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 mitogen-activated protein kinase kinase kinase 7,2082,O43318,Human,RGB-286638,7744,,11285002,COCCN1CCN(CC1)Cc1ccc(cc1)c1n[nH]c2c1C(=O)c1c2cccc1NC(=O)NN1CCOCC1,"InChI=1S/C29H35N7O4/c1-39-16-13-34-9-11-35(12-10-34)19-20-5-7-21(8-6-20)26-25-27(32-31-26)22-3-2-4-23(24(22)28(25)37)30-29(38)33-36-14-17-40-18-15-36/h2-8H,9-19H2,1H3,(H,31,32)(H2,30,33,38)",XLSYZSRXVVCHLS-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.3,,IC50,,5.0,,=,,,,23807770, mitogen-activated protein kinase kinase kinase 7,2082,O43318,Human,NG-25,8074,,53340664,CCN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)Oc1ccnc2c1cc[nH]2)C,"InChI=1S/C29H30F3N5O2/c1-3-36-12-14-37(15-13-36)18-21-6-7-22(17-24(21)29(30,31)32)35-28(38)20-5-4-19(2)26(16-20)39-25-9-11-34-27-23(25)8-10-33-27/h4-11,16-17H,3,12-15,18H2,1-2H3,(H,33,34)(H,35,38)",SMPGEBOIKULBCT-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,6.83,,IC50,,149.0,,=,,,,25075558, mitogen-activated protein kinase kinase kinase 7,2082,O43318,Human,5Z-7-oxozeaenol,8077,,9863776,COc1cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\C[C@@H](OC(=O)c2c(c1)O)C,"InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3-/t11-,15-,18+/m0/s1",NEQZWEXWOFPKOT-BYRRXHGESA-N,Inhibitor,Inhibition,,,yes,,pIC50,8.05,,6.52,IC50,300.0,,9.0,=,Assayed using TAK1/TAB1 (TAK1-binding protein 1) fusion protein for full enzymatic activity. Inhibition of kinase activity.,,,23272696|22621397, mitogen-activated protein kinase kinase kinase 7,2082,O43318,Human,CEP-11981,8189,,11751922,CC(Cn1c2ccc(cc2c2c1c1CCc3c(c1c1c2CNC1=O)cn(n3)C)Nc1ncccn1)C,"InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)",AEULIVPVIDOLIN-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.85,,IC50,,14.0,,=,,,,22148921, mitogen-activated protein kinase kinase kinase 7,2082,O43318,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,,7.92,,IC50,,12.0,,=,,,,23099093, mitogen-activated protein kinase kinase kinase 7,2082,O43318,Human,compound 12 [PMID: 27448772],9453,,135567181,CN1CCN(CC1)C(=O)c1cccc(c1OC(C)C)NC(=O)c1csc2c1nc[nH]c2=O,"InChI=1S/C22H25N5O4S/c1-13(2)31-18-14(22(30)27-9-7-26(3)8-10-27)5-4-6-16(18)25-20(28)15-11-32-19-17(15)23-12-24-21(19)29/h4-6,11-13H,7-10H2,1-3H3,(H,25,28)(H,23,24,29)",MJJJFOLDERHCND-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.96,,IC50,,11.0,,=,In a biochemical assay.,,,27448772, mitogen-activated protein kinase kinase kinase 7,2082,O43318,Human,Takinib,9655,,37750349,CCCn1/c(=N/C(=O)c2cccc(c2)C(=O)N)/[nH]c2c1cccc2,"InChI=1S/C18H18N4O2/c1-2-10-22-15-9-4-3-8-14(15)20-18(22)21-17(24)13-7-5-6-12(11-13)16(19)23/h3-9,11H,2,10H2,1H3,(H2,19,23)(H,20,21,24)",UOZVVPXKJGOFIG-UHFFFAOYSA-N,Inhibitor,Inhibition,,,yes,,pIC50,,8.02,,IC50,,9.5,,=,"In vitro kinase activity assay, measuring phosphorylation of a peptide substrate by a purified recombinant TAK1 kinase domain fused to TAB1 c-terminal domain.",,,28820959, mitogen-activated protein kinase kinase kinase 7,2082,O43318,Human,compound 5 [PMID: 28038940],9699,,131801160,C=CC(=O)Nc1ccccc1Nc1nc(ncc1Cl)Nc1ccc(cc1)N1CCN(CC1)C,"InChI=1S/C24H26ClN7O/c1-3-22(33)28-20-6-4-5-7-21(20)29-23-19(25)16-26-24(30-23)27-17-8-10-18(11-9-17)32-14-12-31(2)13-15-32/h3-11,16H,1,12-15H2,2H3,(H,28,33)(H2,26,27,29,30)",SCMLGVPMSXTUNC-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.3,,IC50,,50.0,,=,In a biochemical enzyme activity assay.,,,28038940, mitogen-activated protein kinase kinase kinase 7,2082,O43318,Human,compound 25 [PMID: 28038940],9700,,131801161,COCCn1ncc(c1)Nc1ncc(c(n1)Oc1ccccc1NC(=O)C=C)Cl,"InChI=1S/C19H19ClN6O3/c1-3-17(27)24-15-6-4-5-7-16(15)29-18-14(20)11-21-19(25-18)23-13-10-22-26(12-13)8-9-28-2/h3-7,10-12H,1,8-9H2,2H3,(H,24,27)(H,21,23,25)",ORBLOJJZDLUQDF-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.62,,IC50,,2.4,,=,In a biochemical enzyme activity assay.,,,28038940,