+4n/an/an/an/an/an/a



CHILDREN HOSPITAL MEDICAL CENTER

US Patent


Assay Description
An inhibitory assay was conducted using the previously described p-nitrophenylphosphate assay (Rayapureddi, J. P. et al. Nature 426, 295-298 (2003))....


US Patent US9725430 (2017)

More data for this
Ligand-Target Pair
Eyes absent homolog 3 (EYA3) (ED)


(Homo sapiens (Human))
BDBM50158460
PNG
((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)
Show SMILES CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



CHILDREN HOSPITAL MEDICAL CENTER

US Patent


Assay Description
An inhibitory assay was conducted using the previously described p-nitrophenylphosphate assay (Rayapureddi, J. P. et al. Nature 426, 295-298 (2003))....


US Patent US9725430 (2017)

More data for this
Ligand-Target Pair
Eyes absent homolog 3 (EYA3)


(Homo sapiens (Human))
BDBM330348
PNG
(US9725430, Compound 1e)
Show SMILES CC(O)Cc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1
Show InChI InChI=1S/C18H14I2O4/c1-9(21)6-15-16(11-4-2-3-5-14(11)24-15)17(22)10-7-12(19)18(23)13(20)8-10/h2-5,7-9,21,23H,6H2,1H3
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US Patent
n/an/a 1.38E+4n/an/an/an/an/an/a



CHILDREN HOSPITAL MEDICAL CENTER

US Patent


Assay Description
An inhibitory assay was conducted using the previously described p-nitrophenylphosphate assay (Rayapureddi, J. P. et al. Nature 426, 295-298 (2003))....


US Patent US9725430 (2017)

More data for this
Ligand-Target Pair
Eyes absent homolog 3 (EYA3)


(Homo sapiens (Human))
BDBM18964
PNG
(4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenol | L ...)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C19H18O3/c1-2-3-7-17-18(15-6-4-5-8-16(15)22-17)19(21)13-9-11-14(20)12-10-13/h4-6,8-12,20H,2-3,7H2,1H3
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n/an/a 1.52E+4n/an/an/an/an/an/a



CHILDREN HOSPITAL MEDICAL CENTER

US Patent


Assay Description
An inhibitory assay was conducted using the previously described p-nitrophenylphosphate assay (Rayapureddi, J. P. et al. Nature 426, 295-298 (2003))....


US Patent US9725430 (2017)

More data for this
Ligand-Target Pair
Eyes absent homolog 3 (EYA3)


(Homo sapiens (Human))
BDBM50342278
PNG
((2-Ethylbenzofuran-3-yl)(4-hydroxyphenyl)methanone...)
Show SMILES CCc1oc2ccccc2c1C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C17H14O3/c1-2-14-16(13-5-3-4-6-15(13)20-14)17(19)11-7-9-12(18)10-8-11/h3-10,18H,2H2,1H3
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n/an/a 1.70E+4n/an/an/an/an/an/a



CHILDREN HOSPITAL MEDICAL CENTER

US Patent


Assay Description
An inhibitory assay was conducted using the previously described p-nitrophenylphosphate assay (Rayapureddi, J. P. et al. Nature 426, 295-298 (2003))....


US Patent US9725430 (2017)

More data for this
Ligand-Target Pair
Eyes absent homolog 3 (EYA3)


(Homo sapiens (Human))
BDBM330350
PNG
(US9725430, Compound 1f)
Show SMILES Cc1oc2ccccc2c1C(=O)c1ccc(O)c(I)c1
Show InChI InChI=1S/C16H11IO3/c1-9-15(11-4-2-3-5-14(11)20-9)16(19)10-6-7-13(18)12(17)8-10/h2-8,18H,1H3
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n/an/a 1.75E+4n/an/an/an/an/an/a



CHILDREN HOSPITAL MEDICAL CENTER

US Patent


Assay Description
An inhibitory assay was conducted using the previously described p-nitrophenylphosphate assay (Rayapureddi, J. P. et al. Nature 426, 295-298 (2003))....


US Patent US9725430 (2017)

More data for this
Ligand-Target Pair
Eyes absent homolog 3 (EYA3) (ED)


(Homo sapiens (Human))
BDBM50342278
PNG
((2-Ethylbenzofuran-3-yl)(4-hydroxyphenyl)methanone...)
Show SMILES CCc1oc2ccccc2c1C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C17H14O3/c1-2-14-16(13-5-3-4-6-15(13)20-14)17(19)11-7-9-12(18)10-8-11/h3-10,18H,2H2,1H3
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n/an/a 1.92E+4n/an/an/an/an/an/a



CHILDREN HOSPITAL MEDICAL CENTER

US Patent


Assay Description
An inhibitory assay was conducted using the previously described p-nitrophenylphosphate assay (Rayapureddi, J. P. et al. Nature 426, 295-298 (2003))....


US Patent US9725430 (2017)

More data for this
Ligand-Target Pair
Eyes absent homolog 3 (EYA3)


(Homo sapiens (Human))
BDBM50342279
PNG
((3,5-Dibromo-4-hydroxyphenyl)(2-ethyl-6-hydroxy-be...)
Show SMILES CCc1oc2cc(O)ccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C17H12Br2O4/c1-2-13-15(10-4-3-9(20)7-14(10)23-13)16(21)8-5-11(18)17(22)12(19)6-8/h3-7,20,22H,2H2,1H3
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n/an/a 2.72E+4n/an/an/an/an/an/a



CHILDREN HOSPITAL MEDICAL CENTER

US Patent


Assay Description
An inhibitory assay was conducted using the previously described p-nitrophenylphosphate assay (Rayapureddi, J. P. et al. Nature 426, 295-298 (2003))....


US Patent US9725430 (2017)

More data for this
Ligand-Target Pair
Eyes absent homolog 3 (EYA3)


(Homo sapiens (Human))
BDBM50342287
PNG
((3,5-Dibromo-4-hydroxyphenyl)(2-ethyl-5-hydroxyben...)
Show SMILES CCc1oc2ccc(O)cc2c1C(=O)c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C17H12Br2O4/c1-2-13-15(10-7-9(20)3-4-14(10)23-13)16(21)8-5-11(18)17(22)12(19)6-8/h3-7,20,22H,2H2,1H3
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n/an/a 4.08E+4n/an/an/an/an/an/a



CHILDREN HOSPITAL MEDICAL CENTER

US Patent


Assay Description
An inhibitory assay was conducted using the previously described p-nitrophenylphosphate assay (Rayapureddi, J. P. et al. Nature 426, 295-298 (2003))....


US Patent US9725430 (2017)

More data for this
Ligand-Target Pair
Eyes absent homolog 3 (EYA3)


(Homo sapiens (Human))
BDBM330353
PNG
(US9725430, Compound 1i)
Show SMILES CC(O)c1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C17H12Br2O4/c1-8(20)17-14(10-4-2-3-5-13(10)23-17)15(21)9-6-11(18)16(22)12(19)7-9/h2-8,20,22H,1H3
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n/an/a 4.19E+4n/an/an/an/an/an/a



CHILDREN HOSPITAL MEDICAL CENTER

US Patent


Assay Description
An inhibitory assay was conducted using the previously described p-nitrophenylphosphate assay (Rayapureddi, J. P. et al. Nature 426, 295-298 (2003))....


US Patent US9725430 (2017)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B (PTP1B)


(Homo sapiens (Human))
BDBM50158460
PNG
((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)
Show SMILES CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
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n/an/a 5.38E+4n/an/an/an/an/an/a



CHILDREN HOSPITAL MEDICAL CENTER

US Patent


Assay Description
An inhibitory assay was conducted using the previously described p-nitrophenylphosphate assay (Rayapureddi, J. P. et al. Nature 426, 295-298 (2003))....


US Patent US9725430 (2017)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B (PTP1B)


(Homo sapiens (Human))
BDBM18964
PNG
(4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenol | L ...)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C19H18O3/c1-2-3-7-17-18(15-6-4-5-8-16(15)22-17)19(21)13-9-11-14(20)12-10-13/h4-6,8-12,20H,2-3,7H2,1H3
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n/an/a 7.14E+4n/an/an/an/an/an/a



CHILDREN HOSPITAL MEDICAL CENTER

US Patent


Assay Description
An inhibitory assay was conducted using the previously described p-nitrophenylphosphate assay (Rayapureddi, J. P. et al. Nature 426, 295-298 (2003))....


US Patent US9725430 (2017)

More data for this
Ligand-Target Pair
Eyes absent homolog 3 (EYA3)


(Homo sapiens (Human))
BDBM50342276
PNG
((2-Ethyl-5-hydroxybenzofuran-3-yl)(4-hydroxyphenyl...)
Show SMILES CCc1oc2ccc(O)cc2c1C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C17H14O4/c1-2-14-16(13-9-12(19)7-8-15(13)21-14)17(20)10-3-5-11(18)6-4-10/h3-9,18-19H,2H2,1H3
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n/an/a 7.31E+4n/an/an/an/an/an/a



CHILDREN HOSPITAL MEDICAL CENTER

US Patent


Assay Description
An inhibitory assay was conducted using the previously described p-nitrophenylphosphate assay (Rayapureddi, J. P. et al. Nature 426, 295-298 (2003))....


US Patent US9725430 (2017)

More data for this
Ligand-Target Pair
Eyes absent homolog 3 (EYA3)


(Homo sapiens (Human))
BDBM50158457
PNG
((4-hydroxyphenyl)(2-methylbenzofuran-3-yl)methanon...)
Show SMILES Cc1oc2ccccc2c1C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C16H12O3/c1-10-15(13-4-2-3-5-14(13)19-10)16(18)11-6-8-12(17)9-7-11/h2-9,17H,1H3
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n/an/a 8.11E+4n/an/an/an/an/an/a



CHILDREN HOSPITAL MEDICAL CENTER

US Patent


Assay Description
An inhibitory assay was conducted using the previously described p-nitrophenylphosphate assay (Rayapureddi, J. P. et al. Nature 426, 295-298 (2003))....


US Patent US9725430 (2017)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B (PTP1B)


(Homo sapiens (Human))
BDBM50342278
PNG
((2-Ethylbenzofuran-3-yl)(4-hydroxyphenyl)methanone...)
Show SMILES CCc1oc2ccccc2c1C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C17H14O3/c1-2-14-16(13-5-3-4-6-15(13)20-14)17(19)11-7-9-12(18)10-8-11/h3-10,18H,2H2,1H3
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n/an/a>1.50E+5n/an/an/an/an/an/a



CHILDREN HOSPITAL MEDICAL CENTER

US Patent


Assay Description
An inhibitory assay was conducted using the previously described p-nitrophenylphosphate assay (Rayapureddi, J. P. et al. Nature 426, 295-298 (2003))....


US Patent US9725430 (2017)

More data for this
Ligand-Target Pair