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Compile Data Set for Download or QSAR

Found 291 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 (NF-kB)


(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 (NF-kB)


(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 (NF-kB)


(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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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 (NF-kB)


(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 (NF-kB)


(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
emsa


(Homo sapiens (Human))
BDBM367259
PNG
(US10226464, Compound 27)
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Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367250
PNG
(US10226464, Compound 18)
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Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367261
PNG
(US10226464, Compound 29)
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Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367262
PNG
(US10226464, Compound 30)
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Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367263
PNG
(US10226464, Compound 31)
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Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367264
PNG
(US10226464, Compound 32)
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Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367265
PNG
(US10226464, Compound 33)
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Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367266
PNG
(US10226464, Compound 34)
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Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367269
PNG
(US10226464, Compound 36)
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Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367270
PNG
(US10226464, Compound 37)
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Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367271
PNG
(US10226464, Compound 38)
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Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367272
PNG
(US10226464, Compound 39)
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Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367273
PNG
(US10226464, Compound 40)
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Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367274
PNG
(US10226464, Compound 41)
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Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367275
PNG
(US10226464, Compound 42)
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Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367276
PNG
(US10226464, Compound 43)
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Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367277
PNG
(US10226464, Compound 44)
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Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367278
PNG
(US10226464, Compound 45)
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Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367279
PNG
(US10226464, Compound 46)
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n/an/a<500n/an/an/an/an/an/a



Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367281
PNG
(US10226464, Compound 48)
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Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367285
PNG
(US10226464, Compound 52)
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Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50062661
PNG
(2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic...)
Show SMILES FC(F)(F)c1nc(Cl)ncc1C(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C12H5Cl3F3N3O/c13-5-1-6(14)3-7(2-5)20-10(22)8-4-19-11(15)21-9(8)12(16,17)18/h1-4H,(H,20,22)
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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
emsa


(Homo sapiens (Human))
BDBM367238
PNG
(US10226464, Compound 8)
PDB

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n/an/a<500n/an/an/an/an/an/a



Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367246
PNG
(US10226464, Compound 15)
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Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367247
PNG
(US10226464, Compound 16)
PDB

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Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367248
PNG
(US10226464, Compound 17)
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Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367260
PNG
(US10226464, Compound 28)
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Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50062653
PNG
(3-[(2-Chloro-4-trifluoromethyl-pyrimidine-5-carbon...)
Show SMILES CCCCCCOC(=O)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C20H18ClF6N3O3/c1-2-3-4-5-6-33-17(32)11-7-12(19(22,23)24)9-13(8-11)29-16(31)14-10-28-18(21)30-15(14)20(25,26)27/h7-10H,2-6H2,1H3,(H,29,31)
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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 (NF-kB)


(Homo sapiens (Human))
BDBM50062663
PNG
(2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic...)
Show SMILES FC(F)(F)c1nc(Cl)ncc1C(=O)Nc1cc(Cl)nc(Cl)n1
Show InChI InChI=1S/C10H3Cl3F3N5O/c11-4-1-5(20-9(13)18-4)19-7(22)3-2-17-8(12)21-6(3)10(14,15)16/h1-2H,(H,18,19,20,22)
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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 (NF-kB)


(Homo sapiens (Human))
BDBM50062650
PNG
(2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic...)
Show SMILES FC(F)(F)c1nc(Cl)ncc1C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C12H4Cl4F3N3O/c13-6-1-4(2-7(14)8(6)15)21-10(23)5-3-20-11(16)22-9(5)12(17,18)19/h1-3H,(H,21,23)
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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
emsa


(Homo sapiens (Human))
BDBM367297
PNG
(US10226464, Compound 64)
PDB

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n/an/a<1.00E+3n/an/an/an/an/an/a



Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367253
PNG
(US10226464, Compound 21)
PDB

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Article
n/an/a<1.00E+3n/an/an/an/an/an/a



Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367299
PNG
(US10226464, Compound 66)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a<1.00E+3n/an/an/an/an/an/a



Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367300
PNG
(US10226464, Compound 67)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a<1.00E+3n/an/an/an/an/an/a



Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367301
PNG
(US10226464, Compound 68)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a<1.00E+3n/an/an/an/an/an/a



Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367302
PNG
(US10226464, Compound 69)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a<1.00E+3n/an/an/an/an/an/a



Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367303
PNG
(US10226464, Compound 70)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a<1.00E+3n/an/an/an/an/an/a



Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367304
PNG
(US10226464, Compound 71)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a<1.00E+3n/an/an/an/an/an/a



Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367305
PNG
(US10226464, Compound 72)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a<1.00E+3n/an/an/an/an/an/a



Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367306
PNG
(US10226464, Compound 73)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a<1.00E+3n/an/an/an/an/an/a



Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367307
PNG
(US10226464, Compound 74)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a<1.00E+3n/an/an/an/an/an/a



Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367308
PNG
(US10226464, Compound 75)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a<1.00E+3n/an/an/an/an/an/a



Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367254
PNG
(US10226464, Compound 22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a<1.00E+3n/an/an/an/an/an/a



Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367255
PNG
(US10226464, Compound 23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a<1.00E+3n/an/an/an/an/an/a



Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
emsa


(Homo sapiens (Human))
BDBM367256
PNG
(US10226464, Compound 24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a<1.00E+3n/an/an/an/an/an/a



Amgen





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


Article DOI: 10.1016/j.bmcl.2007.07.045
More data for this
Ligand-Target Pair
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