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 cyclin dependent kinase 6,1978,Q00534,Human,AT-7519,5662,,11338033,O=C(c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl)NC1CCNCC1,"InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)",OVPNQJVDAFNBDN-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,6.77,,IC50,,170.0,,=,,,,19174555, cyclin dependent kinase 6,1978,Q00534,Human,Cdk/Crk inhibitor,5943,,135473382,OCCOc1ccc(cc1)Cc1nc(=O)c2c(n1)n([nH]c2C(C)C)c1c(Cl)cccc1Cl,"InChI=1S/C23H22Cl2N4O3/c1-13(2)20-19-22(29(28-20)21-16(24)4-3-5-17(21)25)26-18(27-23(19)31)12-14-6-8-15(9-7-14)32-11-10-30/h3-9,13,28,30H,10-12H2,1-2H3",VQNCIRRXQQTXEL-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,6.55,,IC50,,282.0,,=,CDK6/cyclin D3 complex,,,18077363, cyclin dependent kinase 6,1978,Q00534,Human,palbociclib,7380,,5330286,CC(=O)c1c(C)c2cnc(nc2n(c1=O)C1CCCC1)Nc1ccc(cn1)N1CCNCC1,"InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)",AHJRHEGDXFFMBM-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.96,,IC50,,11.0,,=,,,,31330105, cyclin dependent kinase 6,1978,Q00534,Human,palbociclib,7380,,5330286,CC(=O)c1c(C)c2cnc(nc2n(c1=O)C1CCCC1)Nc1ccc(cn1)N1CCNCC1,"InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)",AHJRHEGDXFFMBM-UHFFFAOYSA-N,Inhibitor,Inhibition,,,yes,,pIC50,,7.8,,IC50,,16.0,,=,,,,15542782, cyclin dependent kinase 6,1978,Q00534,Human,palbociclib,7380,,5330286,CC(=O)c1c(C)c2cnc(nc2n(c1=O)C1CCCC1)Nc1ccc(cn1)N1CCNCC1,"InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)",AHJRHEGDXFFMBM-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.44,,IC50,,36.0,,=,,,,, cyclin dependent kinase 6,1978,Q00534,Human,abemaciclib,7382,,46220502,CCN1CCN(CC1)Cc1ccc(nc1)Nc1ncc(c(n1)c1cc(F)c2c(c1)n(C(C)C)c(n2)C)F,"InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)",UZWDCWONPYILKI-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.0,,IC50,,10.0,,=,CDK6/cyclin D1 complex expressed in and purified from insect cells. Assays used the methanesulfonate salt of the compound.,,,24919854, cyclin dependent kinase 6,1978,Q00534,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,,7.26,,IC50,,55.0,,=,in association with cyclin D3,,,23807770, cyclin dependent kinase 6,1978,Q00534,Human,trilaciclib,9626,,68029831,CN1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n1c(c2)C(=O)NCC21CCCCC2,"InChI=1S/C24H30N8O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29)",PDGKHKMBHVFCMG-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.4,,IC50,,4.0,,=,Inhibition of CDK6/cyclin D3,,,26826116, cyclin dependent kinase 6,1978,Q00534,Human,voruciclib,9923,,67409219,OC[C@@H]1N(C)CC[C@H]1c1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1Cl)C(F)(F)F)O,"InChI=1S/C22H19ClF3NO5/c1-27-5-4-12(14(27)9-28)19-15(29)7-16(30)20-17(31)8-18(32-21(19)20)11-3-2-10(6-13(11)23)22(24,25)26/h2-3,6-8,12,14,28-30H,4-5,9H2,1H3/t12-,14+/m1/s1",MRPGRAKIAJJGMM-OCCSQVGLSA-N,Inhibitor,Inhibition,,,,,pIC50,,6.68,,IC50,,210.0,,=,Inhibition of CDK6/cyclinD3.,,,26606677, cyclin dependent kinase 6,1978,Q00534,Human,lerociclib,10313,,86269224,CC(N1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n1c(c2)C(=O)NCC21CCCCC2)C,"InChI=1S/C26H34N8O/c1-18(2)32-10-12-33(13-11-32)20-6-7-22(27-16-20)30-25-28-15-19-14-21-24(35)29-17-26(8-4-3-5-9-26)34(21)23(19)31-25/h6-7,14-16,18H,3-5,8-13,17H2,1-2H3,(H,29,35)(H,27,28,30,31)",YPJRHEKCFKOVRT-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.33,,IC50,,4.7,,=,Inhibition of CDK6/cyclin D3 complex,,,, cyclin dependent kinase 6,1978,Q00534,Human,PF-06873600,10426,,134247638,FC(c1cc2cnc(nc2n(c1=O)[C@@H]1CCC[C@@]1(C)O)NC1CCN(CC1)S(=O)(=O)C)F,"InChI=1S/C20H27F2N5O4S/c1-20(29)7-3-4-15(20)27-17-12(10-14(16(21)22)18(27)28)11-23-19(25-17)24-13-5-8-26(9-6-13)32(2,30)31/h10-11,13,15-16,29H,3-9H2,1-2H3,(H,23,24,25)/t15-,20-/m1/s1",QIEKHLDZKRQLLN-FOIQADDNSA-N,Inhibitor,Inhibition,,,,,pKi,,10.1,,Ki,,0.08,,=,Evaluated in a CDK6/Cyclin D1 mobility shift assay.,,,, cyclin dependent kinase 6,1978,Q00534,Human,BSJ-03-204,10530,,139593561,O=C(COc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCCCN1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n(C1CCCC1)c(=O)c(c2C)C(=O)C,"InChI=1S/C43H48N10O8/c1-25-30-23-46-43(49-38(30)52(27-8-3-4-9-27)41(59)36(25)26(2)54)47-33-14-12-28(22-45-33)51-20-18-50(19-21-51)17-6-5-16-44-35(56)24-61-32-11-7-10-29-37(32)42(60)53(40(29)58)31-13-15-34(55)48-39(31)57/h7,10-12,14,22-23,27,31H,3-6,8-9,13,15-21,24H2,1-2H3,(H,44,56)(H,48,55,57)(H,45,46,47,49)",KDMOCOWXLQOXEB-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.98,,IC50,,10.4,,=,Inhibition of CDK6/cyclin D1 kinase activity in a biochemical assay.,,,30802347, cyclin dependent kinase 6,1978,Q00534,Human,BSJ-04-132,10531,,139593562,O=C(COc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCCCN1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n(C1CCCC1)c(c2)C(=O)N(C)C,"InChI=1S/C42H49N11O7/c1-49(2)40(58)31-22-26-23-45-42(48-37(26)52(31)27-8-3-4-9-27)46-33-14-12-28(24-44-33)51-20-18-50(19-21-51)17-6-5-16-43-35(55)25-60-32-11-7-10-29-36(32)41(59)53(39(29)57)30-13-15-34(54)47-38(30)56/h7,10-12,14,22-24,27,30H,3-6,8-9,13,15-21,25H2,1-2H3,(H,43,55)(H,47,54,56)(H,44,45,46,48)",GWLSXEHHNOBFOI-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.52,,IC50,,30.0,,=,Inhibition of CDK6/cyclin D1 kinase activity in a biochemical assay.,,,30802347, cyclin dependent kinase 6,1978,Q00534,Human,BSJ-03-123,10532,,137628658,O=C(COc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCOCCOCCOCCN1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n(C1CCCC1)c(=O)c(c2C)C(=O)C,"InChI=1S/C47H56N10O11/c1-29-34-27-50-47(53-42(34)56(31-6-3-4-7-31)45(63)40(29)30(2)58)51-37-12-10-32(26-49-37)55-17-15-54(16-18-55)19-21-66-23-25-67-24-22-65-20-14-48-39(60)28-68-36-9-5-8-33-41(36)46(64)57(44(33)62)35-11-13-38(59)52-43(35)61/h5,8-10,12,26-27,31,35H,3-4,6-7,11,13-25,28H2,1-2H3,(H,48,60)(H,52,59,61)(H,49,50,51,53)",LUHCYAOYQIFNRN-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.42,,IC50,,37.7,,=,Inhibition of CDK6/cyclin D1 activity in a biochemical kinase assay.,,,30802347, cyclin dependent kinase 6,1978,Q00534,Human,dalpiciclib,11189,,86279927,CC(=O)c1c(C)c2cnc(nc2n(c1=O)C1CCCC1)Nc1ccc(cn1)C1CCNCC1,"InChI=1S/C25H30N6O2/c1-15-20-14-28-25(29-21-8-7-18(13-27-21)17-9-11-26-12-10-17)30-23(20)31(19-5-3-4-6-19)24(33)22(15)16(2)32/h7-8,13-14,17,19,26H,3-6,9-12H2,1-2H3,(H,27,28,29,30)",SGJLSPUSUBJWHO-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.22,,IC50,,6.0,,=,,,,, cyclin dependent kinase 6,1978,Q00534,Human,cimpuciclib,11409,,134343855,O=C(c1ccc(nc1C)Nc1ncc(c(n1)c1ccc2c(c1)n(C(C)C)c(n2)C)F)N1CCC(CC1)NC1CC1,"InChI=1S/C30H35FN8O/c1-17(2)39-19(4)34-25-9-5-20(15-26(25)39)28-24(31)16-32-30(37-28)36-27-10-8-23(18(3)33-27)29(40)38-13-11-22(12-14-38)35-21-6-7-21/h5,8-10,15-17,21-22,35H,6-7,11-14H2,1-4H3,(H,32,33,36,37)",FDSYOFCVZBGPOV-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.02,,IC50,,9.56,,=,,,,, cyclin dependent kinase 6,1978,Q00534,Human,CP-10,11662,,138911323,Cc1c(c(=O)n(c2nc(ncc12)Nc1ncc(cc1)N1CCN(CC1)Cc1cn(nn1)CCOCCNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)C1CCCC1)C=O,"InChI=1S/C43H47N13O7/c1-26-31-22-46-43(49-38(31)55(28-5-2-3-6-28)41(61)32(26)25-57)47-35-11-9-29(21-45-35)53-16-14-52(15-17-53)23-27-24-54(51-50-27)18-20-63-19-13-44-33-8-4-7-30-37(33)42(62)56(40(30)60)34-10-12-36(58)48-39(34)59/h4,7-9,11,21-22,24-25,28,34,44H,2-3,5-6,10,12-20,23H2,1H3,(H,48,58,59)(H,45,46,47,49)",MZTSDEMVUMXQFP-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,6.58,,IC50,,262.0,,=,,,,31330105, cyclin dependent kinase 6,1978,Q00534,Human,narazaciclib,11879,,56649281,C1(CCCC1)n1c(=O)c(cc2c1nc(nc2)Nc1ccc(cc1)N1CCN(CC1)C)C#N,"InChI=1S/C24H27N7O/c1-29-10-12-30(13-11-29)20-8-6-19(7-9-20)27-24-26-16-18-14-17(15-25)23(32)31(22(18)28-24)21-4-2-3-5-21/h6-9,14,16,21H,2-5,10-13H2,1H3,(H,26,27,28)",VADOZMZXXRBXNY-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.01,,IC50,,9.82,,=,CDK6/CyclinD1,,,24417566, cyclin dependent kinase 6,1978,Q00534,Human,tanuxiciclib,11885,,137150090,Nc1nccc(c1F)c1nc(c(cc1)O)c1nc(nc(c1)C)N,"InChI=1S/C15H13FN6O/c1-7-6-10(22-15(18)20-7)13-11(23)3-2-9(21-13)8-4-5-19-14(17)12(8)16/h2-6,23H,1H3,(H2,17,19)(H2,18,20,22)",UQHDKUFLWKTTDL-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.47,,IC50,,33.8,,=,CDK6/cyclinD,,,, cyclin dependent kinase 6,1978,Q00534,Human,crozbaciclib,12076,,129202507,Fc1c(nc(nc1)Nc1ncc(cc1)C1CCN(CC1)C)c1cc2C3(C(=Nc2c(c1)F)C)CCCC3,"InChI=1S/C28H30F2N6/c1-17-28(9-3-4-10-28)21-13-20(14-22(29)26(21)33-17)25-23(30)16-32-27(35-25)34-24-6-5-19(15-31-24)18-7-11-36(2)12-8-18/h5-6,13-16,18H,3-4,7-12H2,1-2H3,(H,31,32,34,35)",AEFFENQISAXIKE-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,9.0,,IC50,,1.0,,=,Inhibition of CDK6/cyclin D3 in vitro,,,29247857, cyclin dependent kinase 6,1978,Q00534,Human,inixaciclib,12078,,139390026,Fc1c(nc(nc1)Nc1ncc(cc1)C1CCN(CC1)C)c1cc(c2c(N(CCO2)C(C)C)c1)F,"InChI=1S/C26H30F2N6O/c1-16(2)34-10-11-35-25-20(27)12-19(13-22(25)34)24-21(28)15-30-26(32-24)31-23-5-4-18(14-29-23)17-6-8-33(3)9-7-17/h4-5,12-17H,6-11H2,1-3H3,(H,29,30,31,32)",YZSCPLGKKMSBMV-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,9.0,,IC50,,1.0,,=,,,,, cyclin dependent kinase 6,1978,Q00534,Human,ulecaciclib,12079,,126535127,C1(CCCC1)Nc1sc(c(n1)C)c1nc(ncc1F)Nc1ncc(cc1)CN1CCN(CC1)CC,"InChI=1S/C25H33FN8S/c1-3-33-10-12-34(13-11-33)16-18-8-9-21(27-14-18)31-24-28-15-20(26)22(32-24)23-17(2)29-25(35-23)30-19-6-4-5-7-19/h8-9,14-15,19H,3-7,10-13,16H2,1-2H3,(H,29,30)(H,27,28,31,32)",POFVJRKJJBFPII-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pKi,,7.85,,Ki,,14.0,,=,Inhibition of CDK6/cyclin D3 in vitro,,,28156111, cyclin dependent kinase 6,1978,Q00534,Human,tibremciclib,12881,,,C(C)N1CCN(CC1)CC=2C=CC(=NC2)NC3=NC=C(C(=N3)C=4C=C(C5=C(N6C(=N5)CCC[C@H]6C)C4)F)F,"InChI=1S/C28H32F2N8/c1-3-36-9-11-37(12-10-36)17-19-7-8-24(31-15-19)33-28-32-16-22(30)26(35-28)20-13-21(29)27-23(14-20)38-18(2)5-4-6-25(38)34-27/h7-8,13-16,18H,3-6,9-12,17H2,1-2H3,(H,31,32,33,35)/t18-/m1/s1",XOJPAVACYRFOBK-GOSISDBHSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.66,,IC50,,22.0,,=,,,,,