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Compile Data Set for Download or QSAR

Found 16 hits of ic50 for UniProtKB: P25963   
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
NF-kappa-B inhibitor alpha


(Homo sapiens (Human))		BDBM50437341
PNG
(WITHANOLIDE E)
Show SMILES CC1=C(C)C(=O)O[C@H](C1)[C@](C)(O)[C@]1(O)CC[C@@]2(O)[C@@H]3C[C@H]4O[C@]44CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C |r,c:1,26|
Show InChI InChI=1S/C28H38O7/c1-15-13-20(34-22(30)16(15)2)25(5,31)28(33)12-11-26(32)18-14-21-27(35-21)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-18,20-21,31-33H,8-14H2,1-5H3/t17-,18+,20+,21+,23-,24-,25-,26+,27+,28-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-induced IkappaBalpha (unknown origin) phosphorylation expressed in human HeLa cells pretreated 30 mins before TNFalpha additio...

ACS Med Chem Lett 4: 730-5 (2013)


Article DOI: 10.1021/ml400144e
BindingDB Entry DOI: 10.7270/Q25D8T7D
More data for this
Ligand-Target Pair
NF-kappa-B inhibitor alpha


(Homo sapiens (Human))		BDBM50437352
PNG
(CHEMBL2408033)
Show SMILES C[C@@]12OC(=O)[C@@]3(O)CC[C@H]4[C@@H](CC=C5CC=CC(=O)[C@]45C)[C@@]4(O)O[C@@]13[C@@H](C4=O)[C@]1(C)C[C@H]2OC(=O)C1=C |r,c:15,t:12|
Show InChI InChI=1S/C28H30O9/c1-13-21(31)35-18-12-23(13,2)19-20(30)27(34)16-9-8-14-6-5-7-17(29)24(14,3)15(16)10-11-26(33)22(32)36-25(18,4)28(19,26)37-27/h5,7-8,15-16,18-19,33-34H,1,6,9-12H2,2-4H3/t15-,16+,18?,19-,23+,24-,25-,26-,27+,28-/m0/s1
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n/an/a 2.62E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-induced IkappaBalpha (unknown origin) phosphorylation expressed in human HeLa cells pretreated 30 mins before TNFalpha additio...

ACS Med Chem Lett 4: 730-5 (2013)


Article DOI: 10.1021/ml400144e
BindingDB Entry DOI: 10.7270/Q25D8T7D
More data for this
Ligand-Target Pair
NF-kappa-B inhibitor alpha


(Homo sapiens (Human))		BDBM50378033
PNG
(PHYSALIN F)
Show SMILES C[C@@]12OC(=O)[C@]3(O)CC[C@H]4[C@@H](C[C@H]5O[C@]55CC=CC(=O)[C@]45C)[C@@]45O[C@@]13[C@@H](C4=O)[C@]1(C)C[C@H]2OC(=O)[C@@H]1CO5 |r,c:17,TLB:33:35:26:24.23,30:28:26:24.23,THB:29:28:26:24.23|
Show InChI InChI=1S/C28H30O10/c1-22-10-17-24(3)28-18(22)19(30)27(38-28,34-11-14(22)20(31)35-17)13-9-16-26(36-16)7-4-5-15(29)23(26,2)12(13)6-8-25(28,33)21(32)37-24/h4-5,12-14,16-18,33H,6-11H2,1-3H3/t12-,13+,14-,16+,17+,18-,22+,23-,24-,25+,26+,27+,28-/m0/s1
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n/an/a 2.71E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-induced IkappaBalpha (unknown origin) phosphorylation expressed in human HeLa cells pretreated 30 mins before TNFalpha additio...

ACS Med Chem Lett 4: 730-5 (2013)


Article DOI: 10.1021/ml400144e
BindingDB Entry DOI: 10.7270/Q25D8T7D
More data for this
Ligand-Target Pair
NF-kappa-B inhibitor alpha


(Homo sapiens (Human))		BDBM50437349
PNG
(25-HYDROXY PHYSALIN F)
Show SMILES C[C@@]12OC(=O)[C@@]3(O)CC[C@H]4[C@@H](C[C@H]5O[C@]55CC=CC(=O)[C@]45C)[C@@]45O[C@@]13[C@@H](C4=O)[C@]1(C)C[C@H]2OC(=O)[C@]1(O)CO5 |r,c:17,TLB:30:28:26:24.23,33:35:26:24.23,THB:36:35:26:24.23,29:28:26:24.23|
Show InChI InChI=1S/C28H30O11/c1-21-10-16-23(3)28-17(21)18(30)27(39-28,35-11-25(21,34)19(31)36-16)13-9-15-26(37-15)7-4-5-14(29)22(26,2)12(13)6-8-24(28,33)20(32)38-23/h4-5,12-13,15-17,33-34H,6-11H2,1-3H3/t12-,13+,15+,16?,17-,21-,22-,23-,24-,25+,26+,27+,28-/m0/s1
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n/an/a 3.01E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-induced IkappaBalpha (unknown origin) phosphorylation expressed in human HeLa cells pretreated 30 mins before TNFalpha additio...

ACS Med Chem Lett 4: 730-5 (2013)


Article DOI: 10.1021/ml400144e
BindingDB Entry DOI: 10.7270/Q25D8T7D
More data for this
Ligand-Target Pair
NF-kappa-B inhibitor alpha


(Homo sapiens (Human))		BDBM50378034
PNG
(CHEMBL504404 | NSC-287088 | PHYSALIN B)
Show SMILES C[C@@]12OC(=O)[C@@]3(O)CC[C@H]4[C@@H](CC=C5CC=CC(=O)[C@]45C)[C@@]45O[C@@]13[C@@H](C4=O)[C@]1(C)C[C@H]2OC(=O)[C@@H]1CO5 |r,c:15,t:12,TLB:29:27:25:22.23,32:34:25:22.23,THB:28:27:25:22.23|
Show InChI InChI=1S/C28H30O9/c1-23-11-18-25(3)28-19(23)20(30)27(37-28,34-12-16(23)21(31)35-18)15-8-7-13-5-4-6-17(29)24(13,2)14(15)9-10-26(28,33)22(32)36-25/h4,6-7,14-16,18-19,33H,5,8-12H2,1-3H3/t14-,15+,16-,18+,19-,23+,24-,25-,26-,27+,28-/m0/s1
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n/an/a 3.75E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-induced IkappaBalpha (unknown origin) phosphorylation expressed in human HeLa cells pretreated 30 mins before TNFalpha additio...

ACS Med Chem Lett 4: 730-5 (2013)


Article DOI: 10.1021/ml400144e
BindingDB Entry DOI: 10.7270/Q25D8T7D
More data for this
Ligand-Target Pair
NF-kappa-B inhibitor alpha


(Homo sapiens (Human))		BDBM50437346
PNG
(CHEMBL2408037)
Show SMILES C[C@@]12OC(=O)[C@@]3(O)CC[C@H]4[C@@H](CC=C5CC=CC(=O)[C@]45C)[C@@]4(O)O[C@@]13[C@@H](C4=O)[C@]1(C)C[C@H]2OC(=O)[C@@]1(C)O |r,c:15,t:12|
Show InChI InChI=1S/C28H32O10/c1-22-12-17(36-20(31)24(22,3)33)25(4)28-18(22)19(30)27(35,38-28)15-9-8-13-6-5-7-16(29)23(13,2)14(15)10-11-26(28,34)21(32)37-25/h5,7-8,14-15,17-18,33-35H,6,9-12H2,1-4H3/t14-,15+,17?,18-,22-,23-,24+,25-,26-,27+,28-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-induced IkappaBalpha (unknown origin) phosphorylation expressed in human HeLa cells pretreated 30 mins before TNFalpha additio...

ACS Med Chem Lett 4: 730-5 (2013)


Article DOI: 10.1021/ml400144e
BindingDB Entry DOI: 10.7270/Q25D8T7D
More data for this
Ligand-Target Pair
NF-kappa-B inhibitor alpha


(Homo sapiens (Human))		BDBM50437347
PNG
(PHYSALIN J)
Show SMILES C[C@@]12OC(=O)[C@]3(O)CC[C@H]4[C@@H](C[C@@H]5O[C@@]55CC=CC(=O)[C@]45C)[C@]45O[C@@]13C(C4=O)[C@]1(C)C[C@H]2OC(=O)[C@@H]1CO5 |c:17,TLB:1:24:26:28.37.36.35|
Show InChI InChI=1S/C28H30O10/c1-22-10-17-24(3)28-18(22)19(30)27(38-28,34-11-14(22)20(31)35-17)13-9-16-26(36-16)7-4-5-15(29)23(26,2)12(13)6-8-25(28,33)21(32)37-24/h4-5,12-14,16-18,33H,6-11H2,1-3H3/t12-,13+,14-,16-,17+,18?,22+,23-,24-,25+,26-,27-,28-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-induced IkappaBalpha (unknown origin) phosphorylation expressed in human HeLa cells pretreated 30 mins before TNFalpha additio...

ACS Med Chem Lett 4: 730-5 (2013)


Article DOI: 10.1021/ml400144e
BindingDB Entry DOI: 10.7270/Q25D8T7D
More data for this
Ligand-Target Pair
NF-kappa-B inhibitor alpha


(Homo sapiens (Human))		BDBM50437348
PNG
(25-HYDROXY PHYSALIN J)
Show SMILES C[C@@]12OC(=O)[C@@]3(O)CC[C@H]4[C@@H](C[C@@H]5O[C@@]55CC=CC(=O)[C@]45C)[C@@]45O[C@@]13[C@@H](C4=O)[C@]1(C)C[C@H]2OC(=O)[C@]1(O)CO5 |r,c:17,TLB:30:28:26:24.23,33:35:26:24.23,THB:36:35:26:24.23,29:28:26:24.23|
Show InChI InChI=1S/C28H30O11/c1-21-10-16-23(3)28-17(21)18(30)27(39-28,35-11-25(21,34)19(31)36-16)13-9-15-26(37-15)7-4-5-14(29)22(26,2)12(13)6-8-24(28,33)20(32)38-23/h4-5,12-13,15-17,33-34H,6-11H2,1-3H3/t12-,13+,15-,16?,17-,21-,22-,23-,24-,25+,26-,27+,28-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-induced IkappaBalpha (unknown origin) phosphorylation expressed in human HeLa cells pretreated 30 mins before TNFalpha additio...

ACS Med Chem Lett 4: 730-5 (2013)


Article DOI: 10.1021/ml400144e
BindingDB Entry DOI: 10.7270/Q25D8T7D
More data for this
Ligand-Target Pair
NF-kappa-B inhibitor alpha


(Homo sapiens (Human))		BDBM50437350
PNG
(CHEMBL2408034)
Show SMILES C[C@@]12OC(=O)[C@]3(O)CC[C@H]4[C@@H]([C@H](O)C=C5CC=CC(=O)[C@]45C)[C@@]45O[C@@]13[C@@H](C4=O)[C@]1(C)C[C@H]2OC(=O)[C@@H]1CO5 |r,c:16,t:13,TLB:30:28:26:24.23,33:35:26:24.23,THB:29:28:26:24.23,28:25:23:5.9.10.7.8,27:26:23:5.9.10.7.8|
Show InChI InChI=1S/C28H30O10/c1-23-10-17-25(3)28-19(23)20(31)27(38-28,35-11-14(23)21(32)36-17)18-13(7-8-26(28,34)22(33)37-25)24(2)12(9-15(18)29)5-4-6-16(24)30/h4,6,9,13-15,17-19,29,34H,5,7-8,10-11H2,1-3H3/t13-,14-,15+,17?,18-,19-,23+,24-,25-,26+,27+,28-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-induced IkappaBalpha (unknown origin) phosphorylation expressed in human HeLa cells pretreated 30 mins before TNFalpha additio...

ACS Med Chem Lett 4: 730-5 (2013)


Article DOI: 10.1021/ml400144e
BindingDB Entry DOI: 10.7270/Q25D8T7D
More data for this
Ligand-Target Pair
NF-kappa-B inhibitor alpha


(Homo sapiens (Human))		BDBM50437351
PNG
(PHYSALIN A)
Show SMILES C[C@@]12OC(=O)[C@@]3(O)CC[C@H]4[C@@H]([C@H](O)C=C5CC=CC(=O)[C@]45C)[C@@]4(O)O[C@@]13[C@@H](C4=O)[C@]1(C)C[C@H]2OC(=O)C1=C |r,c:16,t:13,THB:29:26:9.10.7.8.5:24,28:27:9.10.7.8.5:24|
Show InChI InChI=1S/C28H30O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5,7,10,14-15,17-19,29,34-35H,1,6,8-9,11H2,2-4H3/t14-,15+,17+,18-,19-,23+,24-,25-,26-,27+,28-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-induced IkappaBalpha (unknown origin) phosphorylation expressed in human HeLa cells pretreated 30 mins before TNFalpha additio...

ACS Med Chem Lett 4: 730-5 (2013)


Article DOI: 10.1021/ml400144e
BindingDB Entry DOI: 10.7270/Q25D8T7D
More data for this
Ligand-Target Pair
NF-kappa-B inhibitor alpha


(Homo sapiens (Human))		BDBM50437345
PNG
(PHYSALIN O)
Show SMILES C[C@@H]1C(=O)O[C@@H]2C[C@@]1(C)[C@@H]1C(=O)[C@]3(O)O[C@]11[C@@]2(C)OC(=O)[C@@]1(O)CC[C@H]1[C@H]3[C@H](O)C=C2CC=CC(=O)[C@]12C |r,c:37,t:34,TLB:7:9:25.26.23.24.21:14,11:10:25.26.23.24.21:14|
Show InChI InChI=1S/C28H32O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5,7,10,12,14-15,17-19,29,34-35H,6,8-9,11H2,1-4H3/t12-,14+,15-,17-,18+,19+,23-,24+,25+,26+,27-,28+/m1/s1
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RIKEN

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-induced IkappaBalpha (unknown origin) phosphorylation expressed in human HeLa cells pretreated 30 mins before TNFalpha additio...

ACS Med Chem Lett 4: 730-5 (2013)


Article DOI: 10.1021/ml400144e
BindingDB Entry DOI: 10.7270/Q25D8T7D
More data for this
Ligand-Target Pair
NF-kappa-B inhibitor alpha


(Homo sapiens (Human))		BDBM50437344
PNG
(WITHANOLIDE F)
Show SMILES CC1=C(C)C(=O)O[C@H](C1)[C@](C)(O)[C@]1(O)CC[C@@]2(O)[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C |r,c:1,24,t:21|
Show InChI InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-induced IkappaBalpha (unknown origin) phosphorylation expressed in human HeLa cells pretreated 30 mins before TNFalpha additio...

ACS Med Chem Lett 4: 730-5 (2013)


Article DOI: 10.1021/ml400144e
BindingDB Entry DOI: 10.7270/Q25D8T7D
More data for this
Ligand-Target Pair
NF-kappa-B inhibitor alpha


(Homo sapiens (Human))		BDBM50437343
PNG
(CHEMBL2333678)
Show SMILES CC1=C(C)C(=O)O[C@H](C1)[C@](C)(O)[C@H]1CC[C@@]2(O)[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C |r,c:1,23,t:20|
Show InChI InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6,8-9,19-21,23,31-32H,7,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-induced IkappaBalpha (unknown origin) phosphorylation expressed in human HeLa cells pretreated 30 mins before TNFalpha additio...

ACS Med Chem Lett 4: 730-5 (2013)


Article DOI: 10.1021/ml400144e
BindingDB Entry DOI: 10.7270/Q25D8T7D
More data for this
Ligand-Target Pair
NF-kappa-B inhibitor alpha


(Homo sapiens (Human))		BDBM50437342
PNG
(CHEMBL2333675)
Show SMILES CC1=C(C)C(=O)O[C@H](C1)[C@](C)(O)C1=CC[C@@]2(O)[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C |r,c:1,23,t:13,20|
Show InChI InChI=1S/C28H36O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6,8-9,12,19-20,23,31-32H,7,10-11,13-15H2,1-5H3/t19-,20+,23+,25+,26-,27+,28+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-induced IkappaBalpha (unknown origin) phosphorylation expressed in human HeLa cells pretreated 30 mins before TNFalpha additio...

ACS Med Chem Lett 4: 730-5 (2013)


Article DOI: 10.1021/ml400144e
BindingDB Entry DOI: 10.7270/Q25D8T7D
More data for this
Ligand-Target Pair
NF-kappa-B inhibitor alpha


(Homo sapiens (Human))		BDBM50437339
PNG
(CHEMBL2408039)
Show SMILES C[C@@H]1[C@H](C[C@@H](O)[C@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)COC1=O |r,c:20,t:17|
Show InChI InChI=1S/C28H40O7/c1-16-17(15-35-23(16)31)14-22(30)26(4,32)28(34)13-12-27(33)20-9-8-18-6-5-7-21(29)25(18,3)19(20)10-11-24(27,28)2/h5,7-8,16-17,19-20,22,30,32-34H,6,9-15H2,1-4H3/t16-,17-,19+,20-,22-,24+,25+,26+,27-,28-/m1/s1
PDB
MMDB

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n/an/a>5.00E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-induced IkappaBalpha (unknown origin) phosphorylation expressed in human HeLa cells pretreated 30 mins before TNFalpha additio...

ACS Med Chem Lett 4: 730-5 (2013)


Article DOI: 10.1021/ml400144e
BindingDB Entry DOI: 10.7270/Q25D8T7D
More data for this
Ligand-Target Pair
NF-kappa-B inhibitor alpha


(Homo sapiens (Human))		BDBM50437340
PNG
(CHEMBL2408038)
Show SMILES C[C@@H]1[C@H](C[C@@H](O)[C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)COC1=O |r,c:20,t:17|
Show InChI InChI=1S/C28H40O7/c1-16-17(15-35-23(16)31)14-22(30)26(4,32)28(34)13-12-27(33)20-9-8-18-6-5-7-21(29)25(18,3)19(20)10-11-24(27,28)2/h5,7-8,16-17,19-20,22,30,32-34H,6,9-15H2,1-4H3/t16-,17-,19+,20-,22-,24+,25+,26+,27-,28+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-induced IkappaBalpha (unknown origin) phosphorylation expressed in human HeLa cells pretreated 30 mins before TNFalpha additio...

ACS Med Chem Lett 4: 730-5 (2013)


Article DOI: 10.1021/ml400144e
BindingDB Entry DOI: 10.7270/Q25D8T7D
More data for this
Ligand-Target Pair