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Compile Data Set for Download or QSAR

Found 41 hits of ic50 data for polymerid = 12   
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
Interleukin-6


(Homo sapiens (Human))
BDBM414420
PNG
((R)-7-[4-(2-ethoxycarbonyl-2-hydroxyethyl)oxy-2-me...)
Show SMILES CCOC(=O)[C@@H](O)COc1ccc(c(OC)c1)-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C |r|
Show InChI InChI=1S/C31H35FN2O7/c1-7-39-29(36)25(35)17-40-20-10-11-22(27(15-20)38-6)21-12-13-24-28(34(5)30(37)31(3,4)33-24)23(21)16-41-26-14-19(32)9-8-18(26)2/h8-15,25,33,35H,7,16-17H2,1-6H3/t25-/m0/s1
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n/an/a<1n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
1) The subcultured HCE-T was recovered and the cells were seeded at 2.0×104 cells/0.1 mL/well in a 96-well flat bottom culture plate.2) After culturi...


US Patent US10435379 (2019)


BindingDB Entry DOI: 10.7270/Q2X350TP
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM331838
PNG
((R)-7-[4-(2-ethoxycarbonyl-2-hydroxyethyl)oxy-2-me...)
Show SMILES CCOC(=O)[C@H](O)COc1ccc(c(OC)c1)-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C
Show InChI InChI=1S/C31H35FN2O7/c1-7-39-29(36)25(35)17-40-20-10-11-22(27(15-20)38-6)21-12-13-24-28(34(5)30(37)31(3,4)33-24)23(21)16-41-26-14-19(32)9-8-18(26)2/h8-15,25,33,35H,7,16-17H2,1-6H3/t25-/m1/s1
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n/an/a<1n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
o evaluate the action of the present compounds as a GR agonist, IL-6 production inhibitory action in human corneal epithelial cell line after LPS sti...


US Patent US10189796 (2019)


BindingDB Entry DOI: 10.7270/Q21G0PBH
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM140015
PNG
(US8901310, Comparator E)
Show SMILES Cc1ncccc1NC(=O)c1ccc2c(c1)C(=O)C[C@@H]1C[C@](O)(CC[C@@]21Cc1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C29H27F3N2O3/c1-18-24(8-5-13-33-18)34-26(36)20-9-10-23-22(14-20)25(35)15-21-17-28(37,29(30,31)32)12-11-27(21,23)16-19-6-3-2-4-7-19/h2-10,13-14,21,37H,11-12,15-17H2,1H3,(H,34,36)/t21-,27+,28-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...


US Patent US8901310 (2014)


BindingDB Entry DOI: 10.7270/Q2MC8XQM
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM140013
PNG
(US8901310, Comparator C)
Show SMILES Cc1ncccc1NC(=O)c1ccc2c(CC[C@@H]3C[C@@](O)(CCC(F)(F)F)CC[C@@]23Cc2ccccc2)c1 |r|
Show InChI InChI=1S/C31H33F3N2O2/c1-21-27(8-5-17-35-21)36-28(37)24-10-12-26-23(18-24)9-11-25-20-29(38,14-16-31(32,33)34)13-15-30(25,26)19-22-6-3-2-4-7-22/h2-8,10,12,17-18,25,38H,9,11,13-16,19-20H2,1H3,(H,36,37)/t25-,29+,30+/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...


US Patent US8901310 (2014)


BindingDB Entry DOI: 10.7270/Q2MC8XQM
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM140014
PNG
(US8901310, Comparator D)
Show SMILES Cc1ccncc1NC(=O)c1ccc2c(CC[C@@H]3C[C@](O)(CC[C@@]23Cc2ccccc2)C(F)(F)F)c1 |r|
Show InChI InChI=1S/C29H29F3N2O2/c1-19-11-14-33-18-25(19)34-26(35)22-8-10-24-21(15-22)7-9-23-17-28(36,29(30,31)32)13-12-27(23,24)16-20-5-3-2-4-6-20/h2-6,8,10-11,14-15,18,23,36H,7,9,12-13,16-17H2,1H3,(H,34,35)/t23-,27+,28-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...


US Patent US8901310 (2014)


BindingDB Entry DOI: 10.7270/Q2MC8XQM
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM140017
PNG
(US8901310, Comparator G)
Show SMILES Cc1c(NC(=O)c2ccc3c(CC[C@@H]4C[C@](O)(CC[C@@]34Cc3ccccc3)C(F)(F)F)c2)ccc[n+]1[O-] |r|
Show InChI InChI=1S/C29H29F3N2O3/c1-19-25(8-5-15-34(19)37)33-26(35)22-10-12-24-21(16-22)9-11-23-18-28(36,29(30,31)32)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23,36H,9,11,13-14,17-18H2,1H3,(H,33,35)/t23-,27+,28-/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...


US Patent US8901310 (2014)


BindingDB Entry DOI: 10.7270/Q2MC8XQM
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM140019
PNG
(US8901310, Comparator I)
Show SMILES Cc1ncccc1NC(=O)c1ccc2c(C=C[C@@H]3C[C@](O)(CC[C@@]23Cc2ccccc2)C(F)(F)F)c1 |r,c:16|
Show InChI InChI=1S/C29H27F3N2O2/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(36,29(30,31)32)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-12,15-16,23,36H,13-14,17-18H2,1H3,(H,34,35)/t23-,27+,28-/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...


US Patent US8901310 (2014)


BindingDB Entry DOI: 10.7270/Q2MC8XQM
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM65497
PNG
(CC-220 (Compound 6) | US9694015, 6.4S)
Show SMILES O=C1N(Cc2c1cccc2OCc1ccc(CN2CCOCC2)cc1)[C@H]1CCC(=O)NC1=O
Show InChI InChI=1S/C25H27N3O5/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27/h1-7,21H,8-16H2,(H,26,29,30)/t21-/m0/s1
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n/an/a 3.80n/an/an/an/an/a37



Celgene Corporation

US Patent


Assay Description
The Fix buffer I was warmed up to 37° C. in an incubator or water bath prior to use. The Perm Buffer III was chilled in a â¿¿20° C. freezer p...


US Patent US9694015 (2017)


BindingDB Entry DOI: 10.7270/Q2R49NZN
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM140012
PNG
(US8901310, Comparator B)
Show SMILES Cc1cnc(NC(=O)c2ccc3c(CC[C@@H]4C[C@](O)(CC[C@@]34Cc3ccccc3)C(F)(F)F)c2)c(C)n1 |r|
Show InChI InChI=1S/C29H30F3N3O2/c1-18-17-33-25(19(2)34-18)35-26(36)22-9-11-24-21(14-22)8-10-23-16-28(37,29(30,31)32)13-12-27(23,24)15-20-6-4-3-5-7-20/h3-7,9,11,14,17,23,37H,8,10,12-13,15-16H2,1-2H3,(H,33,35,36)/t23-,27+,28-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...


US Patent US8901310 (2014)


BindingDB Entry DOI: 10.7270/Q2MC8XQM
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM19190
PNG
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:27,t:23|
Show InChI InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
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US Patent
n/an/a 4.20n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...


US Patent US8901310 (2014)


BindingDB Entry DOI: 10.7270/Q2MC8XQM
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM140018
PNG
(US8901310, Comparator H)
Show SMILES Cc1ncccc1NC(=O)c1ccc2c(CC[C@@H]3C[C@](O)(CC[C@@]23Cc2ccccc2)C(F)F)c1 |r|
Show InChI InChI=1S/C29H30F2N2O2/c1-19-25(8-5-15-32-19)33-26(34)22-10-12-24-21(16-22)9-11-23-18-29(35,27(30)31)14-13-28(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23,27,35H,9,11,13-14,17-18H2,1H3,(H,33,34)/t23-,28+,29-/m1/s1
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n/an/a 4.30n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...


US Patent US8901310 (2014)


BindingDB Entry DOI: 10.7270/Q2MC8XQM
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM140016
PNG
(US8901310, Comparator F)
Show SMILES Cc1ncccc1NC(=O)c1ccc2c(c1)[C@H](O)C[C@@H]1C[C@](O)(CC[C@@]21Cc1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C29H29F3N2O3/c1-18-24(8-5-13-33-18)34-26(36)20-9-10-23-22(14-20)25(35)15-21-17-28(37,29(30,31)32)12-11-27(21,23)16-19-6-3-2-4-7-19/h2-10,13-14,21,25,35,37H,11-12,15-17H2,1H3,(H,34,36)/t21-,25-,27+,28-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...


US Patent US8901310 (2014)


BindingDB Entry DOI: 10.7270/Q2MC8XQM
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM77001
PNG
(3-(4-((4-(morpholinomethyl)benzyl)-oxy)-1-oxoisoin...)
Show SMILES O=C1N(Cc2c1cccc2OCc1ccc(CN2CCOCC2)cc1)C1CCC(=O)NC1=O
Show InChI InChI=1S/C25H27N3O5/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27/h1-7,21H,8-16H2,(H,26,29,30)
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n/an/a 10n/an/an/an/an/a37



Celgene Corporation

US Patent


Assay Description
The Fix buffer I was warmed up to 37° C. in an incubator or water bath prior to use. The Perm Buffer III was chilled in a â¿¿20° C. freezer p...


US Patent US9694015 (2017)


BindingDB Entry DOI: 10.7270/Q2R49NZN
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM331841
PNG
((S)-7-[4-(3-cyano-2-hydroxypropyl)oxy-2-methoxyphe...)
Show SMILES COc1cc(OC[C@@H](O)CC#N)ccc1-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C
Show InChI InChI=1S/C30H32FN3O5/c1-18-6-7-19(31)14-26(18)39-17-24-22(10-11-25-28(24)34(4)29(36)30(2,3)33-25)23-9-8-21(15-27(23)37-5)38-16-20(35)12-13-32/h6-11,14-15,20,33,35H,12,16-17H2,1-5H3/t20-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
1) The subcultured HCE-T was recovered and the cells were seeded at 2.0×104 cells/0.1 mL/well in a 96-well flat bottom culture plate.2) After culturi...


US Patent US10435379 (2019)


BindingDB Entry DOI: 10.7270/Q2X350TP
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM331841
PNG
((S)-7-[4-(3-cyano-2-hydroxypropyl)oxy-2-methoxyphe...)
Show SMILES COc1cc(OC[C@@H](O)CC#N)ccc1-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C
Show InChI InChI=1S/C30H32FN3O5/c1-18-6-7-19(31)14-26(18)39-17-24-22(10-11-25-28(24)34(4)29(36)30(2,3)33-25)23-9-8-21(15-27(23)37-5)38-16-20(35)12-13-32/h6-11,14-15,20,33,35H,12,16-17H2,1-5H3/t20-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
o evaluate the action of the present compounds as a GR agonist, IL-6 production inhibitory action in human corneal epithelial cell line after LPS sti...


US Patent US10189796 (2019)


BindingDB Entry DOI: 10.7270/Q21G0PBH
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM331840
PNG
((R)-7-[4-(3-cyano-2-hydroxypropyl)oxy-2-methoxyphe...)
Show SMILES COc1cc(OC[C@H](O)CC#N)ccc1-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C
Show InChI InChI=1S/C30H32FN3O5/c1-18-6-7-19(31)14-26(18)39-17-24-22(10-11-25-28(24)34(4)29(36)30(2,3)33-25)23-9-8-21(15-27(23)37-5)38-16-20(35)12-13-32/h6-11,14-15,20,33,35H,12,16-17H2,1-5H3/t20-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
1) The subcultured HCE-T was recovered and the cells were seeded at 2.0×104 cells/0.1 mL/well in a 96-well flat bottom culture plate.2) After culturi...


US Patent US10435379 (2019)


BindingDB Entry DOI: 10.7270/Q2X350TP
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM331840
PNG
((R)-7-[4-(3-cyano-2-hydroxypropyl)oxy-2-methoxyphe...)
Show SMILES COc1cc(OC[C@H](O)CC#N)ccc1-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C
Show InChI InChI=1S/C30H32FN3O5/c1-18-6-7-19(31)14-26(18)39-17-24-22(10-11-25-28(24)34(4)29(36)30(2,3)33-25)23-9-8-21(15-27(23)37-5)38-16-20(35)12-13-32/h6-11,14-15,20,33,35H,12,16-17H2,1-5H3/t20-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
o evaluate the action of the present compounds as a GR agonist, IL-6 production inhibitory action in human corneal epithelial cell line after LPS sti...


US Patent US10189796 (2019)


BindingDB Entry DOI: 10.7270/Q21G0PBH
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM331839
PNG
((S)-7-[4-(2,4-dihydroxybutyl)oxy-2-methoxyphenyl]-...)
Show SMILES COc1cc(OC[C@@H](O)CCO)ccc1-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C
Show InChI InChI=1S/C30H35FN2O6/c1-18-6-7-19(31)14-26(18)39-17-24-22(10-11-25-28(24)33(4)29(36)30(2,3)32-25)23-9-8-21(15-27(23)37-5)38-16-20(35)12-13-34/h6-11,14-15,20,32,34-35H,12-13,16-17H2,1-5H3/t20-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
o evaluate the action of the present compounds as a GR agonist, IL-6 production inhibitory action in human corneal epithelial cell line after LPS sti...


US Patent US10189796 (2019)


BindingDB Entry DOI: 10.7270/Q21G0PBH
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM331839
PNG
((S)-7-[4-(2,4-dihydroxybutyl)oxy-2-methoxyphenyl]-...)
Show SMILES COc1cc(OC[C@@H](O)CCO)ccc1-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C
Show InChI InChI=1S/C30H35FN2O6/c1-18-6-7-19(31)14-26(18)39-17-24-22(10-11-25-28(24)33(4)29(36)30(2,3)32-25)23-9-8-21(15-27(23)37-5)38-16-20(35)12-13-34/h6-11,14-15,20,32,34-35H,12-13,16-17H2,1-5H3/t20-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
1) The subcultured HCE-T was recovered and the cells were seeded at 2.0×104 cells/0.1 mL/well in a 96-well flat bottom culture plate.2) After culturi...


US Patent US10435379 (2019)


BindingDB Entry DOI: 10.7270/Q2X350TP
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM331836
PNG
((S)-8-(5-fluoro-2-methylphenoxymethyl)-7-[4-(2-hyd...)
Show SMILES COc1cc(OC[C@H](C)O)ccc1-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C
Show InChI InChI=1S/C29H33FN2O5/c1-17-7-8-19(30)13-25(17)37-16-23-21(11-12-24-27(23)32(5)28(34)29(3,4)31-24)22-10-9-20(14-26(22)35-6)36-15-18(2)33/h7-14,18,31,33H,15-16H2,1-6H3/t18-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
o evaluate the action of the present compounds as a GR agonist, IL-6 production inhibitory action in human corneal epithelial cell line after LPS sti...


US Patent US10189796 (2019)


BindingDB Entry DOI: 10.7270/Q21G0PBH
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM331836
PNG
((S)-8-(5-fluoro-2-methylphenoxymethyl)-7-[4-(2-hyd...)
Show SMILES COc1cc(OC[C@H](C)O)ccc1-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C
Show InChI InChI=1S/C29H33FN2O5/c1-17-7-8-19(30)13-25(17)37-16-23-21(11-12-24-27(23)32(5)28(34)29(3,4)31-24)22-10-9-20(14-26(22)35-6)36-15-18(2)33/h7-14,18,31,33H,15-16H2,1-6H3/t18-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
1) The subcultured HCE-T was recovered and the cells were seeded at 2.0×104 cells/0.1 mL/well in a 96-well flat bottom culture plate.2) After culturi...


US Patent US10435379 (2019)


BindingDB Entry DOI: 10.7270/Q2X350TP
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM331837
PNG
((R)-8-(5-fluoro-2-methylphenoxymethyl)-7-[4-(2-hyd...)
Show SMILES CC[C@@H](O)COc1ccc(c(OC)c1)-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C
Show InChI InChI=1S/C30H35FN2O5/c1-7-20(34)16-37-21-10-11-23(27(15-21)36-6)22-12-13-25-28(33(5)29(35)30(3,4)32-25)24(22)17-38-26-14-19(31)9-8-18(26)2/h8-15,20,32,34H,7,16-17H2,1-6H3/t20-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
o evaluate the action of the present compounds as a GR agonist, IL-6 production inhibitory action in human corneal epithelial cell line after LPS sti...


US Patent US10189796 (2019)


BindingDB Entry DOI: 10.7270/Q21G0PBH
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM331837
PNG
((R)-8-(5-fluoro-2-methylphenoxymethyl)-7-[4-(2-hyd...)
Show SMILES CC[C@@H](O)COc1ccc(c(OC)c1)-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C
Show InChI InChI=1S/C30H35FN2O5/c1-7-20(34)16-37-21-10-11-23(27(15-21)36-6)22-12-13-25-28(33(5)29(35)30(3,4)32-25)24(22)17-38-26-14-19(31)9-8-18(26)2/h8-15,20,32,34H,7,16-17H2,1-6H3/t20-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
1) The subcultured HCE-T was recovered and the cells were seeded at 2.0×104 cells/0.1 mL/well in a 96-well flat bottom culture plate.2) After culturi...


US Patent US10435379 (2019)


BindingDB Entry DOI: 10.7270/Q2X350TP
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM140011
PNG
(US8901310, Comparator A)
Show SMILES Cc1ncccc1CNC(=O)c1ccc2c(CC[C@@H]3C[C@@](O)(CCC(F)(F)F)CC[C@@]23Cc2ccccc2)c1 |r|
Show InChI InChI=1S/C32H35F3N2O2/c1-22-26(8-5-17-36-22)21-37-29(38)25-10-12-28-24(18-25)9-11-27-20-30(39,14-16-32(33,34)35)13-15-31(27,28)19-23-6-3-2-4-7-23/h2-8,10,12,17-18,27,39H,9,11,13-16,19-21H2,1H3,(H,37,38)/t27-,30+,31+/m1/s1
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n/an/a>36.4n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...


US Patent US8901310 (2014)


BindingDB Entry DOI: 10.7270/Q2MC8XQM
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM65456
PNG
(19171-19-8 | 4-amino-2-(2,6-dioxopiperidin-3-yl)is...)
Show SMILES Nc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
Show InChI InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)
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n/an/a 59n/an/an/an/an/a37



Celgene Corporation

US Patent


Assay Description
The Fix buffer I was warmed up to 37° C. in an incubator or water bath prior to use. The Perm Buffer III was chilled in a â¿¿20° C. freezer p...


US Patent US9694015 (2017)


BindingDB Entry DOI: 10.7270/Q2R49NZN
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM76986
PNG
(3-(5-amino-2-methyl-4-oxo-4H-quinazolin-3-yl)-pipe...)
Show SMILES Cc1nc2cccc(N)c2c(=O)n1C1CCC(=O)NC1=O
Show InChI InChI=1S/C14H14N4O3/c1-7-16-9-4-2-3-8(15)12(9)14(21)18(7)10-5-6-11(19)17-13(10)20/h2-4,10H,5-6,15H2,1H3,(H,17,19,20)
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n/an/a 60n/an/an/an/an/a37



Celgene Corporation

US Patent


Assay Description
The Fix buffer I was warmed up to 37° C. in an incubator or water bath prior to use. The Perm Buffer III was chilled in a â¿¿20° C. freezer p...


US Patent US9694015 (2017)


BindingDB Entry DOI: 10.7270/Q2R49NZN
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM140010
PNG
(US8901310, Example 2)
Show SMILES Cc1ncccc1NC(=O)c1ccc2c(CC[C@@H]3C[C@@](CC[C@@]23Cc2ccccc2)(OP(O)(O)=O)C(F)(F)F)c1 |r|
Show InChI InChI=1S/C29H30F3N2O5P/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(29(30,31)32,39-40(36,37)38)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23H,9,11,13-14,17-18H2,1H3,(H,34,35)(H2,36,37,38)/t23-,27+,28-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...


US Patent US8901310 (2014)


BindingDB Entry DOI: 10.7270/Q2MC8XQM
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM77015
PNG
((R)-3-(4-((4-(morpholinomethyl)benzyl)-oxy)-1-oxoi...)
Show SMILES O=C1N(Cc2c1cccc2OCc1ccc(CN2CCOCC2)cc1)[C@@H]1CCC(=O)NC1=O |r|
Show InChI InChI=1S/C25H27N3O5/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27/h1-7,21H,8-16H2,(H,26,29,30)/t21-/m1/s1
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n/an/a 83n/an/an/an/an/a37



Celgene Corporation

US Patent


Assay Description
The Fix buffer I was warmed up to 37° C. in an incubator or water bath prior to use. The Perm Buffer III was chilled in a â¿¿20° C. freezer p...


US Patent US9694015 (2017)


BindingDB Entry DOI: 10.7270/Q2R49NZN
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM331842
PNG
(7-[4-(3-t-butoxycarbonyl-2-hydroxypropyl)oxy-2-met...)
Show SMILES COc1cc(OCC(O)CC(=O)OC(C)(C)C)ccc1-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C
Show InChI InChI=1S/C34H41FN2O7/c1-20-9-10-21(35)15-28(20)43-19-26-24(13-14-27-31(26)37(7)32(40)34(5,6)36-27)25-12-11-23(17-29(25)41-8)42-18-22(38)16-30(39)44-33(2,3)4/h9-15,17,22,36,38H,16,18-19H2,1-8H3
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n/an/a 83n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
o evaluate the action of the present compounds as a GR agonist, IL-6 production inhibitory action in human corneal epithelial cell line after LPS sti...


US Patent US10189796 (2019)


BindingDB Entry DOI: 10.7270/Q21G0PBH
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM331842
PNG
(7-[4-(3-t-butoxycarbonyl-2-hydroxypropyl)oxy-2-met...)
Show SMILES COc1cc(OCC(O)CC(=O)OC(C)(C)C)ccc1-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C
Show InChI InChI=1S/C34H41FN2O7/c1-20-9-10-21(35)15-28(20)43-19-26-24(13-14-27-31(26)37(7)32(40)34(5,6)36-27)25-12-11-23(17-29(25)41-8)42-18-22(38)16-30(39)44-33(2,3)4/h9-15,17,22,36,38H,16,18-19H2,1-8H3
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n/an/a 83n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
1) The subcultured HCE-T was recovered and the cells were seeded at 2.0×104 cells/0.1 mL/well in a 96-well flat bottom culture plate.2) After culturi...


US Patent US10435379 (2019)


BindingDB Entry DOI: 10.7270/Q2X350TP
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM331844
PNG
(8-(5-fluoro-2-methylphenoxymethyl)-7-(5-hydroxy-2-...)
Show SMILES COc1ccc(O)cc1-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C
Show InChI InChI=1S/C26H27FN2O4/c1-15-6-7-16(27)12-23(15)33-14-20-18(19-13-17(30)8-11-22(19)32-5)9-10-21-24(20)29(4)25(31)26(2,3)28-21/h6-13,28,30H,14H2,1-5H3
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n/an/a 93n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
1) The subcultured HCE-T was recovered and the cells were seeded at 2.0×104 cells/0.1 mL/well in a 96-well flat bottom culture plate.2) After culturi...


US Patent US10435379 (2019)


BindingDB Entry DOI: 10.7270/Q2X350TP
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM331844
PNG
(8-(5-fluoro-2-methylphenoxymethyl)-7-(5-hydroxy-2-...)
Show SMILES COc1ccc(O)cc1-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C
Show InChI InChI=1S/C26H27FN2O4/c1-15-6-7-16(27)12-23(15)33-14-20-18(19-13-17(30)8-11-22(19)32-5)9-10-21-24(20)29(4)25(31)26(2,3)28-21/h6-13,28,30H,14H2,1-5H3
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n/an/a 93n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
o evaluate the action of the present compounds as a GR agonist, IL-6 production inhibitory action in human corneal epithelial cell line after LPS sti...


US Patent US10189796 (2019)


BindingDB Entry DOI: 10.7270/Q21G0PBH
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM331843
PNG
(8-(5-fluoro-2-methylphenoxymethyl)-7-(5-hydroxymet...)
Show SMILES COc1ccc(CO)cc1-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C
Show InChI InChI=1S/C27H29FN2O4/c1-16-6-8-18(28)13-24(16)34-15-21-19(20-12-17(14-31)7-11-23(20)33-5)9-10-22-25(21)30(4)26(32)27(2,3)29-22/h6-13,29,31H,14-15H2,1-5H3
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n/an/a 123n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
o evaluate the action of the present compounds as a GR agonist, IL-6 production inhibitory action in human corneal epithelial cell line after LPS sti...


US Patent US10189796 (2019)


BindingDB Entry DOI: 10.7270/Q21G0PBH
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM331843
PNG
(8-(5-fluoro-2-methylphenoxymethyl)-7-(5-hydroxymet...)
Show SMILES COc1ccc(CO)cc1-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C
Show InChI InChI=1S/C27H29FN2O4/c1-16-6-8-18(28)13-24(16)34-15-21-19(20-12-17(14-31)7-11-23(20)33-5)9-10-22-25(21)30(4)26(32)27(2,3)29-22/h6-13,29,31H,14-15H2,1-5H3
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n/an/a 123n/an/an/an/an/an/a



SANTEN PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
1) The subcultured HCE-T was recovered and the cells were seeded at 2.0×104 cells/0.1 mL/well in a 96-well flat bottom culture plate.2) After culturi...


US Patent US10435379 (2019)


BindingDB Entry DOI: 10.7270/Q2X350TP
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM50349518
PNG
(BERGENIN)
Show SMILES COc1c(O)cc2C(=O)O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3c2c1O |r|
Show InChI InChI=1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12+,13-/m1/s1
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n/an/a 208n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of IL6 (unknown origin)


Bioorg Med Chem 25: 5513-5521 (2017)


Article DOI: 10.1016/j.bmc.2017.08.011
BindingDB Entry DOI: 10.7270/Q20004JF
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM140020
PNG
(US8901310, Comparator J)
Show SMILES Cc1ncc(NC(=O)c2ccc3c(CC[C@@H]4C[C@@](O)(CCC(F)(F)F)CC[C@@]34Cc3ccccc3)c2)c(C)n1 |r|
Show InChI InChI=1S/C31H34F3N3O2/c1-20-27(19-35-21(2)36-20)37-28(38)24-9-11-26-23(16-24)8-10-25-18-29(39,13-15-31(32,33)34)12-14-30(25,26)17-22-6-4-3-5-7-22/h3-7,9,11,16,19,25,39H,8,10,12-15,17-18H2,1-2H3,(H,37,38)/t25-,29+,30+/m1/s1
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n/an/a 291n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...


US Patent US8901310 (2014)


BindingDB Entry DOI: 10.7270/Q2MC8XQM
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM65454
PNG
(191732-72-6 | CC-5013 | Lenalidomide | Revimid | R...)
Show SMILES Nc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O
Show InChI InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)
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n/an/a 1.20E+3n/an/an/an/an/a37



Celgene Corporation

US Patent


Assay Description
The Fix buffer I was warmed up to 37° C. in an incubator or water bath prior to use. The Perm Buffer III was chilled in a â¿¿20° C. freezer p...


US Patent US9694015 (2017)


BindingDB Entry DOI: 10.7270/Q2R49NZN
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM50252381
PNG
(CHEMBL4080826)
Show SMILES CCc1ccc(Nc2nc3cc(NC(=O)c4ccccc4)ccc3o2)cc1
Show InChI InChI=1S/C22H19N3O2/c1-2-15-8-10-17(11-9-15)24-22-25-19-14-18(12-13-20(19)27-22)23-21(26)16-6-4-3-5-7-16/h3-14H,2H2,1H3,(H,23,26)(H,24,25)
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Article
PubMed
n/an/a 5.80E+3n/an/an/an/an/an/a



College of Pharmacy and Graduate School of Pharmaceutical Sciences, Ewha Womans University, Seoul 03760, Republic of Korea.

Curated by ChEMBL


Assay Description
Inhibition of IL-6 signaling pathway in human HepG2 cells transfected with p-STAT3-Luc assessed as reduction in IL-6 induced STAT3 phosphorylation pr...


Bioorg Med Chem 25: 3127-3134 (2017)


Article DOI: 10.1016/j.bmc.2017.03.072
BindingDB Entry DOI: 10.7270/Q2KW5JF6
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM50070114
PNG
((+/-)-thalidomide | 2-(2,6-Dioxo-piperidin-3-yl)-i...)
Show SMILES O=C1N(C2CCC(=O)NC2=O)C(=O)c2ccccc12
Show InChI InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)
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n/an/a>1.00E+4n/an/an/an/an/a37



Celgene Corporation

US Patent


Assay Description
The Fix buffer I was warmed up to 37° C. in an incubator or water bath prior to use. The Perm Buffer III was chilled in a â¿¿20° C. freezer p...


US Patent US9694015 (2017)


BindingDB Entry DOI: 10.7270/Q2R49NZN
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM50252380
PNG
(CHEMBL4068283)
Show SMILES CCc1ccc(Nc2nc3cc(N)ccc3o2)cc1
Show InChI InChI=1S/C15H15N3O/c1-2-10-3-6-12(7-4-10)17-15-18-13-9-11(16)5-8-14(13)19-15/h3-9H,2,16H2,1H3,(H,17,18)
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n/an/a 1.89E+4n/an/an/an/an/an/a



College of Pharmacy and Graduate School of Pharmaceutical Sciences, Ewha Womans University, Seoul 03760, Republic of Korea.

Curated by ChEMBL


Assay Description
Inhibition of IL-6 signaling pathway in human HepG2 cells transfected with p-STAT3-Luc assessed as reduction in IL-6 induced STAT3 phosphorylation pr...


Bioorg Med Chem 25: 3127-3134 (2017)


Article DOI: 10.1016/j.bmc.2017.03.072
BindingDB Entry DOI: 10.7270/Q2KW5JF6
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))
BDBM50252382
PNG
(CHEMBL4103291)
Show SMILES [H][C@]12OCC[C@@]1(O)c1ccccc1N2C[C@]1(C)C(=C)C(C)=C(CCCC)C1=O |r,t:23|
Show InChI InChI=1S/C23H29NO3/c1-5-6-9-17-15(2)16(3)22(4,20(17)25)14-24-19-11-8-7-10-18(19)23(26)12-13-27-21(23)24/h7-8,10-11,21,26H,3,5-6,9,12-14H2,1-2,4H3/t21-,22+,23+/m0/s1
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n/an/a 2.05E+4n/an/an/an/an/an/a



College of Pharmacy and Graduate School of Pharmaceutical Sciences, Ewha Womans University, Seoul 03760, Republic of Korea.

Curated by ChEMBL


Assay Description
Inhibition of IL-6 signaling pathway in human HepG2 cells transfected with p-STAT3-Luc assessed as reduction in IL-6 induced STAT3 phosphorylation pr...


Bioorg Med Chem 25: 3127-3134 (2017)


Article DOI: 10.1016/j.bmc.2017.03.072
BindingDB Entry DOI: 10.7270/Q2KW5JF6
More data for this
Ligand-Target Pair