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Compile Data Set for Download or QSAR

Found 86 hits Enz. Inhib. hit(s) with Target = 'I-kappa-B-alpha' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
I-kappa-B-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
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


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-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
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


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-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
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


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-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
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


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-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
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


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-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
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


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-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
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


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-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
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


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-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
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


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-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
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


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-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
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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n/an/a>5.00E+4n/an/an/an/an/an/a


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-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
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


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-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
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


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-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
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


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-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
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
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n/an/a>5.00E+4n/an/an/an/an/an/a


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-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
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
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n/an/a>5.00E+4n/an/an/an/an/an/a


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-alpha


(Homo sapiens (human))
BDBM50372493
PNG
(CHEMBL404128)
Show SMILES COc1ccc2c(c1)-c1ccc3cccnc3c1NS2(=O)=O
Show InChI InChI=1S/C16H12N2O3S/c1-21-11-5-7-14-13(9-11)12-6-4-10-3-2-8-17-15(10)16(12)18-22(14,19)20/h2-9,18H,1H3
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n/an/an/an/a 1.30E+3n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-alpha


(Homo sapiens (human))
BDBM50069985
PNG
((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O
Show InChI InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-alpha


(Homo sapiens (human))
BDBM50069985
PNG
((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O
Show InChI InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1
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n/an/an/an/a 5.20E+3n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of human IkappaBalpha stabilization in OCI-Ly3 cells assessed as ratio of green light emiting IkappaBalpha-fused luciferase expression to r...


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-alpha


(Homo sapiens (human))
BDBM50372494
PNG
(CHEMBL273148)
Show SMILES Cc1ccc2ccc-3c(NS(=O)(=O)c4ccc(cc-34)C(F)(F)F)c2n1
Show InChI InChI=1S/C17H11F3N2O2S/c1-9-2-3-10-4-6-12-13-8-11(17(18,19)20)5-7-14(13)25(23,24)22-16(12)15(10)21-9/h2-8,22H,1H3
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n/an/an/an/a 8.90E+3n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-alpha


(Homo sapiens (human))
BDBM50372495
PNG
(CHEMBL273147)
Show SMILES COc1ccc2c(c1)-c1ccc3ccc(C)nc3c1NS2(=O)=O
Show InChI InChI=1S/C17H14N2O3S/c1-10-3-4-11-5-7-13-14-9-12(22-2)6-8-15(14)23(20,21)19-17(13)16(11)18-10/h3-9,19H,1-2H3
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n/an/an/an/a 3.70E+3n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-alpha


(Homo sapiens (human))
BDBM50372496
PNG
(CHEMBL273149)
Show SMILES COc1cc2ccc(C)nc2c2NS(=O)(=O)c3ccc(C)cc3-c12
Show InChI InChI=1S/C18H16N2O3S/c1-10-4-7-15-13(8-10)16-14(23-3)9-12-6-5-11(2)19-17(12)18(16)20-24(15,21)22/h4-9,20H,1-3H3
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n/an/an/an/a 1.40E+3n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-alpha


(Homo sapiens (human))
BDBM50372497
PNG
(CHEMBL270798)
Show SMILES Cc1cnc2c3NS(=O)(=O)c4ccccc4-c3ccc2c1
Show InChI InChI=1S/C16H12N2O2S/c1-10-8-11-6-7-13-12-4-2-3-5-14(12)21(19,20)18-16(13)15(11)17-9-10/h2-9,18H,1H3
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n/an/an/an/a 7.00E+3n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-alpha


(Homo sapiens (human))
BDBM50372498
PNG
(CHEMBL429599)
Show SMILES Clc1ccc2c(c1)-c1ccc3cccnc3c1NS2(=O)=O
Show InChI InChI=1S/C15H9ClN2O2S/c16-10-4-6-13-12(8-10)11-5-3-9-2-1-7-17-14(9)15(11)18-21(13,19)20/h1-8,18H
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n/an/an/an/a 1.10E+3n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-alpha


(Homo sapiens (human))
BDBM50372499
PNG
(CHEMBL270799)
Show SMILES Fc1ccc2c(c1)-c1ccc3cccnc3c1NS2(=O)=O
Show InChI InChI=1S/C15H9FN2O2S/c16-10-4-6-13-12(8-10)11-5-3-9-2-1-7-17-14(9)15(11)18-21(13,19)20/h1-8,18H
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n/an/an/an/a 4.10E+3n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-alpha


(Homo sapiens (human))
BDBM50372500
PNG
(CHEMBL272553)
Show SMILES COc1cc2cccnc2c2NS(=O)(=O)c3ccc(C)cc3-c12
Show InChI InChI=1S/C17H14N2O3S/c1-10-5-6-14-12(8-10)15-13(22-2)9-11-4-3-7-18-16(11)17(15)19-23(14,20)21/h3-9,19H,1-2H3
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n/an/an/an/a 1.30E+3n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-alpha


(Homo sapiens (human))
BDBM50372501
PNG
(CHEMBL271669)
Show SMILES Cc1ccc2c(c1)-c1ccc3cccnc3c1NS2(=O)=O
Show InChI InChI=1S/C16H12N2O2S/c1-10-4-7-14-13(9-10)12-6-5-11-3-2-8-17-15(11)16(12)18-21(14,19)20/h2-9,18H,1H3
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n/an/an/an/a 500n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-alpha


(Homo sapiens (human))
BDBM36894
PNG
(5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide ...)
Show SMILES O=S1(=O)Nc2c(ccc3cccnc23)-c2ccccc12
Show InChI InChI=1S/C15H10N2O2S/c18-20(19)13-6-2-1-5-11(13)12-8-7-10-4-3-9-16-14(10)15(12)17-20/h1-9,17H
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n/an/an/an/a 2.20E+3n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-alpha


(Homo sapiens (human))
BDBM50372502
PNG
(CHEMBL256403)
Show SMILES Cc1ccc2cccc(NS(=O)(=O)c3ccc(Cl)s3)c2n1
Show InChI InChI=1S/C14H11ClN2O2S2/c1-9-5-6-10-3-2-4-11(14(10)16-9)17-21(18,19)13-8-7-12(15)20-13/h2-8,17H,1H3
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n/an/an/an/a 1.40E+3n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-alpha


(Homo sapiens (human))
BDBM50372503
PNG
(CHEMBL401504)
Show SMILES Brc1ccc(s1)S(=O)(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C13H9BrN2O2S2/c14-11-6-7-12(19-11)20(17,18)16-10-5-1-3-9-4-2-8-15-13(9)10/h1-8,16H
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n/an/an/an/a 5.90E+3n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-alpha


(Homo sapiens (human))
BDBM50372504
PNG
(CHEMBL257446)
Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C13H9ClN2O2S2/c14-11-6-7-12(19-11)20(17,18)16-10-5-1-3-9-4-2-8-15-13(9)10/h1-8,16H
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n/an/an/an/a 2.70E+3n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-alpha


(Homo sapiens (human))
BDBM50372505
PNG
(CHEMBL401505)
Show SMILES COc1cc(NS(=O)(=O)c2ccc(C)cc2N)c2nc(C)ccc2c1
Show InChI InChI=1S/C18H19N3O3S/c1-11-4-7-17(15(19)8-11)25(22,23)21-16-10-14(24-3)9-13-6-5-12(2)20-18(13)16/h4-10,21H,19H2,1-3H3
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n/an/an/an/a 9.40E+3n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-alpha


(Homo sapiens (human))
BDBM50372506
PNG
(CHEMBL256061)
Show SMILES COc1cc(NS(=O)(=O)c2ccc(C)cc2N)c2ncccc2c1
Show InChI InChI=1S/C17H17N3O3S/c1-11-5-6-16(14(18)8-11)24(21,22)20-15-10-13(23-2)9-12-4-3-7-19-17(12)15/h3-10,20H,18H2,1-2H3
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n/an/an/an/a 4.00E+3n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-alpha


(Homo sapiens (human))
BDBM50372507
PNG
(CHEMBL256062)
Show SMILES Nc1ccccc1S(=O)(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C15H13N3O2S/c16-12-7-1-2-9-14(12)21(19,20)18-13-8-3-5-11-6-4-10-17-15(11)13/h1-10,18H,16H2
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n/an/an/an/a 1.10E+4n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-alpha


(Homo sapiens (human))
BDBM50372508
PNG
(CHEMBL256244)
Show SMILES COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2nc(C)ccc2c1
Show InChI InChI=1S/C18H18N2O3S/c1-12-4-8-16(9-5-12)24(21,22)20-17-11-15(23-3)10-14-7-6-13(2)19-18(14)17/h4-11,20H,1-3H3
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n/an/an/an/a 2.00E+4n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-alpha


(Homo sapiens (human))
BDBM50372509
PNG
(CHEMBL256243)
Show SMILES COc1cc(NS(=O)(=O)c2ccc(C)cc2[N+]([O-])=O)c2nc(C)ccc2c1
Show InChI InChI=1S/C18H17N3O5S/c1-11-4-7-17(16(8-11)21(22)23)27(24,25)20-15-10-14(26-3)9-13-6-5-12(2)19-18(13)15/h4-10,20H,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-alpha


(Homo sapiens (human))
BDBM50372510
PNG
(CHEMBL269942)
Show SMILES COc1cc(NS(=O)(=O)c2ccc(C)cc2[N+]([O-])=O)c2ncccc2c1
Show InChI InChI=1S/C17H15N3O5S/c1-11-5-6-16(15(8-11)20(21)22)26(23,24)19-14-10-13(25-2)9-12-4-3-7-18-17(12)14/h3-10,19H,1-2H3
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n/an/an/an/a 6.80E+3n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-alpha


(Homo sapiens (human))
BDBM50372511
PNG
(CHEMBL404588)
Show SMILES [O-][N+](=O)c1cc(ccc1S(=O)(=O)Nc1cccc2cccnc12)C(F)(F)F
Show InChI InChI=1S/C16H10F3N3O4S/c17-16(18,19)11-6-7-14(13(9-11)22(23)24)27(25,26)21-12-5-1-3-10-4-2-8-20-15(10)12/h1-9,21H
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n/an/an/an/a 3.60E+3n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-alpha


(Homo sapiens (human))
BDBM50372512
PNG
(CHEMBL429586)
Show SMILES Cc1ccc(cc1S(=O)(=O)Nc1cccc2cccnc12)[N+]([O-])=O
Show InChI InChI=1S/C16H13N3O4S/c1-11-7-8-13(19(20)21)10-15(11)24(22,23)18-14-6-2-4-12-5-3-9-17-16(12)14/h2-10,18H,1H3
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n/an/an/an/a 1.00E+3n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-alpha


(Homo sapiens (human))
BDBM53740
PNG
(2-[(5-chloro-4-tosyl-thiazol-2-yl)amino]ethyl-dime...)
Show SMILES CN(C)CCNc1nc(c(Cl)s1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C14H18ClN3O2S2/c1-10-4-6-11(7-5-10)22(19,20)13-12(15)21-14(17-13)16-8-9-18(2)3/h4-7H,8-9H2,1-3H3,(H,16,17)
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n/an/an/an/a 6.80E+3n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-alpha


(Homo sapiens (human))
BDBM50372513
PNG
(CHEMBL256204)
Show SMILES Cc1ccc2cccc(NS(=O)(=O)c3ccccc3[N+]([O-])=O)c2n1
Show InChI InChI=1S/C16H13N3O4S/c1-11-9-10-12-5-4-6-13(16(12)17-11)18-24(22,23)15-8-3-2-7-14(15)19(20)21/h2-10,18H,1H3
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n/an/an/an/a 6.80E+3n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-alpha


(Homo sapiens (human))
BDBM60287
PNG
(2-nitro-N-(8-quinolinyl)benzenesulfonamide | 2-nit...)
Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C15H11N3O4S/c19-18(20)13-8-1-2-9-14(13)23(21,22)17-12-7-3-5-11-6-4-10-16-15(11)12/h1-10,17H
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n/an/an/an/a 1.10E+4n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-alpha


(Homo sapiens (human))
BDBM50372514
PNG
(CHEMBL540966)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C15H11N3O4S/c19-18(20)12-6-8-13(9-7-12)23(21,22)17-14-5-1-3-11-4-2-10-16-15(11)14/h1-10,17H
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n/an/an/an/a 6.50E+3n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-alpha


(Homo sapiens (human))
BDBM50372494
PNG
(CHEMBL273148)
Show SMILES Cc1ccc2ccc-3c(NS(=O)(=O)c4ccc(cc-34)C(F)(F)F)c2n1
Show InChI InChI=1S/C17H11F3N2O2S/c1-9-2-3-10-4-6-12-13-8-11(17(18,19)20)5-7-14(13)25(23,24)22-16(12)15(10)21-9/h2-8,22H,1H3
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n/an/an/an/a 7.20E+3n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of human IkappaBalpha stabilization in OCI-Ly3 cells assessed as ratio of green light emiting IkappaBalpha-fused luciferase expression to r...


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-alpha


(Homo sapiens (human))
BDBM50372515
PNG
(CHEMBL403333)
Show SMILES Cc1ccc2ccc-3c(NS(=O)(=O)c4ccc(O)cc-34)c2n1
Show InChI InChI=1S/C16H12N2O3S/c1-9-2-3-10-4-6-12-13-8-11(19)5-7-14(13)22(20,21)18-16(12)15(10)17-9/h2-8,18-19H,1H3
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n/an/an/an/a 8.00E+3n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-alpha


(Homo sapiens (human))
BDBM50372516
PNG
(CHEMBL272552)
Show SMILES FC(F)(F)c1ccc2c(c1)-c1ccc3cccnc3c1NS2(=O)=O
Show InChI InChI=1S/C16H9F3N2O2S/c17-16(18,19)10-4-6-13-12(8-10)11-5-3-9-2-1-7-20-14(9)15(11)21-24(13,22)23/h1-8,21H
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n/an/an/an/a 700n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-alpha


(Homo sapiens (human))
BDBM50372517
PNG
(CHEMBL256609)
Show SMILES Cc1ccc2cccc(NS(=O)(=O)c3ccc(Br)s3)c2n1
Show InChI InChI=1S/C14H11BrN2O2S2/c1-9-5-6-10-3-2-4-11(14(10)16-9)17-21(18,19)13-8-7-12(15)20-13/h2-8,17H,1H3
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n/an/an/an/a 6.10E+3n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-alpha


(Homo sapiens (human))
BDBM50372518
PNG
(CHEMBL257234)
Show SMILES O=S(=O)(Nc1cccc2cccnc12)c1cccs1
Show InChI InChI=1S/C13H10N2O2S2/c16-19(17,12-7-3-9-18-12)15-11-6-1-4-10-5-2-8-14-13(10)11/h1-9,15H
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n/an/an/an/a 5.30E+3n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-alpha


(Homo sapiens (human))
BDBM50372519
PNG
(CHEMBL258314)
Show SMILES Cc1ccc2cccc(NS(=O)(=O)c3ccccc3N)c2n1
Show InChI InChI=1S/C16H15N3O2S/c1-11-9-10-12-5-4-7-14(16(12)18-11)19-22(20,21)15-8-3-2-6-13(15)17/h2-10,19H,17H2,1H3
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n/an/an/an/a 8.00E+3n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
I-kappa-B-alpha


(Homo sapiens (human))
BDBM50372521
PNG
(CHEMBL403922)
Show SMILES Cc1ccc2cccc(NS(=O)(=O)c3cc(ccc3C)[N+]([O-])=O)c2n1
Show InChI InChI=1S/C17H15N3O4S/c1-11-6-9-14(20(21)22)10-16(11)25(23,24)19-15-5-3-4-13-8-7-12(2)18-17(13)15/h3-10,19H,1-2H3
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n/an/an/an/a>2.00E+4n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
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