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 erb-b2 receptor tyrosine kinase 4,1799,Q15303,Human,EGFR/ErbB-2/ErbB-4 inhibitor,5965,,11566580,CC#CC(=O)Nc1ncc2c(c1)c(ncn2)Nc1ccc(c(c1)Cl)F,"InChI=1S/C17H11ClFN5O/c1-2-3-16(25)24-15-7-11-14(8-20-15)21-9-22-17(11)23-10-4-5-13(19)12(18)6-10/h4-9H,1H3,(H,20,24,25)(H,21,22,23)",DLPSDPPZXRJQOY-UHFFFAOYSA-N,Inhibitor,Inhibition,,,yes,,pIC50,,9.3,,IC50,,0.5,,=,,,,16480284, erb-b2 receptor tyrosine kinase 4,1799,Q15303,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,,8.47,,IC50,,3.4,,=,,,,26641137, erb-b2 receptor tyrosine kinase 4,1799,Q15303,Human,dacomitinib,7422,,11511120,COc1cc2ncnc(c2cc1NC(=O)/C=C/CN1CCCCC1)Nc1ccc(c(c1)Cl)F,"InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+",LVXJQMNHJWSHET-AATRIKPKSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.13,,IC50,,74.0,,=,,,,22621397, erb-b2 receptor tyrosine kinase 4,1799,Q15303,Human,AEE788,7643,,16035342,CCN1CCN(CC1)Cc1ccc(cc1)c1cc2c([nH]1)ncnc2N[C@@H](c1ccccc1)C,"InChI=1S/C27H32N6/c1-3-32-13-15-33(16-14-32)18-21-9-11-23(12-10-21)25-17-24-26(28-19-29-27(24)31-25)30-20(2)22-7-5-4-6-8-22/h4-12,17,19-20H,3,13-16,18H2,1-2H3,(H2,28,29,30,31)/t20-/m1/s1",OONFNUWBHFSNBT-HXUWFJFHSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.59,,IC50,,26.0,,=,,,,15256466, erb-b2 receptor tyrosine kinase 4,1799,Q15303,Human,BMS-599626,7647,,10437018,O=C(Nc1cn2c(c1C)c(ncn2)Nc1ccc2c(c1)cnn2Cc1cccc(c1)F)OC[C@@H]1COCCN1,"InChI=1S/C27H27FN8O3/c1-17-23(34-27(37)39-15-22-14-38-8-7-29-22)13-36-25(17)26(30-16-32-36)33-21-5-6-24-19(10-21)11-31-35(24)12-18-3-2-4-20(28)9-18/h2-6,9-11,13,16,22,29H,7-8,12,14-15H2,1H3,(H,34,37)(H,30,32,33)/t22-/m0/s1",LUJZZYWHBDHDQX-QFIPXVFZSA-N,Inhibitor,Inhibition,,,,,pIC50,,6.72,,IC50,,190.0,,=,,,,19821562, erb-b2 receptor tyrosine kinase 4,1799,Q15303,Human,poziotinib,7903,,25127713,C=CC(=O)N1CCC(CC1)Oc1cc2c(ncnc2cc1OC)Nc1ccc(c(c1F)Cl)Cl,"InChI=1S/C23H21Cl2FN4O3/c1-3-20(31)30-8-6-13(7-9-30)33-19-10-14-17(11-18(19)32-2)27-12-28-23(14)29-16-5-4-15(24)21(25)22(16)26/h3-5,10-13H,1,6-9H2,2H3,(H,27,28,29)",LPFWVDIFUFFKJU-UHFFFAOYSA-N,Inhibitor,Inhibition,,,yes,,pIC50,,7.63,,IC50,,23.5,,=,,,,21306821, erb-b2 receptor tyrosine kinase 4,1799,Q15303,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,,8.48,,IC50,,3.3,,=,,,,24915291, erb-b2 receptor tyrosine kinase 4,1799,Q15303,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,,7.8,,IC50,,16.0,,=,,,,26641137, erb-b2 receptor tyrosine kinase 4,1799,Q15303,Human,WZ4002,9176,,44607530,C=CC(=O)Nc1cccc(c1)Oc1nc(ncc1Cl)Nc1ccc(cc1OC)N1CCN(CC1)C,"InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)",ITTRLTNMFYIYPA-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pKd,,7.55,,Kd,,28.0,,=,,,,20033049, erb-b2 receptor tyrosine kinase 4,1799,Q15303,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,,7.19,,IC50,,65.0,,=,,,,26006010, erb-b2 receptor tyrosine kinase 4,1799,Q15303,Human,allitinib,9912,,24739943,C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc1ccc(c(c1)Cl)OCc1cccc(c1)F,"InChI=1S/C24H18ClFN4O2/c1-2-23(31)29-17-6-8-21-19(11-17)24(28-14-27-21)30-18-7-9-22(20(25)12-18)32-13-15-4-3-5-16(26)10-15/h2-12,14H,1,13H2,(H,29,31)(H,27,28,30)",MVZGYPSXNDCANY-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,9.1,,IC50,,0.8,,=,,,,21789172, erb-b2 receptor tyrosine kinase 4,1799,Q15303,Human,tucatinib,9922,,51039094,Cc1cc(ccc1Oc1ccn2c(c1)ncn2)Nc1ncnc2c1cc(cc2)NC1=NC(CO1)(C)C,"InChI=1S/C26H24N8O2/c1-16-10-17(5-7-22(16)36-19-8-9-34-23(12-19)28-15-30-34)31-24-20-11-18(4-6-21(20)27-14-29-24)32-25-33-26(2,3)13-35-25/h4-12,14-15H,13H2,1-3H3,(H,32,33)(H,27,29,31)",SDEAXTCZPQIFQM-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,6.51,,IC50,,310.0,,=,Inhibition of enzyme activity in a biochemical assay.,,,32241871, erb-b2 receptor tyrosine kinase 4,1799,Q15303,Human,xiliertinib,9929,,132992142,C#Cc1cccc(c1)NC1N=CN=C2C1C=C(NC(=O)N1C[C@H]3[C@@H](C1)CCN3C)C(=C2)OC,"InChI=1S/C25H28N6O2/c1-4-16-6-5-7-18(10-16)28-24-19-11-21(23(33-3)12-20(19)26-15-27-24)29-25(32)31-13-17-8-9-30(2)22(17)14-31/h1,5-7,10-12,15,17,19,22,24,28H,8-9,13-14H2,2-3H3,(H,29,32)/t17-,19?,22+,24?/m1/s1",HJXSISWJKLMCHI-FIFRQSLGSA-N,Inhibitor,Inhibition,,,,,pIC50,,6.15,,IC50,,705.0,,=,,,,28881608, erb-b2 receptor tyrosine kinase 4,1799,Q15303,Human,pirotinib,12612,,56933206,CN1CCC2(CC1)CC(C2)COC3=C(C=C4C(=C3)N=CN=C4NC5=CC(=C(C=C5)F)Cl)NC(=O)C=C,"InChI=1S/C27H29ClFN5O2/c1-3-25(35)33-23-11-19-22(30-16-31-26(19)32-18-4-5-21(29)20(28)10-18)12-24(23)36-15-17-13-27(14-17)6-8-34(2)9-7-27/h3-5,10-12,16-17H,1,6-9,13-15H2,2H3,(H,33,35)(H,30,31,32)",KJBZQIKLKWQVLL-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.72,,IC50,,1.9,,=,,,,,