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Compile Data Set for Download or QSAR

Found 113 hits with Last Name = 'kuret' and Initial = 'j'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Insulin receptor


(Homo sapiens (Human))
BDBM50363711
PNG
(CHEMBL370967)
Show SMILES CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2C)cc1
Show InChI InChI=1S/C18H19N2S/c1-19(2)15-11-8-14(9-12-15)10-13-18-20(3)16-6-4-5-7-17(16)21-18/h4-13H,1-3H3/q+1
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n/an/a 3n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363712
PNG
(CHEMBL1945931)
Show SMILES CN(C)c1ccc(\C=C\c2sc3ccc(Cl)cc3[n+]2C)cc1
Show InChI InChI=1S/C18H18ClN2S/c1-20(2)15-8-4-13(5-9-15)6-11-18-21(3)16-12-14(19)7-10-17(16)22-18/h4-12H,1-3H3/q+1
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n/an/a 5.20n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363715
PNG
(CHEMBL1944955)
Show SMILES CN(C)c1ccc(\C=C\c2sc3cc(C)ccc3[n+]2C)cc1
Show InChI InChI=1S/C19H21N2S/c1-14-5-11-17-18(13-14)22-19(21(17)4)12-8-15-6-9-16(10-7-15)20(2)3/h5-13H,1-4H3/q+1
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n/an/a 6n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363710
PNG
(CHEMBL370968)
Show SMILES CC[n+]1c(\C=C\c2ccc(cc2)N(C)C)sc2ccccc12
Show InChI InChI=1S/C19H21N2S/c1-4-21-17-7-5-6-8-18(17)22-19(21)14-11-15-9-12-16(13-10-15)20(2)3/h5-14H,4H2,1-3H3/q+1
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n/an/a 6n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363714
PNG
(CHEMBL1944954)
Show SMILES CN(C)c1ccc(\C=C\c2sc3ccc(C)cc3[n+]2C)cc1
Show InChI InChI=1S/C19H21N2S/c1-14-5-11-18-17(13-14)21(4)19(22-18)12-8-15-6-9-16(10-7-15)20(2)3/h5-13H,1-4H3/q+1
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n/an/a 7.5n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363716
PNG
(CHEMBL1944956)
Show SMILES COc1ccc2[n+](C)c(\C=C\c3ccc(cc3)N(C)C)sc2c1
Show InChI InChI=1S/C19H21N2OS/c1-20(2)15-8-5-14(6-9-15)7-12-19-21(3)17-11-10-16(22-4)13-18(17)23-19/h5-13H,1-4H3/q+1
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n/an/a 8n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363721
PNG
(CHEMBL1944960)
Show SMILES COc1ccc2[n+](C)c(\N=N\c3ccc(cc3)N(C)C)sc2c1
Show InChI InChI=1S/C17H19N4OS/c1-20(2)13-7-5-12(6-8-13)18-19-17-21(3)15-10-9-14(22-4)11-16(15)23-17/h5-11H,1-4H3/q+1
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n/an/a 10n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363713
PNG
(CHEMBL1944953)
Show SMILES CN(C)c1ccc(\C=C\c2sc3ccc(F)cc3[n+]2C)cc1
Show InChI InChI=1S/C18H18FN2S/c1-20(2)15-8-4-13(5-9-15)6-11-18-21(3)16-12-14(19)7-10-17(16)22-18/h4-12H,1-3H3/q+1
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n/an/a 10n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363724
PNG
(CHEMBL1944962)
Show SMILES CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2C2CC2)cc1
Show InChI InChI=1S/C20H21N2S/c1-21(2)16-10-7-15(8-11-16)9-14-20-22(17-12-13-17)18-5-3-4-6-19(18)23-20/h3-11,14,17H,12-13H2,1-2H3/q+1
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n/an/a 12n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363723
PNG
(CHEMBL1906225)
Show SMILES CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2Cc2ccccc2)cc1
Show InChI InChI=1S/C24H23N2S/c1-25(2)21-15-12-19(13-16-21)14-17-24-26(18-20-8-4-3-5-9-20)22-10-6-7-11-23(22)27-24/h3-17H,18H2,1-2H3/q+1
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n/an/a 12n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363717
PNG
(CHEMBL1944957)
Show SMILES CN(C)c1ccc(\C=C\c2sc3cc(ccc3[n+]2C)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H18N3O2S/c1-19(2)14-7-4-13(5-8-14)6-11-18-20(3)16-10-9-15(21(22)23)12-17(16)24-18/h4-12H,1-3H3/q+1
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n/an/a 12n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363742
PNG
(CHEMBL1946209)
Show SMILES CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2Cc2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C28H25N2S/c1-29(2)25-16-12-21(13-17-25)14-18-28-30(26-9-5-6-10-27(26)31-28)20-22-11-15-23-7-3-4-8-24(23)19-22/h3-19H,20H2,1-2H3/q+1
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n/an/a 13n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363744
PNG
(CHEMBL1946211)
Show SMILES COc1ccc2[n+](C)c(\C=C\c3ccc(N(C)C)c4ccccc34)sc2c1
Show InChI InChI=1S/C23H23N2OS/c1-24(2)20-12-9-16(18-7-5-6-8-19(18)20)10-14-23-25(3)21-13-11-17(26-4)15-22(21)27-23/h5-15H,1-4H3/q+1
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n/an/a 26n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363725
PNG
(CHEMBL1870314)
Show SMILES CCCC[n+]1c(\C=C\c2ccc(cc2)N(C)C)sc2ccccc12
Show InChI InChI=1S/C21H25N2S/c1-4-5-16-23-19-8-6-7-9-20(19)24-21(23)15-12-17-10-13-18(14-11-17)22(2)3/h6-15H,4-5,16H2,1-3H3/q+1
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n/an/a 27n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363727
PNG
(CHEMBL1944963)
Show SMILES CN(C)c1ccc(\C=C\c2sc3ccc(F)cc3[n+]2Cc2ccccc2)cc1
Show InChI InChI=1S/C24H22FN2S/c1-26(2)21-12-8-18(9-13-21)10-15-24-27(17-19-6-4-3-5-7-19)22-16-20(25)11-14-23(22)28-24/h3-16H,17H2,1-2H3/q+1
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n/an/a 32n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363731
PNG
(CHEMBL1944967)
Show SMILES CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2Cc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C30H27N2S/c1-31(2)27-19-14-23(15-20-27)16-21-30-32(28-10-6-7-11-29(28)33-30)22-24-12-17-26(18-13-24)25-8-4-3-5-9-25/h3-21H,22H2,1-2H3/q+1
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n/an/a 34n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363743
PNG
(CHEMBL1946210)
Show SMILES CCCCCCC[n+]1c(\C=C\c2ccc(N(C)C)c3ccccc23)sc2ccccc12
Show InChI InChI=1S/C28H33N2S/c1-4-5-6-7-12-21-30-26-15-10-11-16-27(26)31-28(30)20-18-22-17-19-25(29(2)3)24-14-9-8-13-23(22)24/h8-11,13-20H,4-7,12,21H2,1-3H3/q+1
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n/an/a 40n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363729
PNG
(CHEMBL1944965)
Show SMILES CCCCCCC[n+]1c(\C=C\c2ccc(cc2)N(C)C)sc2cc(OC)ccc12
Show InChI InChI=1S/C25H33N2OS/c1-5-6-7-8-9-18-27-23-16-15-22(28-4)19-24(23)29-25(27)17-12-20-10-13-21(14-11-20)26(2)3/h10-17,19H,5-9,18H2,1-4H3/q+1
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n/an/a 40n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363741
PNG
(CHEMBL1946104)
Show SMILES CN(C)c1ccc(\C=C\c2sc3c(Cc4ccccc4)c(Cc4ccccc4)ccc3[n+]2C)cc1
Show InChI InChI=1S/C32H31N2S/c1-33(2)28-18-14-24(15-19-28)16-21-31-34(3)30-20-17-27(22-25-10-6-4-7-11-25)29(32(30)35-31)23-26-12-8-5-9-13-26/h4-21H,22-23H2,1-3H3/q+1
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n/an/a 41n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363749
PNG
(CHEMBL1945467)
Show SMILES CN(C)c1ccc(\C=C\c2sc3ccc(Cc4ccccc4)c(Cc4ccccc4)c3[n+]2C)cc1
Show InChI InChI=1S/C32H31N2S/c1-33(2)28-18-14-24(15-19-28)16-21-31-34(3)32-29(23-26-12-8-5-9-13-26)27(17-20-30(32)35-31)22-25-10-6-4-7-11-25/h4-21H,22-23H2,1-3H3/q+1
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n/an/a 41n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363739
PNG
(CHEMBL1945466)
Show SMILES CCCCCCC[n+]1c(\C=C\c2ccc(cc2)-n2cccc2)sc2ccccc12
Show InChI InChI=1S/C26H29N2S/c1-2-3-4-5-8-21-28-24-11-6-7-12-25(24)29-26(28)18-15-22-13-16-23(17-14-22)27-19-9-10-20-27/h6-7,9-20H,2-5,8,21H2,1H3/q+1
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n/an/a 42n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363745
PNG
(CHEMBL1946212)
Show SMILES CN(C)c1ccc(\C=C\C2=Nc3c(ccc(Cc4ccccc4)c3Cc3ccccc3)[S+]2C)c2ccccc12 |t:9|
Show InChI InChI=1S/C36H33N2S/c1-38(2)33-21-18-28(30-16-10-11-17-31(30)33)20-23-35-37-36-32(25-27-14-8-5-9-15-27)29(19-22-34(36)39(35)3)24-26-12-6-4-7-13-26/h4-23H,24-25H2,1-3H3/q+1/b23-20+
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n/an/a 42n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363730
PNG
(CHEMBL1944966)
Show SMILES CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2Cc2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H22FN2S/c1-26(2)21-14-9-18(10-15-21)11-16-24-27(17-19-7-12-20(25)13-8-19)22-5-3-4-6-23(22)28-24/h3-16H,17H2,1-2H3/q+1
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n/an/a 42n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363728
PNG
(CHEMBL1944964)
Show SMILES CN(C)c1ccc(\C=C\c2sc3cc(C)ccc3[n+]2Cc2ccccc2)cc1
Show InChI InChI=1S/C25H25N2S/c1-19-9-15-23-24(17-19)28-25(27(23)18-21-7-5-4-6-8-21)16-12-20-10-13-22(14-11-20)26(2)3/h4-17H,18H2,1-3H3/q+1
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n/an/a 50n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363706
PNG
(CHEMBL1945463)
Show SMILES CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2CCCC2CCCCC2)cc1
Show InChI InChI=1S/C26H33N2S/c1-27(2)23-17-14-22(15-18-23)16-19-26-28(24-12-6-7-13-25(24)29-26)20-8-11-21-9-4-3-5-10-21/h6-7,12-19,21H,3-5,8-11,20H2,1-2H3/q+1
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n/an/a 52n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363738
PNG
(CHEMBL1945459)
Show SMILES CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2CCCOCc2ccccc2)cc1
Show InChI InChI=1S/C27H29N2OS/c1-28(2)24-16-13-22(14-17-24)15-18-27-29(25-11-6-7-12-26(25)31-27)19-8-20-30-21-23-9-4-3-5-10-23/h3-7,9-18H,8,19-21H2,1-2H3/q+1
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n/an/a 52n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363722
PNG
(CHEMBL1944961)
Show SMILES CN(C)c1ccc(cc1)\N=N\c1sc2ccccc2[n+]1C
Show InChI InChI=1S/C16H17N4S/c1-19(2)13-10-8-12(9-11-13)17-18-16-20(3)14-6-4-5-7-15(14)21-16/h4-11H,1-3H3/q+1
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n/an/a 60n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363732
PNG
(CHEMBL1944968)
Show SMILES CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2Cc2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C30H27N2S/c1-31(2)26-19-16-23(17-20-26)18-21-30-32(28-14-8-9-15-29(28)33-30)22-25-12-6-7-13-27(25)24-10-4-3-5-11-24/h3-21H,22H2,1-2H3/q+1
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n/an/a 80n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363736
PNG
(CHEMBL1945457)
Show SMILES CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2C\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C26H25N2S/c1-27(2)23-17-14-22(15-18-23)16-19-26-28(24-12-6-7-13-25(24)29-26)20-8-11-21-9-4-3-5-10-21/h3-19H,20H2,1-2H3/q+1/b11-8+
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n/an/a 80n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363704
PNG
(CHEMBL1945461)
Show SMILES CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2CCCCCc2ccccc2)cc1
Show InChI InChI=1S/C28H31N2S/c1-29(2)25-19-16-24(17-20-25)18-21-28-30(26-14-8-9-15-27(26)31-28)22-10-4-7-13-23-11-5-3-6-12-23/h3,5-6,8-9,11-12,14-21H,4,7,10,13,22H2,1-2H3/q+1
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n/an/a 80n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363705
PNG
(CHEMBL1945462)
Show SMILES CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2CCCCCOc2ccccc2)cc1
Show InChI InChI=1S/C28H31N2OS/c1-29(2)24-18-15-23(16-19-24)17-20-28-30(26-13-7-8-14-27(26)32-28)21-9-4-10-22-31-25-11-5-3-6-12-25/h3,5-8,11-20H,4,9-10,21-22H2,1-2H3/q+1
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n/an/a 80n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363726
PNG
(CHEMBL1891772)
Show SMILES CCCCCCC[n+]1c(\C=C\c2ccc(cc2)N(C)C)sc2ccccc12
Show InChI InChI=1S/C24H31N2S/c1-4-5-6-7-10-19-26-22-11-8-9-12-23(22)27-24(26)18-15-20-13-16-21(17-14-20)25(2)3/h8-9,11-18H,4-7,10,19H2,1-3H3/q+1
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n/an/a 83n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363708
PNG
(CHEMBL1945465)
Show SMILES CCCCCCC[n+]1c(\C=C\c2ccc(cc2)N(CCCC)CCCC)sc2ccccc12
Show InChI InChI=1S/C30H43N2S/c1-4-7-10-11-14-25-32-28-15-12-13-16-29(28)33-30(32)22-19-26-17-20-27(21-18-26)31(23-8-5-2)24-9-6-3/h12-13,15-22H,4-11,14,23-25H2,1-3H3/q+1
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n/an/a 90n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363703
PNG
(CHEMBL1945460)
Show SMILES CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2CCCCOc2ccccc2)cc1
Show InChI InChI=1S/C27H29N2OS/c1-28(2)23-17-14-22(15-18-23)16-19-27-29(25-12-6-7-13-26(25)31-27)20-8-9-21-30-24-10-4-3-5-11-24/h3-7,10-19H,8-9,20-21H2,1-2H3/q+1
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n/an/a 93n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363707
PNG
(CHEMBL1945464)
Show SMILES CCCCCCC[n+]1c(\C=C\c2ccc(cc2)N(CC)CC)sc2ccccc12
Show InChI InChI=1S/C26H35N2S/c1-4-7-8-9-12-21-28-24-13-10-11-14-25(24)29-26(28)20-17-22-15-18-23(19-16-22)27(5-2)6-3/h10-11,13-20H,4-9,12,21H2,1-3H3/q+1
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n/an/a 120n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363740
PNG
(CHEMBL1946103)
Show SMILES CN(C)c1ccc(\C=C\c2sc3cc(Cc4ccccc4)c(Cc4ccccc4)cc3[n+]2C)cc1
Show InChI InChI=1S/C32H31N2S/c1-33(2)29-17-14-24(15-18-29)16-19-32-34(3)30-22-27(20-25-10-6-4-7-11-25)28(23-31(30)35-32)21-26-12-8-5-9-13-26/h4-19,22-23H,20-21H2,1-3H3/q+1
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n/an/a 120n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM214726
PNG
(Cyanines, 9)
Show SMILES C1CC[n+]2c(\C=C\C=C3/Sc4ccccc4N3CCCC[n+]3c(\C=C\C=C4/Sc5ccccc5N4C1)sc1ccccc31)sc1ccccc21 |c:7,27,t:5,25|
Show InChI InChI=1S/C42H38N4S4/c1-5-19-35-31(15-1)43-27-9-10-28-44-32-16-2-6-20-36(32)49-41(44)25-14-26-42-46(34-18-4-8-22-38(34)50-42)30-12-11-29-45-33-17-3-7-21-37(33)48-40(45)24-13-23-39(43)47-35/h1-8,13-26H,9-12,27-30H2/q+2
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n/an/a 120n/an/an/an/a7.4n/a



The Ohio State University



Assay Description
The Tau content of fractions was determined by dot blot analysis using nitrocellulose membranes (0.2 μm porosity) as described previously [Cisek...


J Biol Chem 288: 32599-611 (2013)


Article DOI: 10.1074/jbc.M113.503474
BindingDB Entry DOI: 10.7270/Q2R49PMK
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363746
PNG
(CHEMBL1946213)
Show SMILES Nc1ccc(\N=N\c2nc3ccccc3s2)c2ccccc12
Show InChI InChI=1S/C17H12N4S/c18-13-9-10-14(12-6-2-1-5-11(12)13)20-21-17-19-15-7-3-4-8-16(15)22-17/h1-10H,18H2/b21-20+
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n/an/a 130n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363733
PNG
(CHEMBL1944969)
Show SMILES CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2Cc2cccc(OC(=O)c3ccccc3)c2)cc1
Show InChI InChI=1S/C31H27N2O2S/c1-32(2)26-18-15-23(16-19-26)17-20-30-33(28-13-6-7-14-29(28)36-30)22-24-9-8-12-27(21-24)35-31(34)25-10-4-3-5-11-25/h3-21H,22H2,1-2H3/q+1
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n/an/a 130n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM214733
PNG
(Rhodanines, 21A)
Show SMILES [O-]C(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)-c2ccc(o2)C([O-])=O)C1=O
Show InChI InChI=1S/C22H15NO7S2/c24-19(25)9-10-23-20(26)18(32-22(23)31)11-14-5-6-15(29-14)12-1-3-13(4-2-12)16-7-8-17(30-16)21(27)28/h1-8,11H,9-10H2,(H,24,25)(H,27,28)/p-2/b18-11-
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n/an/a 170n/an/an/an/a7.4n/a



The Ohio State University



Assay Description
The Tau content of fractions was determined by dot blot analysis using nitrocellulose membranes (0.2 μm porosity) as described previously [Cisek...


J Biol Chem 288: 32599-611 (2013)


Article DOI: 10.1074/jbc.M113.503474
BindingDB Entry DOI: 10.7270/Q2R49PMK
More data for this
Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM214732
PNG
(Rhodanines, 20A)
Show SMILES [O-]C(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C23H17NO4S2/c25-21(26)12-13-24-22(27)20(30-23(24)29)14-18-10-11-19(28-18)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,25,26)/p-1/b20-14-
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n/an/a 170n/an/an/an/a7.4n/a



The Ohio State University



Assay Description
The Tau content of fractions was determined by dot blot analysis using nitrocellulose membranes (0.2 μm porosity) as described previously [Cisek...


J Biol Chem 288: 32599-611 (2013)


Article DOI: 10.1074/jbc.M113.503474
BindingDB Entry DOI: 10.7270/Q2R49PMK
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363734
PNG
(CHEMBL1945455)
Show SMILES CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2Cc2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C30H27N2OS/c1-31(2)25-18-15-23(16-19-25)17-20-30-32(28-13-6-7-14-29(28)34-30)22-24-9-8-12-27(21-24)33-26-10-4-3-5-11-26/h3-21H,22H2,1-2H3/q+1
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n/an/a 180n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363735
PNG
(CHEMBL1945456)
Show SMILES CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2CCCc2ccccc2)cc1
Show InChI InChI=1S/C26H27N2S/c1-27(2)23-17-14-22(15-18-23)16-19-26-28(24-12-6-7-13-25(24)29-26)20-8-11-21-9-4-3-5-10-21/h3-7,9-10,12-19H,8,11,20H2,1-2H3/q+1
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n/an/a 210n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50363737
PNG
(CHEMBL1945458)
Show SMILES CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2CCCC(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C33H33N2S/c1-34(2)29-22-19-26(20-23-29)21-24-33-35(31-17-9-10-18-32(31)36-33)25-11-16-30(27-12-5-3-6-13-27)28-14-7-4-8-15-28/h3-10,12-15,17-24,30H,11,16,25H2,1-2H3/q+1
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n/an/a 210n/an/an/an/an/an/a



The Ohio State University College of Medicine

Curated by ChEMBL


Assay Description
Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay


Bioorg Med Chem 20: 1434-41 (2012)


Article DOI: 10.1016/j.bmc.2011.12.062
BindingDB Entry DOI: 10.7270/Q2M32W7W
More data for this
Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM214734
PNG
(Rhodanines, 22A)
Show SMILES [O-]C(=O)CCCCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)-n2cccc2)C1=O
Show InChI InChI=1S/C23H20N2O4S2/c26-21(27)5-1-2-14-25-22(28)20(31-23(25)30)15-18-10-11-19(29-18)16-6-8-17(9-7-16)24-12-3-4-13-24/h3-4,6-13,15H,1-2,5,14H2,(H,26,27)/p-1/b20-15-
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n/an/a 210n/an/an/an/a7.4n/a



The Ohio State University



Assay Description
The Tau content of fractions was determined by dot blot analysis using nitrocellulose membranes (0.2 μm porosity) as described previously [Cisek...


J Biol Chem 288: 32599-611 (2013)


Article DOI: 10.1074/jbc.M113.503474
BindingDB Entry DOI: 10.7270/Q2R49PMK
More data for this
Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM214735
PNG
(Rhodanines, 23A)
Show SMILES [O-]C(=O)CCCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)-n2cccc2)C1=O
Show InChI InChI=1S/C22H18N2O4S2/c25-20(26)4-3-13-24-21(27)19(30-22(24)29)14-17-9-10-18(28-17)15-5-7-16(8-6-15)23-11-1-2-12-23/h1-2,5-12,14H,3-4,13H2,(H,25,26)/p-1/b19-14-
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n/an/a 230n/an/an/an/a7.4n/a



The Ohio State University



Assay Description
The Tau content of fractions was determined by dot blot analysis using nitrocellulose membranes (0.2 μm porosity) as described previously [Cisek...


J Biol Chem 288: 32599-611 (2013)


Article DOI: 10.1074/jbc.M113.503474
BindingDB Entry DOI: 10.7270/Q2R49PMK
More data for this
Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM214737
PNG
(Rhodanines, 25A)
Show SMILES [O-]C(=O)CCCCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C25H21NO4S2/c27-23(28)8-4-5-15-26-24(29)22(32-25(26)31)16-20-13-14-21(30-20)19-11-9-18(10-12-19)17-6-2-1-3-7-17/h1-3,6-7,9-14,16H,4-5,8,15H2,(H,27,28)/p-1/b22-16-
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n/an/a 240n/an/an/an/a7.4n/a



The Ohio State University



Assay Description
The Tau content of fractions was determined by dot blot analysis using nitrocellulose membranes (0.2 μm porosity) as described previously [Cisek...


J Biol Chem 288: 32599-611 (2013)


Article DOI: 10.1074/jbc.M113.503474
BindingDB Entry DOI: 10.7270/Q2R49PMK
More data for this
Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM214736
PNG
(Rhodanines, 24A)
Show SMILES [O-]C(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)-n2cccc2)C1=O
Show InChI InChI=1S/C21H16N2O4S2/c24-19(25)9-12-23-20(26)18(29-21(23)28)13-16-7-8-17(27-16)14-3-5-15(6-4-14)22-10-1-2-11-22/h1-8,10-11,13H,9,12H2,(H,24,25)/p-1/b18-13-
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n/an/a 240n/an/an/an/a7.4n/a



The Ohio State University



Assay Description
The Tau content of fractions was determined by dot blot analysis using nitrocellulose membranes (0.2 μm porosity) as described previously [Cisek...


J Biol Chem 288: 32599-611 (2013)


Article DOI: 10.1074/jbc.M113.503474
BindingDB Entry DOI: 10.7270/Q2R49PMK
More data for this
Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM214738
PNG
(Rhodanines, 26A)
Show SMILES [O-]C(=O)CCCCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)-c2ccc(o2)C([O-])=O)C1=O
Show InChI InChI=1S/C24H19NO7S2/c26-21(27)3-1-2-12-25-22(28)20(34-24(25)33)13-16-8-9-17(31-16)14-4-6-15(7-5-14)18-10-11-19(32-18)23(29)30/h4-11,13H,1-3,12H2,(H,26,27)(H,29,30)/p-2/b20-13-
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n/an/a 260n/an/an/an/a7.4n/a



The Ohio State University



Assay Description
The Tau content of fractions was determined by dot blot analysis using nitrocellulose membranes (0.2 μm porosity) as described previously [Cisek...


J Biol Chem 288: 32599-611 (2013)


Article DOI: 10.1074/jbc.M113.503474
BindingDB Entry DOI: 10.7270/Q2R49PMK
More data for this
Ligand-Target Pair
Isoform Tau-F of Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM32329
PNG
((2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-...)
Show SMILES CCN1\C(Sc2ccccc12)=C\C(\C)=C\c1sc2ccccc2[n+]1CC
Show InChI InChI=1S/C22H23N2S2/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22/h6-15H,4-5H2,1-3H3/q+1
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n/an/a 280n/an/an/an/a7.4n/a



The Ohio State University



Assay Description
The Tau content of fractions was determined by dot blot analysis using nitrocellulose membranes (0.2 μm porosity) as described previously [Cisek...


J Biol Chem 288: 32599-611 (2013)


Article DOI: 10.1074/jbc.M113.503474
BindingDB Entry DOI: 10.7270/Q2R49PMK
More data for this
Ligand-Target Pair
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