target,target_id,target_uniprot,target_species,ligand,ligand_id,ligand_species,ligand_pubchem_cid,smiles,inchi,inchikey,type,action,action_comment,endogenous,primary_target,concentration_range,affinity_parameter,affinity_high,affinity_median,affinity_low,original_affinity_units,original_affinity_low_nm,original_affinity_median_nm,original_affinity_high_nm,original_affinity_relation,assay_description,receptor_site,ligand_context,pubmed_id inhibitor of nuclear factor kappa B kinase subunit epsilon,2040,Q14164,Human,amlexanox,7113,,2161,CC(c1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)O)N)C,"InChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)",SGRYPYWGNKJSDL-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,6.0,,5.7,IC50,2000.0,,1000.0,=,Inhibition of substrate phosphorylation.,,,23396211, inhibitor of nuclear factor kappa B kinase subunit epsilon,2040,Q14164,Human,BX-795,8006,,10077147,O=C(N1CCCC1)Nc1cccc(c1)Nc1ncc(c(n1)NCCCNC(=O)c1cccs1)I,"InChI=1S/C23H26IN7O2S/c24-18-15-27-22(30-20(18)25-9-5-10-26-21(32)19-8-4-13-34-19)28-16-6-3-7-17(14-16)29-23(33)31-11-1-2-12-31/h3-4,6-8,13-15H,1-2,5,9-12H2,(H,26,32)(H,29,33)(H2,25,27,28,30)",VAVXGGRQQJZYBL-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.39,,IC50,,41.0,,=,,,,19307177, inhibitor of nuclear factor kappa B kinase subunit epsilon,2040,Q14164,Human,MRT67307,8062,,44464263,O=C(C1CCC1)NCCCNc1nc(ncc1C1CC1)Nc1cccc(c1)CN1CCOCC1,"InChI=1S/C26H36N6O2/c33-25(21-5-2-6-21)28-11-3-10-27-24-23(20-8-9-20)17-29-26(31-24)30-22-7-1-4-19(16-22)18-32-12-14-34-15-13-32/h1,4,7,16-17,20-21H,2-3,5-6,8-15,18H2,(H,28,33)(H2,27,29,30,31)",UKBGBACORPRCGG-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,6.8,,IC50,,160.0,,=,,,,21138416, inhibitor of nuclear factor kappa B kinase subunit epsilon,2040,Q14164,Human,compound 17d [PMID: 23099093],8196,,44465558,O=C(C1CCC1)NCCCNc1nc(ncc1C1CC1)Nc1ccc(cc1)N1CCOCC1,"InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)",CJPMSUUANYLPET-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.52,,IC50,,30.0,,=,,,,23099093, inhibitor of nuclear factor kappa B kinase subunit epsilon,2040,Q14164,Human,SR8185,9578,,56646418,N#Cc1cc(ccc1N1CCCC1)c1ccnc(n1)Nc1cccc(c1)NC(=O)N1CCCC1,"InChI=1S/C26H27N7O/c27-18-20-16-19(8-9-24(20)32-12-1-2-13-32)23-10-11-28-25(31-23)29-21-6-5-7-22(17-21)30-26(34)33-14-3-4-15-33/h5-11,16-17H,1-4,12-15H2,(H,30,34)(H,28,29,31)",MQAQKNLCUSPSAF-UHFFFAOYSA-N,Inhibitor,Inhibition,,,yes,,pIC50,,8.52,,IC50,,3.0,,=,In an enzyme assay.,,,24150799, inhibitor of nuclear factor kappa B kinase subunit epsilon,2040,Q14164,Human,compound II [PMID: 21329883],9579,,126970685,COc1ccc(cc1)N1N=CC2C1N=C(N=C2)Nc1cc(OC)c(c(c1)OCCCN1CCN(CC1)C)OC,"InChI=1S/C28H37N7O4/c1-33-11-13-34(14-12-33)10-5-15-39-25-17-21(16-24(37-3)26(25)38-4)31-28-29-18-20-19-30-35(27(20)32-28)22-6-8-23(36-2)9-7-22/h6-9,16-20,27H,5,10-15H2,1-4H3,(H,31,32)",DRSHXJFUUPIBHX-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.23,,IC50,,59.0,,=,In a biochemical assay using purified recombinant enzyme.,,,21329883, inhibitor of nuclear factor kappa B kinase subunit epsilon,2040,Q14164,Human,MPI-0485520,9580,,56646218,N#Cc1cc(ccc1N1CCCC1)c1ccnc(n1)Nc1ccc2c(c1)CC(=O)N2,"InChI=1S/C23H20N6O/c24-14-17-11-15(3-6-21(17)29-9-1-2-10-29)20-7-8-25-23(28-20)26-18-4-5-19-16(12-18)13-22(30)27-19/h3-8,11-12H,1-2,9-10,13H2,(H,27,30)(H,25,26,28)",DHPSFJYFPJRCTN-UHFFFAOYSA-N,Inhibitor,Inhibition,,,yes,,pIC50,,8.52,,IC50,,3.0,,=,Using a Kinase Hotspot® assay.,,,, inhibitor of nuclear factor kappa B kinase subunit epsilon,2040,Q14164,Human,GSK8612,10343,,137553174,Brc1cnc(nc1NCc1ccc(cc1)S(=O)(=O)N)Nc1cn(nc1C)CC(F)(F)F,"InChI=1S/C17H17BrF3N7O2S/c1-10-14(8-28(27-10)9-17(19,20)21)25-16-24-7-13(18)15(26-16)23-6-11-2-4-12(5-3-11)31(22,29)30/h2-5,7-8H,6,9H2,1H3,(H2,22,29,30)(H2,23,24,25,26)",FFPHMUIGESPOTK-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pKd,,6.1,,Kd,,800.0,,~,In a Kinobeads assay using lysates from HEK293/K-562/Placenta/HepG2 cells.,,,31097999, inhibitor of nuclear factor kappa B kinase subunit epsilon,2040,Q14164,Human,BAY-985,10597,,145925685,O=C(N1CCN(CC1)[C@@H](c1ccnc(c1)Nc1nc2c([nH]1)cc(cc2)c1ncnc(c1)N(C)C)C)CC(F)(F)F,"InChI=1S/C27H30F3N9O/c1-17(38-8-10-39(11-9-38)25(40)15-27(28,29)30)18-6-7-31-23(13-18)36-26-34-20-5-4-19(12-22(20)35-26)21-14-24(37(2)3)33-16-32-21/h4-7,12-14,16-17H,8-11,15H2,1-3H3,(H2,31,34,35,36)/t17-/m1/s1",HZRJHVDNTDBTOZ-QGZVFWFLSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.7,,IC50,,2.0,,=,,,,31859507,