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 TXK tyrosine kinase,2268,P42681,Human,bosutinib,5710,,5328940,COc1cc2c(cc1OCCCN1CCN(CC1)C)ncc(c2Nc1cc(OC)c(cc1Cl)Cl)C#N,"InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)",UBPYILGKFZZVDX-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,9.52,,IC50,,0.3,,=,,,,19039322, TXK tyrosine kinase,2268,P42681,Human,ibrutinib,6912,,24821094,C=CC(=O)N1CCC[C@H](C1)n1nc(c2c1ncnc2N)c1ccc(cc1)Oc1ccccc1,"InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1",XYFPWWZEPKGCCK-GOSISDBHSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.7,,IC50,,2.0,,=,,,,26641137, TXK tyrosine kinase,2268,P42681,Human,compound 38 [PMID: 24915291],8145,,71556703,C=CC(=O)NCC(=O)Nc1cccc(c1)Nc1ncc(cn1)NC(=O)c1cc(ccc1C)NC(=O)c1cccc(c1)C(F)(F)F,"InChI=1S/C31H26F3N7O4/c1-3-26(42)35-17-27(43)38-21-8-5-9-22(13-21)41-30-36-15-24(16-37-30)40-29(45)25-14-23(11-10-18(25)2)39-28(44)19-6-4-7-20(12-19)31(32,33)34/h3-16H,1,17H2,2H3,(H,35,42)(H,38,43)(H,39,44)(H,40,45)(H,36,37,41)",SMOPKEHQPPXRSH-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.85,,IC50,,1.4,,=,,,,24915291, TXK tyrosine kinase,2268,P42681,Human,compound 23 [PMID: 17600705],8146,,23657507,Oc1ccc(c(c1)Nc1ccnc(n1)Nc1cccc(c1)S(=O)(=O)N)C,"InChI=1S/C17H17N5O3S/c1-11-5-6-13(23)10-15(11)21-16-7-8-19-17(22-16)20-12-3-2-4-14(9-12)26(18,24)25/h2-10,23H,1H3,(H2,18,24,25)(H2,19,20,21,22)",LKLIRPMEYRVLFV-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,9.4,,IC50,,0.4,,=,,,,17600705, TXK tyrosine kinase,2268,P42681,Human,compound 31 [PMID: 24915291],8148,,71519693,C=CC(=O)Nc1cccc(c1)Nc1ncc(cn1)NC(=O)c1cc(ccc1C)NC(=O)c1cccc(c1)C(F)(F)F,"InChI=1S/C29H23F3N6O3/c1-3-25(39)35-20-8-5-9-21(13-20)38-28-33-15-23(16-34-28)37-27(41)24-14-22(11-10-17(24)2)36-26(40)18-6-4-7-19(12-18)29(30,31)32/h3-16H,1H2,2H3,(H,35,39)(H,36,40)(H,37,41)(H,33,34,38)",BTWVWABAWDKQNJ-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.72,,IC50,,1.9,,=,,,,24915291, TXK tyrosine kinase,2268,P42681,Human,compound 7 [PMID: 22464456],8172,,135566612,CCC(c1ccc2c(c1)[nH]c(c2)c1n[nH]c2c1sc(c2)C(F)F)(CC)O,"InChI=1S/C19H19F2N3OS/c1-3-19(25,4-2)11-6-5-10-7-13(22-12(10)8-11)16-17-14(23-24-16)9-15(26-17)18(20)21/h5-9,18,22,25H,3-4H2,1-2H3,(H,23,24)",CQZZZUNOWZUNNG-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.11,,IC50,,77.5,,=,,,,22464456, TXK tyrosine kinase,2268,P42681,Human,acalabrutinib,8912,,71226662,CC#CC(=O)N1CCC[C@H]1c1nc(c2n1ccnc2N)c1ccc(cc1)C(=O)Nc1ccccn1,"InChI=1S/C26H23N7O2/c1-2-6-21(34)32-15-5-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-4-13-28-20/h3-4,8-14,16,19H,5,7,15H2,1H3,(H2,27,29)(H,28,30,35)/t19-/m0/s1",WDENQIQQYWYTPO-IBGZPJMESA-N,Inhibitor,Inhibition,,,,,pIC50,,6.43,,IC50,,368.0,,=,,,,26641137, TXK tyrosine kinase,2268,P42681,Human,PRN694,9285,,90044055,C=CC(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)C(F)F)nc2c1ccc(c2)CN[C@H](C(C)(C)C)C,"InChI=1S/C28H35F2N5O2S/c1-6-24(36)34-13-7-8-19(34)16-35-21-10-9-18(15-31-17(2)28(3,4)5)14-20(21)32-27(35)33-26(37)23-12-11-22(38-23)25(29)30/h6,9-12,14,17,19,25,31H,1,7-8,13,15-16H2,2-5H3,(H,32,33,37)/t17-,19+/m0/s1",NXTKFBGDLDPFLB-PKOBYXMFSA-N,Inhibitor,Inhibition,,,yes,,pIC50,,8.85,,IC50,,1.4,,=,,,,25593320, TXK tyrosine kinase,2268,P42681,Human,compound 9 [PMID: 26006010],9761,,73389638,N#C/C(=C\C(N(C1COC1)C)(C)C)/C(=O)N1CCC[C@H]1Cn1nc(c2c1ncnc2N)c1ccc(cc1F)Oc1ccccc1,"InChI=1S/C33H35FN8O3/c1-33(2,40(3)23-18-44-19-23)15-21(16-35)32(43)41-13-7-8-22(41)17-42-31-28(30(36)37-20-38-31)29(39-42)26-12-11-25(14-27(26)34)45-24-9-5-4-6-10-24/h4-6,9-12,14-15,20,22-23H,7-8,13,17-19H2,1-3H3,(H2,36,37,38)/b21-15+/t22-/m0/s1",YELZMARZEBVKBL-VAZXNAHHSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.39,,IC50,,41.0,,=,,,,26006010,