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Compile Data Set for Download or QSAR

Found 23 hits with Last Name = 'abcouwer' and Initial = 'sf'   
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
Transcription factor AP-1


(Homo sapiens (Human))
BDBM191748
PNG
(US9187397, 20m)
Show SMILES COc1ccc(OC)c(\C=C\C(=O)\C=C\c2cc(OC)ccc2OC)c1
Show InChI InChI=1S/C21H22O5/c1-23-18-9-11-20(25-3)15(13-18)5-7-17(22)8-6-16-14-19(24-2)10-12-21(16)26-4/h5-14H,1-4H3/b7-5+,8-6+
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n/an/a 1.40E+3n/an/an/an/an/an/a



STC.UNM

US Patent


Assay Description
The 293T/NF-κB-luc cells were re-plated 24 hr prior to treatment, into 24-well cell culture plates in media without hygromycin, to prevent it from...


US Patent US9187397 (2015)


BindingDB Entry DOI: 10.7270/Q2Q52NF9
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM191744
PNG
(US9187397, 3 | US9187397, 31)
Show SMILES O=C(\C=C\c1cccnc1)/C=C/c1cccnc1
Show InChI InChI=1S/C15H12N2O/c18-15(7-5-13-3-1-9-16-11-13)8-6-14-4-2-10-17-12-14/h1-12H/b7-5+,8-6+
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n/an/a 3.40E+3n/an/an/an/an/an/a



STC.UNM

US Patent


Assay Description
The 293T/NF-κB-luc cells were re-plated 24 hr prior to treatment, into 24-well cell culture plates in media without hygromycin, to prevent it from...


US Patent US9187397 (2015)


BindingDB Entry DOI: 10.7270/Q2Q52NF9
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM191744
PNG
(US9187397, 3 | US9187397, 31)
Show SMILES O=C(\C=C\c1cccnc1)/C=C/c1cccnc1
Show InChI InChI=1S/C15H12N2O/c18-15(7-5-13-3-1-9-16-11-13)8-6-14-4-2-10-17-12-14/h1-12H/b7-5+,8-6+
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n/an/a 3.40E+3n/an/an/an/an/an/a



STC.UNM

US Patent


Assay Description
The 293T/NF-κB-luc cells were re-plated 24 hr prior to treatment, into 24-well cell culture plates in media without hygromycin, to prevent it from...


US Patent US9187397 (2015)


BindingDB Entry DOI: 10.7270/Q2Q52NF9
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM191745
PNG
(US9187397, 29)
Show SMILES O=C(\C=C\c1ccncc1)/C=C/c1ccncc1
Show InChI InChI=1S/C15H12N2O/c18-15(3-1-13-5-9-16-10-6-13)4-2-14-7-11-17-12-8-14/h1-12H/b3-1+,4-2+
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n/an/a 3.50E+3n/an/an/an/an/an/a



STC.UNM

US Patent


Assay Description
The 293T/NF-κB-luc cells were re-plated 24 hr prior to treatment, into 24-well cell culture plates in media without hygromycin, to prevent it from...


US Patent US9187397 (2015)


BindingDB Entry DOI: 10.7270/Q2Q52NF9
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM191744
PNG
(US9187397, 3 | US9187397, 31)
Show SMILES O=C(\C=C\c1cccnc1)/C=C/c1cccnc1
Show InChI InChI=1S/C15H12N2O/c18-15(7-5-13-3-1-9-16-11-13)8-6-14-4-2-10-17-12-14/h1-12H/b7-5+,8-6+
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n/an/a 4.10E+3n/an/an/an/an/an/a



STC.UNM

US Patent


Assay Description
The 293T/NF-κB-luc cells were re-plated 24 hr prior to treatment, into 24-well cell culture plates in media without hygromycin, to prevent it from...


US Patent US9187397 (2015)


BindingDB Entry DOI: 10.7270/Q2Q52NF9
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50067033
PNG
((2E,6E)-2,6-bis(4-hydroxy-3-methoxybenzylidene)cyc...)
Show SMILES COc1cc(\C=C2/CCC\C(=C/c3ccc(O)c(OC)c3)C2=O)ccc1O
Show InChI InChI=1S/C22H22O5/c1-26-20-12-14(6-8-18(20)23)10-16-4-3-5-17(22(16)25)11-15-7-9-19(24)21(13-15)27-2/h6-13,23-24H,3-5H2,1-2H3/b16-10+,17-11+
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STC.UNM

US Patent


Assay Description
TRAP Assay: The first procedure called for antioxidant activity to be measured as the ability of the analogs to react with the pre-formed radical mon...


US Patent US9187397 (2015)


BindingDB Entry DOI: 10.7270/Q2Q52NF9
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM191746
PNG
(US9187397, 20q)
Show SMILES Oc1ccccc1\C=C\C(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C17H14O3/c18-15(11-9-13-5-1-3-7-16(13)19)12-10-14-6-2-4-8-17(14)20/h1-12,19-20H/b11-9+,12-10+
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STC.UNM

US Patent


Assay Description
The first procedure called for antioxidant activity to be measured as the ability of the analogs to react with the pre-formed radical monocation of 2...


US Patent US9187397 (2015)


BindingDB Entry DOI: 10.7270/Q2Q52NF9
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50067033
PNG
((2E,6E)-2,6-bis(4-hydroxy-3-methoxybenzylidene)cyc...)
Show SMILES COc1cc(\C=C2/CCC\C(=C/c3ccc(O)c(OC)c3)C2=O)ccc1O
Show InChI InChI=1S/C22H22O5/c1-26-20-12-14(6-8-18(20)23)10-16-4-3-5-17(22(16)25)11-15-7-9-19(24)21(13-15)27-2/h6-13,23-24H,3-5H2,1-2H3/b16-10+,17-11+
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STC.UNM

US Patent


Assay Description
The 293T/NF-κB-luc cells were re-plated 24 hr prior to treatment, into 24-well cell culture plates in media without hygromycin, to prevent it from...


US Patent US9187397 (2015)


BindingDB Entry DOI: 10.7270/Q2Q52NF9
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM191762
PNG
(US9187397, 5)
Show SMILES FC(F)(F)c1ccccc1\C=C\C(=O)\C=C\c1ccccc1C(F)(F)F
Show InChI InChI=1S/C19H12F6O/c20-18(21,22)16-7-3-1-5-13(16)9-11-15(26)12-10-14-6-2-4-8-17(14)19(23,24)25/h1-12H/b11-9+,12-10+
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n/an/a 5.00E+3n/an/an/an/an/an/a



STC.UNM

US Patent


Assay Description
The 293T/NF-κB-luc cells were re-plated 24 hr prior to treatment, into 24-well cell culture plates in media without hygromycin, to prevent it from...


US Patent US9187397 (2015)


BindingDB Entry DOI: 10.7270/Q2Q52NF9
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM191750
PNG
(US9187397, 9a)
Show SMILES COc1cc(\C=C\C(\O)=C(/Cc2ccccc2)C(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C28H26O6/c1-33-27-17-20(10-14-25(27)31)8-12-23(29)22(16-19-6-4-3-5-7-19)24(30)13-9-21-11-15-26(32)28(18-21)34-2/h3-15,17-18,29,31-32H,16H2,1-2H3/b12-8+,13-9+,23-22-
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n/an/a 5.30E+3n/an/an/an/an/an/a



STC.UNM

US Patent


Assay Description
TRAP Assay: The first procedure called for antioxidant activity to be measured as the ability of the analogs to react with the pre-formed radical mon...


US Patent US9187397 (2015)


BindingDB Entry DOI: 10.7270/Q2Q52NF9
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM191747
PNG
(US9187397, 20ag)
Show SMILES COc1cc(\C=C\C(=O)\C=C\c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O
Show InChI InChI=1S/C23H22O7/c1-15(24)29-20-11-7-17(13-22(20)27-3)5-9-19(26)10-6-18-8-12-21(30-16(2)25)23(14-18)28-4/h5-14H,1-4H3/b9-5+,10-6+
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n/an/a 5.40E+3n/an/an/an/an/an/a



STC.UNM

US Patent


Assay Description
Anti-oxidant activity was also measured in the Ferric reducing/anti-oxidant power assay (FRAP assay) in which the analogs are reacted with a ferric t...


US Patent US9187397 (2015)


BindingDB Entry DOI: 10.7270/Q2Q52NF9
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM191749
PNG
(US9187397, 2 | US9187397, 6a)
Show SMILES COc1cc(\C=C\C(\O)=C(/C)C(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C22H22O6/c1-14(17(23)8-4-15-6-10-19(25)21(12-15)27-2)18(24)9-5-16-7-11-20(26)22(13-16)28-3/h4-13,23,25-26H,1-3H3/b8-4+,9-5+,17-14-
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n/an/a 6.00E+3n/an/an/an/an/an/a



STC.UNM

US Patent


Assay Description
TRAP Assay: The first procedure called for antioxidant activity to be measured as the ability of the analogs to react with the pre-formed radical mon...


US Patent US9187397 (2015)


BindingDB Entry DOI: 10.7270/Q2Q52NF9
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM191748
PNG
(US9187397, 20m)
Show SMILES COc1ccc(OC)c(\C=C\C(=O)\C=C\c2cc(OC)ccc2OC)c1
Show InChI InChI=1S/C21H22O5/c1-23-18-9-11-20(25-3)15(13-18)5-7-17(22)8-6-16-14-19(24-2)10-12-21(16)26-4/h5-14H,1-4H3/b7-5+,8-6+
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n/an/a 6.40E+3n/an/an/an/an/an/a



STC.UNM

US Patent


Assay Description
The 293T/NF-κB-luc cells were re-plated 24 hr prior to treatment, into 24-well cell culture plates in media without hygromycin, to prevent it from...


US Patent US9187397 (2015)


BindingDB Entry DOI: 10.7270/Q2Q52NF9
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM191749
PNG
(US9187397, 2 | US9187397, 6a)
Show SMILES COc1cc(\C=C\C(\O)=C(/C)C(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C22H22O6/c1-14(17(23)8-4-15-6-10-19(25)21(12-15)27-2)18(24)9-5-16-7-11-20(26)22(13-16)28-3/h4-13,23,25-26H,1-3H3/b8-4+,9-5+,17-14-
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n/an/a 6.70E+3n/an/an/an/an/an/a



STC.UNM

US Patent


Assay Description
TRAP Assay: The first procedure called for antioxidant activity to be measured as the ability of the analogs to react with the pre-formed radical mon...


US Patent US9187397 (2015)


BindingDB Entry DOI: 10.7270/Q2Q52NF9
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM191749
PNG
(US9187397, 2 | US9187397, 6a)
Show SMILES COc1cc(\C=C\C(\O)=C(/C)C(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C22H22O6/c1-14(17(23)8-4-15-6-10-19(25)21(12-15)27-2)18(24)9-5-16-7-11-20(26)22(13-16)28-3/h4-13,23,25-26H,1-3H3/b8-4+,9-5+,17-14-
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n/an/a 6.70E+3n/an/an/an/an/an/a



STC.UNM

US Patent


Assay Description
The 293T/NF-κB-luc cells were re-plated 24 hr prior to treatment, into 24-well cell culture plates in media without hygromycin, to prevent it from...


US Patent US9187397 (2015)


BindingDB Entry DOI: 10.7270/Q2Q52NF9
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50067033
PNG
((2E,6E)-2,6-bis(4-hydroxy-3-methoxybenzylidene)cyc...)
Show SMILES COc1cc(\C=C2/CCC\C(=C/c3ccc(O)c(OC)c3)C2=O)ccc1O
Show InChI InChI=1S/C22H22O5/c1-26-20-12-14(6-8-18(20)23)10-16-4-3-5-17(22(16)25)11-15-7-9-19(24)21(13-15)27-2/h6-13,23-24H,3-5H2,1-2H3/b16-10+,17-11+
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n/an/a 7.30E+3n/an/an/an/an/an/a



STC.UNM

US Patent


Assay Description
TRAP Assay: The first procedure called for antioxidant activity to be measured as the ability of the analogs to react with the pre-formed radical mon...


US Patent US9187397 (2015)


BindingDB Entry DOI: 10.7270/Q2Q52NF9
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM191750
PNG
(US9187397, 9a)
Show SMILES COc1cc(\C=C\C(\O)=C(/Cc2ccccc2)C(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C28H26O6/c1-33-27-17-20(10-14-25(27)31)8-12-23(29)22(16-19-6-4-3-5-7-19)24(30)13-9-21-11-15-26(32)28(18-21)34-2/h3-15,17-18,29,31-32H,16H2,1-2H3/b12-8+,13-9+,23-22-
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n/an/a 7.60E+3n/an/an/an/an/an/a



STC.UNM

US Patent


Assay Description
TRAP Assay: The first procedure called for antioxidant activity to be measured as the ability of the analogs to react with the pre-formed radical mon...


US Patent US9187397 (2015)


BindingDB Entry DOI: 10.7270/Q2Q52NF9
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM191745
PNG
(US9187397, 29)
Show SMILES O=C(\C=C\c1ccncc1)/C=C/c1ccncc1
Show InChI InChI=1S/C15H12N2O/c18-15(3-1-13-5-9-16-10-6-13)4-2-14-7-11-17-12-8-14/h1-12H/b3-1+,4-2+
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n/an/a 8.20E+3n/an/an/an/an/an/a



STC.UNM

US Patent


Assay Description
The 293T/NF-κB-luc cells were re-plated 24 hr prior to treatment, into 24-well cell culture plates in media without hygromycin, to prevent it from...


US Patent US9187397 (2015)


BindingDB Entry DOI: 10.7270/Q2Q52NF9
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM191758
PNG
(US9187397, 1 (curcumin) | US9187397, 3a)
Show SMILES COc1cc(\C=C\C(\O)=C\C(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,22,24-25H,1-2H3/b7-3+,8-4+,16-13-
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n/an/a 8.20E+3n/an/an/an/an/an/a



STC.UNM

US Patent


Assay Description
TRAP Assay: The first procedure called for antioxidant activity to be measured as the ability of the analogs to react with the pre-formed radical mon...


US Patent US9187397 (2015)


BindingDB Entry DOI: 10.7270/Q2Q52NF9
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM191763
PNG
(US9187397, 1 | US9187406, Curcumin | curcumin)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(CO)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-27-21-11-15(5-9-20(21)26)3-7-18(24)12-17(23)6-2-14-4-8-19(25)16(10-14)13-22/h2-11,22,25-26H,12-13H2,1H3/b6-2+,7-3+
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STC.UNM

US Patent


Assay Description
The 293T/NF-κB-luc cells were re-plated 24 hr prior to treatment, into 24-well cell culture plates in media without hygromycin, to prevent it from...


US Patent US9187397 (2015)


BindingDB Entry DOI: 10.7270/Q2Q52NF9
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM191747
PNG
(US9187397, 20ag)
Show SMILES COc1cc(\C=C\C(=O)\C=C\c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O
Show InChI InChI=1S/C23H22O7/c1-15(24)29-20-11-7-17(13-22(20)27-3)5-9-19(26)10-6-18-8-12-21(30-16(2)25)23(14-18)28-4/h5-14H,1-4H3/b9-5+,10-6+
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n/an/a 8.30E+3n/an/an/an/an/an/a



STC.UNM

US Patent


Assay Description
Anti-oxidant activity was also measured in the Ferric reducing/anti-oxidant power assay (FRAP assay) in which the analogs are reacted with a ferric t...


US Patent US9187397 (2015)


BindingDB Entry DOI: 10.7270/Q2Q52NF9
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM191746
PNG
(US9187397, 20q)
Show SMILES Oc1ccccc1\C=C\C(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C17H14O3/c18-15(11-9-13-5-1-3-7-16(13)19)12-10-14-6-2-4-8-17(14)20/h1-12,19-20H/b11-9+,12-10+
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n/an/a 1.17E+4n/an/an/an/an/an/a



STC.UNM

US Patent


Assay Description
The first procedure called for antioxidant activity to be measured as the ability of the analogs to react with the pre-formed radical monocation of 2...


US Patent US9187397 (2015)


BindingDB Entry DOI: 10.7270/Q2Q52NF9
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM191758
PNG
(US9187397, 1 (curcumin) | US9187397, 3a)
Show SMILES COc1cc(\C=C\C(\O)=C\C(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,22,24-25H,1-2H3/b7-3+,8-4+,16-13-
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n/an/a 1.28E+4n/an/an/an/an/an/a



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US Patent


Assay Description
The 293T/NF-κB-luc cells were re-plated 24 hr prior to treatment, into 24-well cell culture plates in media without hygromycin, to prevent it from...


US Patent US9187397 (2015)


BindingDB Entry DOI: 10.7270/Q2Q52NF9
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Ligand-Target Pair