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Compile Data Set for Download or QSAR

Found 410 hits Enz. Inhib. hit(s) with Target = 'Nuclear factor NF-kappa-B (NF-kB)'   
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
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527568
PNG
(US11186588, Example 26)
Show SMILES Cc1nnc2N(Cc3ccc(F)nc3)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:15|
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n/an/a 12.3n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527554
PNG
(US11186588, Example 9)
Show SMILES Cc1nnc2N(Cc3cccc(F)c3)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:15|
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n/an/a 17.6n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527550
PNG
(US11186588, Example 5)
Show SMILES Cc1nnc2N(Cc3ccccn3)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:14|
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n/an/a 27.5n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM511480
PNG
(US11059789, Example 40 | US11691950, Example 40)
Show SMILES CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:15,t:11|
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n/an/a 28n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2C82FD9
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527563
PNG
(US11186588, Example 21 | US11186588, Example 22)
Show SMILES Cc1nnc2N(Cc3cccc(F)n3)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:15|
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n/an/a 30.3n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527557
PNG
(US11186588, Example 12)
Show SMILES Cc1sc-2c(c1C)C(=NN(Cc1cccc(C)c1)c1nnc(C)n-21)c1ccc(Cl)cc1 |c:8|
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n/an/a 32.1n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527563
PNG
(US11186588, Example 21 | US11186588, Example 22)
Show SMILES Cc1nnc2N(Cc3cccc(F)n3)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:15|
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n/an/a 33.6n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527616
PNG
(US11186588, Example 92)
Show SMILES Cc1nnc2N(Cc3cccnc3)N=C(c3c(C)c(C)sc3-n12)c1ccc(N)cc1 |c:14|
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n/an/a 34.2n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM511481
PNG
(US11059789, Example 25 | US11691950, Example 25)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
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n/an/a 39n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2C82FD9
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527608
PNG
(US11186588, Example 81)
Show SMILES Cc1nnc2N(Cc3cccnc3N)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:15|
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n/an/a 47.2n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50062648
PNG
(2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic...)
Show SMILES FC(F)(F)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C14H5ClF9N3O/c15-11-25-4-8(9(27-11)14(22,23)24)10(28)26-7-2-5(12(16,17)18)1-6(3-7)13(19,20)21/h1-4H,(H,26,28)
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n/an/a 50n/an/an/an/an/an/a



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Jurkat T-Cells stably transfected with an Nuclear factor kappa B transcription factor


J Med Chem 41: 413-9 (1998)


Article DOI: 10.1021/jm970671g
BindingDB Entry DOI: 10.7270/Q2P55MMZ
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527567
PNG
(US11186588, Example 25)
Show SMILES Cc1nnc2N(Cc3cccnc3F)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:15|
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n/an/a 50.3n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527549
PNG
(US11186588, Example 3)
Show SMILES Cc1sc-2c(c1C)C(=NN(Cc1ccccc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |c:8|
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n/an/a 51.9n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM511482
PNG
(US11059789, Example 83 | US11691950, Example 83)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C[C@H](N)C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
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n/an/a 55n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2C82FD9
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM511483
PNG
(US11059789, Example 66 | US11691950, Example 66)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c1ccc(cc1)C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2C82FD9
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50196926
PNG
(CHEMBL438139 | Rocaglamide | US10085988, Compound ...)
Show SMILES COc1ccc(cc1)[C@@]12Oc3cc(OC)cc(OC)c3[C@]1(O)[C@H](O)[C@@H]([C@H]2c1ccccc1)C(=O)N(C)C |r|
Show InChI InChI=1S/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,26,31,33H,1-5H3/t23-,24-,26-,28+,29+/m1/s1
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n/an/a 75n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p50 isolated from nuclear extract of human HeLa cells assessed as blockade of binding to biotinylated consesus sequence by chem...


J Nat Prod 73: 949-55 (2010)


Article DOI: 10.1021/np1002065
BindingDB Entry DOI: 10.7270/Q28S4QWW
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527560
PNG
(US11186588, Example 16)
Show SMILES Cc1sc-2c(c1C)C(=NN(Cc1cccc(Cl)c1)c1nnc(C)n-21)c1ccc(Cl)cc1 |c:8|
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n/an/a 77.5n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527551
PNG
(US11186588, Example 6)
Show SMILES COc1cccc(CN2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)c1 |c:9|
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n/an/a 86.4n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527572
PNG
(US11186588, Example 33)
Show SMILES COc1cccc(CN2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccccc2)c1 |c:9|
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n/an/a 87.2n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527610
PNG
(US11186588, Example 83 | US11186588, Example 86)
Show SMILES COC(=O)c1ncccc1CN1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |c:13|
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n/an/a 95.3n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527617
PNG
(N-(4-(2,3,9-trimethyl-6H-thieno[2,3-e][1,2,4]triaz...)
Show SMILES CC(=O)Nc1ccc(cc1)C1=NNc2nnc(C)n2-c2sc(C)c(C)c12 |t:11|
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TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM511484
PNG
(US11059789, Example 33 | US11691950, Example 33)
Show SMILES CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:14,t:10|
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n/an/a 103n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2C82FD9
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527553
PNG
(US11186588, Example 8)
Show SMILES Cc1nnc2N(Cc3ccccc3F)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:15|
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TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527575
PNG
(US11186588, Example 38)
Show SMILES Cc1nnc2N(Cc3cccnc3Cl)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:15|
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n/an/a 106n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527609
PNG
(US11186588, Example 82)
Show SMILES CC(=O)Nc1ncccc1CN1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |c:13|
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n/an/a 135n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527561
PNG
(US11186588, Example 18)
Show SMILES Cc1nnc2N(Cc3cccc(c3)C(F)(F)F)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:18|
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n/an/a 144n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527571
PNG
(US11186588, Example 31)
Show SMILES Cc1nnc2N(Cc3ccccn3)N=C(c3c(C)c(C)sc3-n12)c1ccccc1 |c:14|
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n/an/a 150n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527565
PNG
(US11186588, Example 23)
Show SMILES Cc1nnc2N(Cc3ncccc3F)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:15|
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n/an/a 158n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50062645
PNG
(3-[(2-Chloro-4-trifluoromethyl-pyrimidine-5-carbon...)
Show SMILES CCCCOC(=O)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C18H14ClF6N3O3/c1-2-3-4-31-15(30)9-5-10(17(20,21)22)7-11(6-9)27-14(29)12-8-26-16(19)28-13(12)18(23,24)25/h5-8H,2-4H2,1H3,(H,27,29)
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n/an/a 170n/an/an/an/an/an/a



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Jurkat T-Cells stably transfected with an Nuclear factor kappa B transcription factor


J Med Chem 41: 413-9 (1998)


Article DOI: 10.1021/jm970671g
BindingDB Entry DOI: 10.7270/Q2P55MMZ
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527555
PNG
(US11186588, Example 10)
Show SMILES Cc1sc-2c(c1C)C(=NN(Cc1ccccc1Cl)c1nnc(C)n-21)c1ccc(Cl)cc1 |c:8|
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TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527585
PNG
(US11186588, Example 49)
Show SMILES COc1ncccc1CN1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |c:11|
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TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527558
PNG
(US11186588, Example 13)
Show SMILES Cc1sc-2c(c1C)C(=NN(Cc1ccc(C)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |c:8|
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TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527601
PNG
(US11186588, Example 73)
Show SMILES Cc1sc(NC(=S)N(N)Cc2cccnc2)c(C(=O)c2cccc(Cl)c2)c1C
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n/an/a 246n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527570
PNG
(US11186588, Example 29)
Show SMILES Cc1sc-2c(c1C)C(=NN(Cc1ccccc1)c1nnc(C)n-21)c1ccccc1 |c:8|
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TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527587
PNG
(US11186588, Example 51)
Show SMILES COc1ccncc1CN1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |c:11|
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TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527559
PNG
(US11186588, Example 14)
Show SMILES Cc1nnc2N(Cc3ccc(cc3)C(F)(F)F)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:18|
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n/an/a 276n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50062658
PNG
(3-[(2-Chloro-4-trifluoromethyl-pyrimidine-5-carbon...)
Show SMILES CCOC(=O)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C16H10ClF6N3O3/c1-2-29-13(28)7-3-8(15(18,19)20)5-9(4-7)25-12(27)10-6-24-14(17)26-11(10)16(21,22)23/h3-6H,2H2,1H3,(H,25,27)
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Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Jurkat T-Cells stably transfected with an Nuclear factor kappa B transcription factor


J Med Chem 41: 413-9 (1998)


Article DOI: 10.1021/jm970671g
BindingDB Entry DOI: 10.7270/Q2P55MMZ
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527618
PNG
(US11186588, Example 103 | US11186588, Example 99)
Show SMILES COc1cncc(CNNC(=O)OC(C)(C)C)c1
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n/an/a 289n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527556
PNG
(US11186588, Example 11)
Show SMILES Cc1sc-2c(c1C)C(=NN(Cc1ccccc1C)c1nnc(C)n-21)c1ccc(Cl)cc1 |c:8|
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n/an/a 291n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527584
PNG
(US11186588, Example 48)
Show SMILES COc1ccnc(CN2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)c1 |c:9|
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n/an/a 297n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527615
PNG
(Synthesis of | US11186588, Example 90)
Show SMILES Cc1nnc2N(Cc3cccnc3F)N=C(c3c(C)c(C)sc3-n12)c1ccccc1 |c:15|
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n/an/a 298n/an/an/an/an/an/a


TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527586
PNG
(US11186588, Example 50)
Show SMILES COc1ccc(CN2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)cn1 |c:8|
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TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527595
PNG
(US11186588, Example 61)
Show SMILES Cc1nnc2N(Cc3cccnc3)N=C(c3ccsc3-n12)c1ccc(Cl)cc1 |c:14|
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TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50062669
PNG
(2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic...)
Show SMILES FC(F)(F)c1ccc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc1
Show InChI InChI=1S/C13H6ClF6N3O/c14-11-21-5-8(9(23-11)13(18,19)20)10(24)22-7-3-1-6(2-4-7)12(15,16)17/h1-5H,(H,22,24)
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Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Jurkat T-Cells stably transfected with an Nuclear factor kappa B transcription factor


J Med Chem 41: 413-9 (1998)


Article DOI: 10.1021/jm970671g
BindingDB Entry DOI: 10.7270/Q2P55MMZ
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527574
PNG
(US11186588, Example 36)
Show SMILES Cc1nnc2N(Cc3ccc(Cl)cn3)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:15|
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TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM527581
PNG
(US11186588, Example 45)
Show SMILES Cc1nnc2N(Cc3cccs3)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:13|
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TBA

Assay Description
A549/NF-κB-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A54...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6TQ4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367259
PNG
(US10226464, Compound 27)
Show SMILES Cc1cc2oc3nc(=O)[nH]c(=O)c3cc2cc1F
Show InChI InChI=1S/C12H7FN2O3/c1-5-2-9-6(4-8(5)13)3-7-10(16)14-12(17)15-11(7)18-9/h2-4H,1H3,(H,14,16,17)
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Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367260
PNG
(US10226464, Compound 28)
Show SMILES CCOc1cc2oc3nc(=O)[nH]c(=O)c3cc2cc1F
Show InChI InChI=1S/C13H9FN2O4/c1-2-19-10-5-9-6(4-8(10)14)3-7-11(17)15-13(18)16-12(7)20-9/h3-5H,2H2,1H3,(H,15,17,18)
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Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367263
PNG
(US10226464, Compound 31)
Show SMILES CCCCCCOc1cc2oc3nc(=O)[nH]c(=O)c3cc2cc1F
Show InChI InChI=1S/C17H17FN2O4/c1-2-3-4-5-6-23-14-9-13-10(8-12(14)18)7-11-15(21)19-17(22)20-16(11)24-13/h7-9H,2-6H2,1H3,(H,19,21,22)
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Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367265
PNG
(US10226464, Compound 33)
Show SMILES CC(C)CCOc1cc2oc3nc(=O)[nH]c(=O)c3cc2cc1F
Show InChI InChI=1S/C16H15FN2O4/c1-8(2)3-4-22-13-7-12-9(6-11(13)17)5-10-14(20)18-16(21)19-15(10)23-12/h5-8H,3-4H2,1-2H3,(H,18,20,21)
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Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
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