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Compile Data Set for Download or QSAR

Found 325 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM446477
PNG
((R)-1-((7-cyano-2-(3′-(2-(difluoromethyl)-7-...)
Show SMILES Cc1c(Nc2nc(nc3cc(CN4CC[C@@](C)(O)C4)cnc23)C(F)F)cccc1-c1cccc(-c2nc3cc(CN4CCC(CC4)C(O)=O)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C43H42F2N8O4/c1-24-30(6-4-8-32(24)41-50-35-17-26(16-29(19-46)37(35)57-41)21-52-13-10-28(11-14-52)42(54)55)31-7-5-9-33(25(31)2)48-39-36-34(49-40(51-39)38(44)45)18-27(20-47-36)22-53-15-12-43(3,56)23-53/h4-9,16-18,20,28,38,56H,10-15,21-23H2,1-3H3,(H,54,55)(H,48,49,51)/t43-/m1/s1
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Incyte Corporation

US Patent


Assay Description
PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...


US Patent US10669271 (2020)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM446478
PNG
((S)-1-((7-cyano-2-(3′-(2-(difluoromethyl)-7-...)
Show SMILES Cc1c(Nc2nc(nc3cc(CN4CC[C@](C)(O)C4)cnc23)C(F)F)cccc1-c1cccc(-c2nc3cc(CN4CCC(CC4)C(O)=O)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C43H42F2N8O4/c1-24-30(6-4-8-32(24)41-50-35-17-26(16-29(19-46)37(35)57-41)21-52-13-10-28(11-14-52)42(54)55)31-7-5-9-33(25(31)2)48-39-36-34(49-40(51-39)38(44)45)18-27(20-47-36)22-53-15-12-43(3,56)23-53/h4-9,16-18,20,28,38,56H,10-15,21-23H2,1-3H3,(H,54,55)(H,48,49,51)/t43-/m0/s1
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Incyte Corporation

US Patent


Assay Description
PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...


US Patent US10669271 (2020)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM446453
PNG
((R)-1-((7-cyano-2-(3′-(7-(((R)-3-hydroxypyrr...)
Show SMILES Cc1nc(Nc2cccc(c2C)-c2cccc(-c3nc4cc(CN5CC[C@H](C5)C(O)=O)cc(C#N)c4o3)c2C)c2ncc(CN3CC[C@@H](O)C3)cc2n1
Show InChI InChI=1S/C41H40N8O4/c1-23-31(6-4-8-33(23)40-47-36-15-26(14-29(17-42)38(36)53-40)19-48-12-10-28(21-48)41(51)52)32-7-5-9-34(24(32)2)46-39-37-35(44-25(3)45-39)16-27(18-43-37)20-49-13-11-30(50)22-49/h4-9,14-16,18,28,30,50H,10-13,19-22H2,1-3H3,(H,51,52)(H,44,45,46)/t28-,30-/m1/s1
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Incyte Corporation

US Patent


Assay Description
PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...


US Patent US10669271 (2020)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM446473
PNG
((R)-1-((7-cyano-2-(3′-(2-(difluoromethyl)-7-...)
Show SMILES CNC(=O)C1CCN(Cc2cc(C#N)c3oc(nc3c2)-c2cccc(c2C)-c2cccc(Nc3nc(nc4cc(CN5CC[C@@H](O)C5)cnc34)C(F)F)c2C)CC1
Show InChI InChI=1S/C43H43F2N9O3/c1-24-31(6-4-8-33(24)43-51-36-17-26(16-29(19-46)38(36)57-43)21-53-13-10-28(11-14-53)42(56)47-3)32-7-5-9-34(25(32)2)49-40-37-35(50-41(52-40)39(44)45)18-27(20-48-37)22-54-15-12-30(55)23-54/h4-9,16-18,20,28,30,39,55H,10-15,21-23H2,1-3H3,(H,47,56)(H,49,50,52)/t30-/m1/s1
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US Patent


Assay Description
PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...


US Patent US10669271 (2020)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM446463
PNG
((R)-1-((7-cyano-2-(3′-(2-(difluoromethyl)-7-...)
Show SMILES Cc1c(Nc2nc(nc3cc(CN4CC[C@@H](O)C4)cnc23)C(F)F)cccc1-c1cccc(-c2nc3cc(CN4CCC(CC4)C(O)=O)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C42H40F2N8O4/c1-23-30(5-3-7-32(23)41-49-35-16-25(15-28(18-45)37(35)56-41)20-51-12-9-27(10-13-51)42(54)55)31-6-4-8-33(24(31)2)47-39-36-34(48-40(50-39)38(43)44)17-26(19-46-36)21-52-14-11-29(53)22-52/h3-8,15-17,19,27,29,38,53H,9-14,20-22H2,1-2H3,(H,54,55)(H,47,48,50)/t29-/m1/s1
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Incyte Corporation

US Patent


Assay Description
PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...


US Patent US10669271 (2020)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM446470
PNG
((S)-1-((7-cyano-2-(3′-(2-(difluoromethyl)-7-...)
Show SMILES Cc1c(Nc2nc(nc3cc(CN4CC[C@@H](O)C4)cnc23)C(F)F)cccc1-c1cccc(-c2nc3cc(CN4CC[C@@](C)(C4)C(O)=O)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C42H40F2N8O4/c1-23-29(6-4-8-31(23)40-49-34-15-25(14-27(17-45)36(34)56-40)19-52-13-11-42(3,22-52)41(54)55)30-7-5-9-32(24(30)2)47-38-35-33(48-39(50-38)37(43)44)16-26(18-46-35)20-51-12-10-28(53)21-51/h4-9,14-16,18,28,37,53H,10-13,19-22H2,1-3H3,(H,54,55)(H,47,48,50)/t28-,42+/m1/s1
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Incyte Corporation

US Patent


Assay Description
PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...


US Patent US10669271 (2020)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM446481
PNG
((R)-1-((7-cyano-2-(3′-(6-(difluoromethyl)-3-...)
Show SMILES Cc1c(Nc2nc(cc3cc(CN4CC[C@@H](O)C4)cnc23)C(F)F)cccc1-c1cccc(-c2nc3cc(CN4CC[C@](C)(C4)C(O)=O)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C43H41F2N7O4/c1-24-31(6-4-8-33(24)41-50-35-16-26(14-29(18-46)38(35)56-41)20-52-13-11-43(3,23-52)42(54)55)32-7-5-9-34(25(32)2)48-40-37-28(17-36(49-40)39(44)45)15-27(19-47-37)21-51-12-10-30(53)22-51/h4-9,14-17,19,30,39,53H,10-13,20-23H2,1-3H3,(H,48,49)(H,54,55)/t30-,43-/m1/s1
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US Patent


Assay Description
PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...


US Patent US10669271 (2020)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM446476
PNG
((R)-1-((2-(3′-(2-amino-7-((3-hydroxypyrrolid...)
Show SMILES Cc1c(Nc2nc(N)nc3cc(CN4CC[C@@H](O)C4)cnc23)cccc1-c1cccc(-c2nc3cc(CN4CCC(CC4)C(O)=O)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C41H41N9O4/c1-23-30(5-3-7-32(23)39-46-35-16-25(15-28(18-42)37(35)54-39)20-49-12-9-27(10-13-49)40(52)53)31-6-4-8-33(24(31)2)45-38-36-34(47-41(43)48-38)17-26(19-44-36)21-50-14-11-29(51)22-50/h3-8,15-17,19,27,29,51H,9-14,20-22H2,1-2H3,(H,52,53)(H3,43,45,47,48)/t29-/m1/s1
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Incyte Corporation

US Patent


Assay Description
PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...


US Patent US10669271 (2020)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM446479
PNG
((R)-1-((7-cyano-2-(3′-(2-(hydroxymethyl)-7-(...)
Show SMILES Cc1c(Nc2nc(CO)nc3cc(CN4CC[C@@H](O)C4)cnc23)cccc1-c1cccc(-c2nc3cc(CN4CCC(CC4)C(O)=O)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C42H42N8O5/c1-24-31(5-3-7-33(24)41-47-36-16-26(15-29(18-43)39(36)55-41)20-49-12-9-28(10-13-49)42(53)54)32-6-4-8-34(25(32)2)46-40-38-35(45-37(23-51)48-40)17-27(19-44-38)21-50-14-11-30(52)22-50/h3-8,15-17,19,28,30,51-52H,9-14,20-23H2,1-2H3,(H,53,54)(H,45,46,48)/t30-/m1/s1
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Incyte Corporation

US Patent


Assay Description
PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...


US Patent US10669271 (2020)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM446448
PNG
((R)-1-((7-cyano-2-(3′-(7-((3-hydroxypyrrolid...)
Show SMILES Cc1nc(Nc2cccc(c2C)-c2cccc(-c3nc4cc(CN5CCC(CC5)C(O)=O)cc(C#N)c4o3)c2C)c2ncc(CN3CC[C@@H](O)C3)cc2n1
Show InChI InChI=1S/C42H42N8O4/c1-24-32(6-4-8-34(24)41-48-37-17-27(16-30(19-43)39(37)54-41)21-49-13-10-29(11-14-49)42(52)53)33-7-5-9-35(25(33)2)47-40-38-36(45-26(3)46-40)18-28(20-44-38)22-50-15-12-31(51)23-50/h4-9,16-18,20,29,31,51H,10-15,21-23H2,1-3H3,(H,52,53)(H,45,46,47)/t31-/m1/s1
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Incyte Corporation

US Patent


Assay Description
PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...


US Patent US10669271 (2020)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM446449
PNG
((R)-1-((7-cyano-2-(3′-(7-((3-hydroxy-3-methy...)
Show SMILES Cc1nc(Nc2cccc(c2C)-c2cccc(-c3nc4cc(CN5CCC(CC5)C(O)=O)cc(C#N)c4o3)c2C)c2ncc(CN3CC[C@@](C)(O)C3)cc2n1
Show InChI InChI=1S/C43H44N8O4/c1-25-32(7-5-9-34(25)41-49-37-18-28(17-31(20-44)39(37)55-41)22-50-14-11-30(12-15-50)42(52)53)33-8-6-10-35(26(33)2)48-40-38-36(46-27(3)47-40)19-29(21-45-38)23-51-16-13-43(4,54)24-51/h5-10,17-19,21,30,54H,11-16,22-24H2,1-4H3,(H,52,53)(H,46,47,48)/t43-/m1/s1
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Incyte Corporation

US Patent


Assay Description
PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...


US Patent US10669271 (2020)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM446450
PNG
((S)-1-((7-cyano-2-(3′-(7-((3-hydroxy-3-methy...)
Show SMILES Cc1nc(Nc2cccc(c2C)-c2cccc(-c3nc4cc(CN5CCC(CC5)C(O)=O)cc(C#N)c4o3)c2C)c2ncc(CN3CC[C@](C)(O)C3)cc2n1
Show InChI InChI=1S/C43H44N8O4/c1-25-32(7-5-9-34(25)41-49-37-18-28(17-31(20-44)39(37)55-41)22-50-14-11-30(12-15-50)42(52)53)33-8-6-10-35(26(33)2)48-40-38-36(46-27(3)47-40)19-29(21-45-38)23-51-16-13-43(4,54)24-51/h5-10,17-19,21,30,54H,11-16,22-24H2,1-4H3,(H,52,53)(H,46,47,48)/t43-/m0/s1
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Incyte Corporation

US Patent


Assay Description
PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...


US Patent US10669271 (2020)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM446451
PNG
((S)-1-((7-cyano-2-(3′-(7-((1-hydroxypropan-2...)
Show SMILES C[C@@H](CO)NCc1cnc2c(Nc3cccc(c3C)-c3cccc(-c4nc5cc(CN6CCC(CC6)C(O)=O)cc(C#N)c5o4)c3C)nc(C)nc2c1
Show InChI InChI=1S/C41H42N8O4/c1-23(22-50)43-19-28-17-35-37(44-20-28)39(46-26(4)45-35)47-34-10-6-8-32(25(34)3)31-7-5-9-33(24(31)2)40-48-36-16-27(15-30(18-42)38(36)53-40)21-49-13-11-29(12-14-49)41(51)52/h5-10,15-17,20,23,29,43,50H,11-14,19,21-22H2,1-4H3,(H,51,52)(H,45,46,47)/t23-/m0/s1
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Incyte Corporation

US Patent


Assay Description
PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...


US Patent US10669271 (2020)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM446452
PNG
((S)-1-((7-cyano-2-(3′-(7-((2-hydroxypropylam...)
Show SMILES C[C@H](O)CNCc1cnc2c(Nc3cccc(c3C)-c3cccc(-c4nc5cc(CN6CCC(CC6)C(O)=O)cc(C#N)c5o4)c3C)nc(C)nc2c1
Show InChI InChI=1S/C41H42N8O4/c1-23(50)19-43-20-28-17-35-37(44-21-28)39(46-26(4)45-35)47-34-10-6-8-32(25(34)3)31-7-5-9-33(24(31)2)40-48-36-16-27(15-30(18-42)38(36)53-40)22-49-13-11-29(12-14-49)41(51)52/h5-10,15-17,21,23,29,43,50H,11-14,19-20,22H2,1-4H3,(H,51,52)(H,45,46,47)/t23-/m0/s1
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Incyte Corporation

US Patent


Assay Description
PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...


US Patent US10669271 (2020)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM446453
PNG
((R)-1-((7-cyano-2-(3′-(7-(((R)-3-hydroxypyrr...)
Show SMILES Cc1nc(Nc2cccc(c2C)-c2cccc(-c3nc4cc(CN5CC[C@H](C5)C(O)=O)cc(C#N)c4o3)c2C)c2ncc(CN3CC[C@@H](O)C3)cc2n1
Show InChI InChI=1S/C41H40N8O4/c1-23-31(6-4-8-33(23)40-47-36-15-26(14-29(17-42)38(36)53-40)19-48-12-10-28(21-48)41(51)52)32-7-5-9-34(24(32)2)46-39-37-35(44-25(3)45-39)16-27(18-43-37)20-49-13-11-30(50)22-49/h4-9,14-16,18,28,30,50H,10-13,19-22H2,1-3H3,(H,51,52)(H,44,45,46)/t28-,30-/m1/s1
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Incyte Corporation

US Patent


Assay Description
PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...


US Patent US10669271 (2020)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM446454
PNG
((R)-1-((7-cyano-2-(3′-(7-(((R)-3-hydroxy-3-m...)
Show SMILES Cc1nc(Nc2cccc(c2C)-c2cccc(-c3nc4cc(CN5CC[C@H](C5)C(O)=O)cc(C#N)c4o3)c2C)c2ncc(CN3CC[C@@](C)(O)C3)cc2n1
Show InChI InChI=1S/C42H42N8O4/c1-24-31(7-5-9-33(24)40-48-36-16-27(15-30(18-43)38(36)54-40)20-49-13-11-29(22-49)41(51)52)32-8-6-10-34(25(32)2)47-39-37-35(45-26(3)46-39)17-28(19-44-37)21-50-14-12-42(4,53)23-50/h5-10,15-17,19,29,53H,11-14,20-23H2,1-4H3,(H,51,52)(H,45,46,47)/t29-,42-/m1/s1
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Incyte Corporation

US Patent


Assay Description
PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...


US Patent US10669271 (2020)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM446455
PNG
((R)-1-((7-cyano-2-(3′-(7-(((S)-3-hydroxy-3-m...)
Show SMILES Cc1nc(Nc2cccc(c2C)-c2cccc(-c3nc4cc(CN5CC[C@H](C5)C(O)=O)cc(C#N)c4o3)c2C)c2ncc(CN3CC[C@](C)(O)C3)cc2n1
Show InChI InChI=1S/C42H42N8O4/c1-24-31(7-5-9-33(24)40-48-36-16-27(15-30(18-43)38(36)54-40)20-49-13-11-29(22-49)41(51)52)32-8-6-10-34(25(32)2)47-39-37-35(45-26(3)46-39)17-28(19-44-37)21-50-14-12-42(4,53)23-50/h5-10,15-17,19,29,53H,11-14,20-23H2,1-4H3,(H,51,52)(H,45,46,47)/t29-,42+/m1/s1
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Incyte Corporation

US Patent


Assay Description
PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...


US Patent US10669271 (2020)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM446456
PNG
((R)-1-((7-cyano-2-(3′-(7-(((S)-1-hydroxyprop...)
Show SMILES C[C@@H](CO)NCc1cnc2c(Nc3cccc(c3C)-c3cccc(-c4nc5cc(CN6CC[C@H](C6)C(O)=O)cc(C#N)c5o4)c3C)nc(C)nc2c1
Show InChI InChI=1S/C40H40N8O4/c1-22(21-49)42-17-27-15-34-36(43-18-27)38(45-25(4)44-34)46-33-10-6-8-31(24(33)3)30-7-5-9-32(23(30)2)39-47-35-14-26(13-29(16-41)37(35)52-39)19-48-12-11-28(20-48)40(50)51/h5-10,13-15,18,22,28,42,49H,11-12,17,19-21H2,1-4H3,(H,50,51)(H,44,45,46)/t22-,28+/m0/s1
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Incyte Corporation

US Patent


Assay Description
PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...


US Patent US10669271 (2020)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM446457
PNG
((R)-1-((7-cyano-2-(3′-(7-(((S)-2-hydroxyprop...)
Show SMILES C[C@H](O)CNCc1cnc2c(Nc3cccc(c3C)-c3cccc(-c4nc5cc(CN6CC[C@H](C6)C(O)=O)cc(C#N)c5o4)c3C)nc(C)nc2c1
Show InChI InChI=1S/C40H40N8O4/c1-22(49)17-42-18-27-15-34-36(43-19-27)38(45-25(4)44-34)46-33-10-6-8-31(24(33)3)30-7-5-9-32(23(30)2)39-47-35-14-26(13-29(16-41)37(35)52-39)20-48-12-11-28(21-48)40(50)51/h5-10,13-15,19,22,28,42,49H,11-12,17-18,20-21H2,1-4H3,(H,50,51)(H,44,45,46)/t22-,28+/m0/s1
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Incyte Corporation

US Patent


Assay Description
PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...


US Patent US10669271 (2020)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM446458
PNG
((R)-1-((7-cyano-2-(3′-(7-(((R)-3-hydroxypyrr...)
Show SMILES Cc1nc(Nc2cccc(c2C)-c2cccc(-c3nc4cc(CN5CC[C@](C)(C5)C(O)=O)cc(C#N)c4o3)c2C)c2ncc(CN3CC[C@@H](O)C3)cc2n1
Show InChI InChI=1S/C42H42N8O4/c1-24-31(7-5-9-33(24)40-48-36-16-27(15-29(18-43)38(36)54-40)20-50-14-12-42(4,23-50)41(52)53)32-8-6-10-34(25(32)2)47-39-37-35(45-26(3)46-39)17-28(19-44-37)21-49-13-11-30(51)22-49/h5-10,15-17,19,30,51H,11-14,20-23H2,1-4H3,(H,52,53)(H,45,46,47)/t30-,42-/m1/s1
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Incyte Corporation

US Patent


Assay Description
PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...


US Patent US10669271 (2020)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM446459
PNG
((R)-1-((7-cyano-2-(3′-(7-(((R)-3-hydroxy-3-m...)
Show SMILES Cc1nc(Nc2cccc(c2C)-c2cccc(-c3nc4cc(CN5CC[C@](C)(C5)C(O)=O)cc(C#N)c4o3)c2C)c2ncc(CN3CC[C@@](C)(O)C3)cc2n1
Show InChI InChI=1S/C43H44N8O4/c1-25-31(8-6-10-33(25)40-49-36-17-28(16-30(19-44)38(36)55-40)21-50-14-12-42(4,23-50)41(52)53)32-9-7-11-34(26(32)2)48-39-37-35(46-27(3)47-39)18-29(20-45-37)22-51-15-13-43(5,54)24-51/h6-11,16-18,20,54H,12-15,21-24H2,1-5H3,(H,52,53)(H,46,47,48)/t42-,43-/m1/s1
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Incyte Corporation

US Patent


Assay Description
PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...


US Patent US10669271 (2020)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM446460
PNG
((R)-1-((7-cyano-2-(3′-(7-(((S)-3-hydroxy-3-m...)
Show SMILES Cc1nc(Nc2cccc(c2C)-c2cccc(-c3nc4cc(CN5CC[C@](C)(C5)C(O)=O)cc(C#N)c4o3)c2C)c2ncc(CN3CC[C@](C)(O)C3)cc2n1
Show InChI InChI=1S/C43H44N8O4/c1-25-31(8-6-10-33(25)40-49-36-17-28(16-30(19-44)38(36)55-40)21-50-14-12-42(4,23-50)41(52)53)32-9-7-11-34(26(32)2)48-39-37-35(46-27(3)47-39)18-29(20-45-37)22-51-15-13-43(5,54)24-51/h6-11,16-18,20,54H,12-15,21-24H2,1-5H3,(H,52,53)(H,46,47,48)/t42-,43+/m1/s1
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Incyte Corporation

US Patent


Assay Description
PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...


US Patent US10669271 (2020)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM446461
PNG
((R)-1-((7-cyano-2-(3′-(7-(((S)-1-hydroxyprop...)
Show SMILES C[C@@H](CO)NCc1cnc2c(Nc3cccc(c3C)-c3cccc(-c4nc5cc(CN6CC[C@](C)(C6)C(O)=O)cc(C#N)c5o4)c3C)nc(C)nc2c1
Show InChI InChI=1S/C41H42N8O4/c1-23(21-50)43-18-28-16-34-36(44-19-28)38(46-26(4)45-34)47-33-11-7-9-31(25(33)3)30-8-6-10-32(24(30)2)39-48-35-15-27(14-29(17-42)37(35)53-39)20-49-13-12-41(5,22-49)40(51)52/h6-11,14-16,19,23,43,50H,12-13,18,20-22H2,1-5H3,(H,51,52)(H,45,46,47)/t23-,41+/m0/s1
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Incyte Corporation

US Patent


Assay Description
PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...


US Patent US10669271 (2020)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM446462
PNG
((R)-1-((7-cyano-2-(3′-(7-(((S)-2-hydroxyprop...)
Show SMILES C[C@H](O)CNCc1cnc2c(Nc3cccc(c3C)-c3cccc(-c4nc5cc(CN6CC[C@](C)(C6)C(O)=O)cc(C#N)c5o4)c3C)nc(C)nc2c1
Show InChI InChI=1S/C41H42N8O4/c1-23(50)18-43-19-28-16-34-36(44-20-28)38(46-26(4)45-34)47-33-11-7-9-31(25(33)3)30-8-6-10-32(24(30)2)39-48-35-15-27(14-29(17-42)37(35)53-39)21-49-13-12-41(5,22-49)40(51)52/h6-11,14-16,20,23,43,50H,12-13,18-19,21-22H2,1-5H3,(H,51,52)(H,45,46,47)/t23-,41+/m0/s1
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Incyte Corporation

US Patent


Assay Description
PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...


US Patent US10669271 (2020)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM446464
PNG
((R)-1-((7-cyano-2-(3′-(2-(difluoromethyl)-7-...)
Show SMILES Cc1c(Nc2nc(nc3cc(CN4CC[C@@H](O)C4)cnc23)C(F)F)cccc1-c1cccc(-c2nc3cc(CN4CC[C@H](C4)C(O)=O)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C41H38F2N8O4/c1-22-29(5-3-7-31(22)40-48-34-14-24(13-27(16-44)36(34)55-40)18-50-11-9-26(20-50)41(53)54)30-6-4-8-32(23(30)2)46-38-35-33(47-39(49-38)37(42)43)15-25(17-45-35)19-51-12-10-28(52)21-51/h3-8,13-15,17,26,28,37,52H,9-12,18-21H2,1-2H3,(H,53,54)(H,46,47,49)/t26-,28-/m1/s1
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Incyte Corporation

US Patent


Assay Description
PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...


US Patent US10669271 (2020)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM446465
PNG
((R)-1-((7-cyano-2-(3′-(2-(difluoromethyl)-7-...)
Show SMILES Cc1c(Nc2nc(nc3cc(CN4CC[C@@H](O)C4)cnc23)C(F)F)cccc1-c1cccc(-c2nc3cc(CN4CC[C@](C)(C4)C(O)=O)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C42H40F2N8O4/c1-23-29(6-4-8-31(23)40-49-34-15-25(14-27(17-45)36(34)56-40)19-52-13-11-42(3,22-52)41(54)55)30-7-5-9-32(24(30)2)47-38-35-33(48-39(50-38)37(43)44)16-26(18-46-35)20-51-12-10-28(53)21-51/h4-9,14-16,18,28,37,53H,10-13,19-22H2,1-3H3,(H,54,55)(H,47,48,50)/t28-,42-/m1/s1
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Incyte Corporation

US Patent


Assay Description
PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...


US Patent US10669271 (2020)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM446463
PNG
((R)-1-((7-cyano-2-(3′-(2-(difluoromethyl)-7-...)
Show SMILES Cc1c(Nc2nc(nc3cc(CN4CC[C@@H](O)C4)cnc23)C(F)F)cccc1-c1cccc(-c2nc3cc(CN4CCC(CC4)C(O)=O)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C42H40F2N8O4/c1-23-30(5-3-7-32(23)41-49-35-16-25(15-28(18-45)37(35)56-41)20-51-12-9-27(10-13-51)42(54)55)31-6-4-8-33(24(31)2)47-39-36-34(48-40(50-39)38(43)44)17-26(19-46-36)21-52-14-11-29(53)22-52/h3-8,15-17,19,27,29,38,53H,9-14,20-22H2,1-2H3,(H,54,55)(H,47,48,50)/t29-/m1/s1
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Incyte Corporation

US Patent


Assay Description
PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...


US Patent US10669271 (2020)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM446464
PNG
((R)-1-((7-cyano-2-(3′-(2-(difluoromethyl)-7-...)
Show SMILES Cc1c(Nc2nc(nc3cc(CN4CC[C@@H](O)C4)cnc23)C(F)F)cccc1-c1cccc(-c2nc3cc(CN4CC[C@H](C4)C(O)=O)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C41H38F2N8O4/c1-22-29(5-3-7-31(22)40-48-34-14-24(13-27(16-44)36(34)55-40)18-50-11-9-26(20-50)41(53)54)30-6-4-8-32(23(30)2)46-38-35-33(47-39(49-38)37(42)43)15-25(17-45-35)19-51-12-10-28(52)21-51/h3-8,13-15,17,26,28,37,52H,9-12,18-21H2,1-2H3,(H,53,54)(H,46,47,49)/t26-,28-/m1/s1
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Incyte Corporation

US Patent


Assay Description
PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...


US Patent US10669271 (2020)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM446465
PNG
((R)-1-((7-cyano-2-(3′-(2-(difluoromethyl)-7-...)
Show SMILES Cc1c(Nc2nc(nc3cc(CN4CC[C@@H](O)C4)cnc23)C(F)F)cccc1-c1cccc(-c2nc3cc(CN4CC[C@](C)(C4)C(O)=O)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C42H40F2N8O4/c1-23-29(6-4-8-31(23)40-49-34-15-25(14-27(17-45)36(34)56-40)19-52-13-11-42(3,22-52)41(54)55)30-7-5-9-32(24(30)2)47-38-35-33(48-39(50-38)37(43)44)16-26(18-46-35)20-51-12-10-28(53)21-51/h4-9,14-16,18,28,37,53H,10-13,19-22H2,1-3H3,(H,54,55)(H,47,48,50)/t28-,42-/m1/s1
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Incyte Corporation

US Patent


Assay Description
PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...


US Patent US10669271 (2020)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM446469
PNG
((S)-1-((7-cyano-2-(3′-(2-(difluoromethyl)-7-...)
Show SMILES Cc1c(Nc2nc(nc3cc(CN4CC[C@@H](O)C4)cnc23)C(F)F)cccc1-c1cccc(-c2nc3cc(CN4CC[C@@H](C4)C(O)=O)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C41H38F2N8O4/c1-22-29(5-3-7-31(22)40-48-34-14-24(13-27(16-44)36(34)55-40)18-50-11-9-26(20-50)41(53)54)30-6-4-8-32(23(30)2)46-38-35-33(47-39(49-38)37(42)43)15-25(17-45-35)19-51-12-10-28(52)21-51/h3-8,13-15,17,26,28,37,52H,9-12,18-21H2,1-2H3,(H,53,54)(H,46,47,49)/t26-,28+/m0/s1
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Incyte Corporation

US Patent


Assay Description
PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...


US Patent US10669271 (2020)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM446471
PNG
((R)-1-((7-cyano-2-(3′-(2-(difluoromethyl)-7-...)
Show SMILES Cc1c(Nc2nc(nc3cc(CN4CC[C@@H](O)C4)cnc23)C(F)F)cccc1-c1cccc(-c2nc3cc(CN4CCC(C)(CC4)C(O)=O)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C43H42F2N8O4/c1-24-30(6-4-8-32(24)41-50-35-17-26(16-28(19-46)37(35)57-41)21-52-14-11-43(3,12-15-52)42(55)56)31-7-5-9-33(25(31)2)48-39-36-34(49-40(51-39)38(44)45)18-27(20-47-36)22-53-13-10-29(54)23-53/h4-9,16-18,20,29,38,54H,10-15,21-23H2,1-3H3,(H,55,56)(H,48,49,51)/t29-/m1/s1
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n/an/an/an/a 55n/an/an/an/a



Incyte Corporation

US Patent


Assay Description
PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...


US Patent US10669271 (2020)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM446472
PNG
((R)-1-((7-cyano-2-(3′-(2-(difluoromethyl)-7-...)
Show SMILES CN(C)C(=O)C1CCN(Cc2cc(C#N)c3oc(nc3c2)-c2cccc(c2C)-c2cccc(Nc3nc(nc4cc(CN5CC[C@@H](O)C5)cnc34)C(F)F)c2C)CC1
Show InChI InChI=1S/C44H45F2N9O3/c1-25-32(7-5-9-34(25)43-51-37-18-27(17-30(20-47)39(37)58-43)22-54-14-11-29(12-15-54)44(57)53(3)4)33-8-6-10-35(26(33)2)49-41-38-36(50-42(52-41)40(45)46)19-28(21-48-38)23-55-16-13-31(56)24-55/h5-10,17-19,21,29,31,40,56H,11-16,22-24H2,1-4H3,(H,49,50,52)/t31-/m1/s1
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n/an/an/an/a 55n/an/an/an/a



Incyte Corporation

US Patent


Assay Description
PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...


US Patent US10669271 (2020)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM446474
PNG
((R)-3-(1-((7-cyano-2-(3′-(2-(difluoromethyl)...)
Show SMILES Cc1c(Nc2nc(nc3cc(CN4CC[C@@H](O)C4)cnc23)C(F)F)cccc1-c1cccc(-c2nc3cc(CN4CCC(CC4)C(=O)NCCC(O)=O)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C45H45F2N9O5/c1-25-32(33-6-4-8-35(26(33)2)51-42-39-36(52-43(54-42)41(46)47)19-28(21-50-39)23-56-16-12-31(57)24-56)5-3-7-34(25)45-53-37-18-27(17-30(20-48)40(37)61-45)22-55-14-10-29(11-15-55)44(60)49-13-9-38(58)59/h3-8,17-19,21,29,31,41,57H,9-16,22-24H2,1-2H3,(H,49,60)(H,58,59)(H,51,52,54)/t31-/m1/s1
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n/an/an/an/a 55n/an/an/an/a



Incyte Corporation

US Patent


Assay Description
PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...


US Patent US10669271 (2020)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM446475
PNG
((R)-1-((7-cyano-2-(3′-(2-cyclopropyl-7-(((R)...)
Show SMILES Cc1c(Nc2nc(nc3cc(CN4CC[C@@H](O)C4)cnc23)C2CC2)cccc1-c1cccc(-c2nc3cc(CN4CC[C@H](C4)C(O)=O)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C43H42N8O4/c1-24-32(5-3-7-34(24)42-48-37-16-26(15-30(18-44)39(37)55-42)20-50-13-11-29(22-50)43(53)54)33-6-4-8-35(25(33)2)46-41-38-36(47-40(49-41)28-9-10-28)17-27(19-45-38)21-51-14-12-31(52)23-51/h3-8,15-17,19,28-29,31,52H,9-14,20-23H2,1-2H3,(H,53,54)(H,46,47,49)/t29-,31-/m1/s1
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n/an/an/an/a 55n/an/an/an/a



Incyte Corporation

US Patent


Assay Description
PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...


US Patent US10669271 (2020)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50427539
PNG
(CHEMBL2322278)
Show SMILES Cc1c(CC(=O)Nc2ccc(cc2)C(O)=O)c(=O)oc2cc3oc4CCCCc4c3cc12
Show InChI InChI=1S/C25H21NO6/c1-13-17-10-19-16-4-2-3-5-20(16)31-22(19)12-21(17)32-25(30)18(13)11-23(27)26-15-8-6-14(7-9-15)24(28)29/h6-10,12H,2-5,11H2,1H3,(H,26,27)(H,28,29)
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n/an/an/an/a 1.00E+4n/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of human NF-kappaB p50/DNA interaction using 32P-labeled oligonucleotides as substrate preincubated for 20 mins before substrate addition ...


J Med Chem 56: 1830-42 (2013)


Article DOI: 10.1021/jm3009647
BindingDB Entry DOI: 10.7270/Q2TH8P10
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50427536
PNG
(CHEMBL2322281)
Show SMILES Cc1c(CCC(=O)Nc2ccc(cc2)C(O)=O)c(=O)oc2cc3oc4CCCCc4c3cc12
Show InChI InChI=1S/C26H23NO6/c1-14-17(10-11-24(28)27-16-8-6-15(7-9-16)25(29)30)26(31)33-22-13-23-20(12-19(14)22)18-4-2-3-5-21(18)32-23/h6-9,12-13H,2-5,10-11H2,1H3,(H,27,28)(H,29,30)
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n/an/an/an/a 1.00E+4n/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of human NF-kappaB p50/DNA interaction using 32P-labeled oligonucleotides as substrate preincubated for 20 mins before substrate addition ...


J Med Chem 56: 1830-42 (2013)


Article DOI: 10.1021/jm3009647
BindingDB Entry DOI: 10.7270/Q2TH8P10
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50427507
PNG
(CHEMBL2322546)
Show SMILES Cc1c(CC(=O)Nc2cccc(c2)C(O)=O)c(=O)oc2cc3occ(c3cc12)C(C)(C)C
Show InChI InChI=1S/C25H23NO6/c1-13-16-9-18-19(25(2,3)4)12-31-20(18)11-21(16)32-24(30)17(13)10-22(27)26-15-7-5-6-14(8-15)23(28)29/h5-9,11-12H,10H2,1-4H3,(H,26,27)(H,28,29)
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n/an/an/an/a 1.00E+4n/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of human NF-kappaB p50/DNA interaction using 32P-labeled oligonucleotides as substrate preincubated for 20 mins before substrate addition ...


J Med Chem 56: 1830-42 (2013)


Article DOI: 10.1021/jm3009647
BindingDB Entry DOI: 10.7270/Q2TH8P10
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50331546
PNG
(2-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)benzenes...)
Show SMILES Oc1ccc2c(-c3ccccc3S(O)(=O)=O)c3ccc(=O)c(O)c3oc2c1O
Show InChI InChI=1S/C19H12O8S/c20-12-7-5-10-15(9-3-1-2-4-14(9)28(24,25)26)11-6-8-13(21)17(23)19(11)27-18(10)16(12)22/h1-8,20,22-23H,(H,24,25,26)
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n/an/an/an/a 3.00E+4n/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of human NF-kappaB p50/DNA interaction using 32P-labeled oligonucleotides as substrate preincubated for 20 mins before substrate addition ...


J Med Chem 56: 1830-42 (2013)


Article DOI: 10.1021/jm3009647
BindingDB Entry DOI: 10.7270/Q2TH8P10
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50427550
PNG
(CHEMBL2322267)
Show SMILES Cc1c(CCC(=O)Nc2ccc(cc2)C(O)=O)c(=O)oc2c(C)c3occ(c3cc12)C(C)(C)C
Show InChI InChI=1S/C27H27NO6/c1-14-18(10-11-22(29)28-17-8-6-16(7-9-17)25(30)31)26(32)34-24-15(2)23-20(12-19(14)24)21(13-33-23)27(3,4)5/h6-9,12-13H,10-11H2,1-5H3,(H,28,29)(H,30,31)
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n/an/an/an/a 4.00E+4n/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of human NF-kappaB p50/DNA interaction using 32P-labeled oligonucleotides as substrate preincubated for 20 mins before substrate addition ...


J Med Chem 56: 1830-42 (2013)


Article DOI: 10.1021/jm3009647
BindingDB Entry DOI: 10.7270/Q2TH8P10
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50427547
PNG
(CHEMBL2322270)
Show SMILES Cc1oc2cc3oc(=O)c(CC(=O)Nc4ccc(cc4)C(O)=O)c(C)c3cc2c1C
Show InChI InChI=1S/C23H19NO6/c1-11-13(3)29-19-10-20-17(8-16(11)19)12(2)18(23(28)30-20)9-21(25)24-15-6-4-14(5-7-15)22(26)27/h4-8,10H,9H2,1-3H3,(H,24,25)(H,26,27)
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n/an/an/an/a 4.00E+4n/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of human NF-kappaB p50/DNA interaction using 32P-labeled oligonucleotides as substrate preincubated for 20 mins before substrate addition ...


J Med Chem 56: 1830-42 (2013)


Article DOI: 10.1021/jm3009647
BindingDB Entry DOI: 10.7270/Q2TH8P10
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50427513
PNG
(PYROCATECHOL VIOLET)
Show SMILES Oc1ccc(cc1O)C(=C1CC(=O)C(=O)C=C1)c1ccccc1S(O)(=O)=O
Show InChI InChI=1S/C19H14O7S/c20-14-7-5-11(9-16(14)22)19(12-6-8-15(21)17(23)10-12)13-3-1-2-4-18(13)27(24,25)26/h1-9,20,22H,10H2,(H,24,25,26)
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n/an/an/an/a 5.00E+4n/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of human NF-kappaB p50/DNA interaction using 32P-labeled oligonucleotides as substrate preincubated for 20 mins before substrate addition ...


J Med Chem 56: 1830-42 (2013)


Article DOI: 10.1021/jm3009647
BindingDB Entry DOI: 10.7270/Q2TH8P10
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50427512
PNG
(AURIN | CI-43800 | Corallin | Rosolic acid | Rosol...)
Show SMILES Oc1ccc(cc1)C(=C1C=CC(=O)C=C1)c1ccc(O)cc1
Show InChI InChI=1S/C19H14O3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20-21H
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n/an/an/an/a 5.00E+4n/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of human NF-kappaB p50/DNA interaction using 32P-labeled oligonucleotides as substrate preincubated for 20 mins before substrate addition ...


J Med Chem 56: 1830-42 (2013)


Article DOI: 10.1021/jm3009647
BindingDB Entry DOI: 10.7270/Q2TH8P10
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50427494
PNG
(CHEMBL2322558)
Show SMILES Cc1c(CCC(=O)NC(Cc2ccccc2)C(O)=O)c(=O)oc2c(C)c3occ(c3cc12)C(C)(C)C
Show InChI InChI=1S/C29H31NO6/c1-16-19(11-12-24(31)30-23(27(32)33)13-18-9-7-6-8-10-18)28(34)36-26-17(2)25-21(14-20(16)26)22(15-35-25)29(3,4)5/h6-10,14-15,23H,11-13H2,1-5H3,(H,30,31)(H,32,33)
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n/an/an/an/a 6.00E+4n/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of human NF-kappaB p50/DNA interaction using 32P-labeled oligonucleotides as substrate preincubated for 20 mins before substrate addition ...


J Med Chem 56: 1830-42 (2013)


Article DOI: 10.1021/jm3009647
BindingDB Entry DOI: 10.7270/Q2TH8P10
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50427503
PNG
(CHEMBL2322550)
Show SMILES Cc1c(CCC(=O)Nc2ccccc2C(O)=O)c(=O)oc2cc3occ(c3cc12)C(C)(C)C
Show InChI InChI=1S/C26H25NO6/c1-14-15(9-10-23(28)27-20-8-6-5-7-16(20)24(29)30)25(31)33-22-12-21-18(11-17(14)22)19(13-32-21)26(2,3)4/h5-8,11-13H,9-10H2,1-4H3,(H,27,28)(H,29,30)
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n/an/an/an/a 6.00E+4n/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of human NF-kappaB p50/DNA interaction using 32P-labeled oligonucleotides as substrate preincubated for 20 mins before substrate addition ...


J Med Chem 56: 1830-42 (2013)


Article DOI: 10.1021/jm3009647
BindingDB Entry DOI: 10.7270/Q2TH8P10
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50427502
PNG
(CHEMBL2321884)
Show SMILES Cc1c(CCC(=O)Nc2cccc(c2)C(O)=O)c(=O)oc2cc3occ(c3cc12)C(C)(C)C
Show InChI InChI=1S/C26H25NO6/c1-14-17(8-9-23(28)27-16-7-5-6-15(10-16)24(29)30)25(31)33-22-12-21-19(11-18(14)22)20(13-32-21)26(2,3)4/h5-7,10-13H,8-9H2,1-4H3,(H,27,28)(H,29,30)
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n/an/an/an/a 6.00E+4n/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of human NF-kappaB p50/DNA interaction using 32P-labeled oligonucleotides as substrate preincubated for 20 mins before substrate addition ...


J Med Chem 56: 1830-42 (2013)


Article DOI: 10.1021/jm3009647
BindingDB Entry DOI: 10.7270/Q2TH8P10
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50427531
PNG
(CHEMBL2322252)
Show SMILES Cc1c(CCC(=O)Nc2ccc(cc2)C(O)=O)c(=O)oc2c(C)c3oc4CCCCc4c3cc12
Show InChI InChI=1S/C27H25NO6/c1-14-18(11-12-23(29)28-17-9-7-16(8-10-17)26(30)31)27(32)34-24-15(2)25-21(13-20(14)24)19-5-3-4-6-22(19)33-25/h7-10,13H,3-6,11-12H2,1-2H3,(H,28,29)(H,30,31)
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n/an/an/an/a 6.00E+4n/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of human NF-kappaB p50/DNA interaction using 32P-labeled oligonucleotides as substrate preincubated for 20 mins before substrate addition ...


J Med Chem 56: 1830-42 (2013)


Article DOI: 10.1021/jm3009647
BindingDB Entry DOI: 10.7270/Q2TH8P10
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50427497
PNG
(CHEMBL2322555)
Show SMILES Cc1c(CC(=O)Nc2ccc(cc2)C(O)=O)c(=O)oc2c(C)c3occ(c3cc12)C(C)(C)C
Show InChI InChI=1S/C26H25NO6/c1-13-17-10-19-20(26(3,4)5)12-32-22(19)14(2)23(17)33-25(31)18(13)11-21(28)27-16-8-6-15(7-9-16)24(29)30/h6-10,12H,11H2,1-5H3,(H,27,28)(H,29,30)
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n/an/an/an/a 6.00E+4n/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of human NF-kappaB p50/DNA interaction using 32P-labeled oligonucleotides as substrate preincubated for 20 mins before substrate addition ...


J Med Chem 56: 1830-42 (2013)


Article DOI: 10.1021/jm3009647
BindingDB Entry DOI: 10.7270/Q2TH8P10
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50427501
PNG
(CHEMBL2322551)
Show SMILES Cc1c(CCC(=O)Nc2ccc(cc2)C(O)=O)c(=O)oc2cc3occ(c3cc12)C(C)(C)C
Show InChI InChI=1S/C26H25NO6/c1-14-17(9-10-23(28)27-16-7-5-15(6-8-16)24(29)30)25(31)33-22-12-21-19(11-18(14)22)20(13-32-21)26(2,3)4/h5-8,11-13H,9-10H2,1-4H3,(H,27,28)(H,29,30)
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n/an/an/an/a 6.00E+4n/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of human NF-kappaB p50/DNA interaction using 32P-labeled oligonucleotides as substrate preincubated for 20 mins before substrate addition ...


J Med Chem 56: 1830-42 (2013)


Article DOI: 10.1021/jm3009647
BindingDB Entry DOI: 10.7270/Q2TH8P10
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50427542
PNG
(CHEMBL2322275)
Show SMILES Cc1oc2c(C)c3oc(=O)c(CCC(=O)Nc4ccc(cc4)C(O)=O)c(C)c3cc2c1C
Show InChI InChI=1S/C25H23NO6/c1-12-15(4)31-22-14(3)23-20(11-19(12)22)13(2)18(25(30)32-23)9-10-21(27)26-17-7-5-16(6-8-17)24(28)29/h5-8,11H,9-10H2,1-4H3,(H,26,27)(H,28,29)
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n/an/an/an/a 6.00E+4n/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of human NF-kappaB p50/DNA interaction using 32P-labeled oligonucleotides as substrate preincubated for 20 mins before substrate addition ...


J Med Chem 56: 1830-42 (2013)


Article DOI: 10.1021/jm3009647
BindingDB Entry DOI: 10.7270/Q2TH8P10
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50427534
PNG
(CHEMBL2322283)
Show SMILES Cc1c(CC(=O)Nc2cccc(c2)C(O)=O)c(=O)oc2c(C)c3oc4CCCCc4c3cc12
Show InChI InChI=1S/C26H23NO6/c1-13-18-11-20-17-8-3-4-9-21(17)32-24(20)14(2)23(18)33-26(31)19(13)12-22(28)27-16-7-5-6-15(10-16)25(29)30/h5-7,10-11H,3-4,8-9,12H2,1-2H3,(H,27,28)(H,29,30)
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n/an/an/an/a 7.00E+4n/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of human NF-kappaB p50/DNA interaction using 32P-labeled oligonucleotides as substrate preincubated for 20 mins before substrate addition ...


J Med Chem 56: 1830-42 (2013)


Article DOI: 10.1021/jm3009647
BindingDB Entry DOI: 10.7270/Q2TH8P10
More data for this
Ligand-Target Pair
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