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 1,1961,P06493,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,,6.68,,IC50,,210.0,,=,,,,19174555, cyclin dependent kinase 1,1961,P06493,Human,BMS-387032,5670,,3025986,O=C(C1CCNCC1)Nc1ncc(s1)SCc1ncc(o1)C(C)(C)C,"InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)",OUSFTKFNBAZUKL-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pKi,,6.32,,Ki,,480.0,,=,,,,23252711, cyclin dependent kinase 1,1961,P06493,Human,R547,5707,,6918852,COc1ccc(c(c1C(=O)c1cnc(nc1N)NC1CCN(CC1)S(=O)(=O)C)F)F,"InChI=1S/C18H21F2N5O4S/c1-29-13-4-3-12(19)15(20)14(13)16(26)11-9-22-18(24-17(11)21)23-10-5-7-25(8-6-10)30(2,27)28/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24)",JRNJNYBQQYBCLE-UHFFFAOYSA-N,Inhibitor,Inhibition,,,yes,,pKi,,8.7,,Ki,,2.0,,=,Assayed using CDK1/cyclin B complex.,,,17121911, cyclin dependent kinase 1,1961,P06493,Human,aloisine A,5924,,448912,CCCCc1c(=C2C=CC(=O)C=C2)[nH]c2c1[nH]ccn2,"InChI=1S/C16H17N3O/c1-2-3-4-13-14(11-5-7-12(20)8-6-11)19-16-15(13)17-9-10-18-16/h5-10,17H,2-4H2,1H3,(H,18,19)",AYIIQABSVDIZSY-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,6.82,,IC50,,150.0,,=,CDK1 in association with cyclin B,,,12519061, cyclin dependent kinase 1,1961,P06493,Human,alsterpaullone,5925,,5005498,O=C1Nc2ccccc2c2c(C1)c1cc(ccc1[nH]2)[N+](=O)[O-],"InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)",OLUKILHGKRVDCT-UHFFFAOYSA-N,Inhibitor,Inhibition,,,yes,,pIC50,,7.46,,IC50,,35.0,,=,CDK1 in association with cyclin B,,,10998059, cyclin dependent kinase 1,1961,P06493,Human,alsterpaullone 2-cyanoethyl,5926,,16760286,N#CCCc1ccc2c(c1)c1[nH]c3c(c1CC(=O)N2)cc(cc3)[N+](=O)[O-],"InChI=1S/C19H14N4O3/c20-7-1-2-11-3-5-17-15(8-11)19-14(10-18(24)21-17)13-9-12(23(25)26)4-6-16(13)22-19/h3-6,8-9,22H,1-2,10H2,(H,21,24)",UBLFSMURWWWWMH-UHFFFAOYSA-N,Inhibitor,Inhibition,,,yes,,pIC50,,9.64,,IC50,,0.23,,=,CDK1 in association with cyclin B,,,18077363, cyclin dependent kinase 1,1961,P06493,Human,aminopurvalanol A,5927,,6604931,OC[C@@H](C(C)C)Nc1nc(Nc2cc(N)cc(c2)Cl)c2c(n1)n(cn2)C(C)C,"InChI=1S/C19H26ClN7O/c1-10(2)15(8-28)24-19-25-17(23-14-6-12(20)5-13(21)7-14)16-18(26-19)27(9-22-16)11(3)4/h5-7,9-11,15,28H,8,21H2,1-4H3,(H2,23,24,25,26)/t15-/m0/s1",RAMROQQYRRQPDL-HNNXBMFYSA-N,Inhibitor,Inhibition,,,yes,,pIC50,,7.48,,IC50,,33.0,,=,CDK1 in association with cyclin B,,,18077363, cyclin dependent kinase 1,1961,P06493,Human,JNJ-7706621,5932,,5330790,Fc1cccc(c1C(=O)n1nc(nc1N)Nc1ccc(cc1)S(=O)(=O)N)F,"InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)",KDKUVYLMPJIGKA-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.19,,IC50,,6.4,,=,CDK1 in association with cyclin B,,,15974571, cyclin dependent kinase 1,1961,P06493,Human,bohemine,5938,,2422,OCCCNc1nc(NCc2ccccc2)c2c(n1)n(cn2)C(C)C,"InChI=1S/C18H24N6O/c1-13(2)24-12-21-15-16(20-11-14-7-4-3-5-8-14)22-18(23-17(15)24)19-9-6-10-25/h3-5,7-8,12-13,25H,6,9-11H2,1-2H3,(H2,19,20,22,23)",OPQGFIAVPSXOBO-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,5.96,,IC50,,1100.0,,=,CDK1/cyclin B complexes purified from sf9 cells,,,11896531, cyclin dependent kinase 1,1961,P06493,Human,Cdk1 inhibitor,5944,,5472558,O=C1Nc2c(/C/1=C\c1c(Cl)[nH]c3c1cccc3)cccc2,"InChI=1S/C17H11ClN2O/c18-16-12(10-5-1-3-7-14(10)19-16)9-13-11-6-2-4-8-15(11)20-17(13)21/h1-9,19H,(H,20,21)/b13-9+",QJKBRWSJWQVKLY-UKTHLTGXSA-N,Inhibitor,Inhibition,,,yes,,pIC50,,5.24,,IC50,,5800.0,,=,CDK1/cyclin B complex,,,18077363, cyclin dependent kinase 1,1961,P06493,Human,CGP74514A,5945,,2794188,CCn1cnc2c1nc(N[C@@H]1CCCC[C@@H]1N)nc2Nc1cccc(c1)Cl,"InChI=1S/C19H24ClN7/c1-2-27-11-22-16-17(23-13-7-5-6-12(20)10-13)25-19(26-18(16)27)24-15-9-4-3-8-14(15)21/h5-7,10-11,14-15H,2-4,8-9,21H2,1H3,(H2,23,24,25,26)/t14-,15+/m0/s1",UTBSBSOBZHXMHI-LSDHHAIUSA-N,Inhibitor,Inhibition,,,yes,,pIC50,,7.6,,IC50,,25.0,,=,,,,9990463, cyclin dependent kinase 1,1961,P06493,Human,CGP74514A,5945,,2794188,CCn1cnc2c1nc(N[C@@H]1CCCC[C@@H]1N)nc2Nc1cccc(c1)Cl,"InChI=1S/C19H24ClN7/c1-2-27-11-22-16-17(23-13-7-5-6-12(20)10-13)25-19(26-18(16)27)24-15-9-4-3-8-14(15)21/h5-7,10-11,14-15H,2-4,8-9,21H2,1H3,(H2,23,24,25,26)/t14-,15+/m0/s1",UTBSBSOBZHXMHI-LSDHHAIUSA-N,Inhibitor,Inhibition,,,,,pIC50,,6.83,,IC50,,147.0,,=,In vitro inhibition of human CDK1/cyclin B.,,,30234987, cyclin dependent kinase 1,1961,P06493,Human,Cdk1/2 inhibitor III,5946,,5330812,Fc1cccc(c1NC(=S)n1nc(nc1N)Nc1ccc(cc1)S(=O)(=O)N)F,"InChI=1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23)",ARIOBGGRZJITQX-UHFFFAOYSA-N,Inhibitor,Inhibition,,,yes,,pIC50,,9.22,,IC50,,0.6,,=,CDK1/cyclin B complex,,,15974571, cyclin dependent kinase 1,1961,P06493,Human,Cdk1/5 inhibitor,5947,,438981,Nc1[nH]nc2c1nc1ccccc1n2,"InChI=1S/C9H7N5/c10-8-7-9(14-13-8)12-6-4-2-1-3-5(6)11-7/h1-4H,(H3,10,12,13,14)",DWHVZCLBMTZRQM-UHFFFAOYSA-N,Inhibitor,Inhibition,,,yes,,pIC50,,6.22,,IC50,,600.0,,=,CDK1/cyclin B complex,,,18077363, cyclin dependent kinase 1,1961,P06493,Human,Cdk2 inhibitor III,5948,,6918386,OCCN(c1nc(NCc2ccc(cc2)OC)c2c(n1)n(cn2)C(C)C)CCO,"InChI=1S/C20H28N6O3/c1-14(2)26-13-22-17-18(21-12-15-4-6-16(29-3)7-5-15)23-20(24-19(17)26)25(8-10-27)9-11-28/h4-7,13-14,27-28H,8-12H2,1-3H3,(H,21,23,24)",NQVIIUBWMBHLOZ-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,5.38,,IC50,,4200.0,,=,CDK1/cyclin B complex,,,18077363, cyclin dependent kinase 1,1961,P06493,Human,Cdk2 inhibitor IV,5949,,10202471,CCN(C(=O)c1ccc(cc1)Nc1nc(OCC2CCCCC2)c2c(n1)nc[nH]2)CC,"InChI=1S/C23H30N6O2/c1-3-29(4-2)22(30)17-10-12-18(13-11-17)26-23-27-20-19(24-15-25-20)21(28-23)31-14-16-8-6-5-7-9-16/h10-13,15-16H,3-9,14H2,1-2H3,(H2,24,25,26,27,28)",XHEQSRJCJTWWAH-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,5.18,,IC50,,6600.0,,=,CDK1/cyclin B complex used in assay,,,16170024, cyclin dependent kinase 1,1961,P06493,Human,Cdk4 inhibitor,5950,,5330797,Brc1ccc2c(c1)[nH]c1c2c2c(=O)[nH]c(=O)c2c2c1[nH]c1c2cccc1,"InChI=1S/C20H10BrN3O2/c21-8-5-6-10-12(7-8)23-18-14(10)16-15(19(25)24-20(16)26)13-9-3-1-2-4-11(9)22-17(13)18/h1-7,22-23H,(H,24,25,26)",NMFKDDRQSNVETB-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,5.68,,IC50,,2100.0,,=,CDK1/cyclin B complex,,,12747775, cyclin dependent kinase 1,1961,P06493,Human,compound 52 [PMID: 9677190],5955,,2856,OCCNc1nc(Nc2cccc(c2)Cl)c2c(n1)n(cn2)C(C)C,"InChI=1S/C16H19ClN6O/c1-10(2)23-9-19-13-14(20-12-5-3-4-11(17)8-12)21-16(18-6-7-24)22-15(13)23/h3-5,8-10,24H,6-7H2,1-2H3,(H2,18,20,21,22)",XZEFMZCNXDQXOZ-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,6.47,,IC50,,340.0,,=,CDK1/cyclin B complex,,,9677190, cyclin dependent kinase 1,1961,P06493,Human,GSK-3 inhibitor IX,5974,,448949,ONC1=c2ccccc2=N/C/1=C/1\C(=O)Nc2c1ccc(c2)Br,"InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,20,22H,(H,19,21)/b15-13-",WNWSUJQVZJJGLF-SQFISAMPSA-N,Inhibitor,Inhibition,,,,,pIC50,,6.49,,IC50,,320.0,,=,CDK1/cyclin B complex,,,14761195|14700633, cyclin dependent kinase 1,1961,,spiny starfish,kenpaullone,6000,,3820,O=C1Nc2ccccc2c2c(C1)c1cc(Br)ccc1[nH]2,"InChI=1S/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20)",QQUXFYAWXPMDOE-UHFFFAOYSA-N,Inhibitor,Inhibition,,,yes,,pIC50,,6.4,,IC50,,400.0,,=,CDK1/cyclin B complex,,,10363974, cyclin dependent kinase 1,1961,P06493,Human,SU9516,6045,,5289419,COc1ccc2c(c1)/C(=C/c1cnc[nH]1)/C(=O)N2,"InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4-",QNUKRWAIZMBVCU-WCIBSUBMSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.4,,IC50,,40.0,,=,CDK1/cyclin B complex used in assay,,,11507069, cyclin dependent kinase 1,1961,P06493,Human,SU9516,6045,,5289419,COc1ccc2c(c1)/C(=C/c1cnc[nH]1)/C(=O)N2,"InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4-",QNUKRWAIZMBVCU-WCIBSUBMSA-N,Inhibitor,Inhibition,,,,,pIC50,,6.77,,IC50,,168.0,,=,In vitro inhibition of CDK1/cyclin B.,,,30234987, cyclin dependent kinase 1,1961,P06493,Human,dinaciclib,7379,,46926350,OCC[C@@H]1CCCCN1c1cc(NCc2ccc[n+](c2)[O-])n2c(n1)c(CC)cn2,"InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1",PIMQWRZWLQKKBJ-SFHVURJKSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.52,,IC50,,3.0,,=,,,,24007471, cyclin dependent kinase 1,1961,P06493,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,,,yes,,pIC50,,8.7,,IC50,,2.0,,=,in association with cyclin B1,,,23807770, cyclin dependent kinase 1,1961,P06493,Human,roniciclib,7874,,45380979,C[C@H]([C@H](Oc1nc(ncc1C(F)(F)F)Nc1ccc(cc1)S(=O)(=N)C1CC1)C)O,"InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11-,29?/m1/s1",UELYDGOOJPRWGF-MFOHZAOFSA-N,Inhibitor,Inhibition,,,yes,,pIC50,,8.15,,IC50,,7.0,,=,CDK1/cyclin B complex,,,23671017, cyclin dependent kinase 1,1961,P06493,Human,7-hydroxystaurosporine,7907,,72271,CN[C@@H]1C[C@H]2O[C@]([C@@H]1OC)(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3[C@H](NC1=O)O,"InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-,28+/m1/s1",PBCZSGKMGDDXIJ-HQCWYSJUSA-N,Inhibitor,Inhibition,,,yes,,pIC50,,7.3,,IC50,,50.0,,=,,,,15486189, cyclin dependent kinase 1,1961,P06493,Human,riviciclib,7934,,23643976,OC[C@@H]1N(C)CC[C@H]1c1c(O)cc(c2c1oc(cc2=O)c1ccccc1Cl)O,"InChI=1S/C21H20ClNO5/c1-23-7-6-12(14(23)10-24)19-15(25)8-16(26)20-17(27)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,14,24-26H,6-7,10H2,1H3/t12-,14+/m1/s1",QLUYMIVVAYRECT-OCCSQVGLSA-N,Inhibitor,Inhibition,,,yes,,pIC50,,7.1,,IC50,,79.0,,=,CDK1/cyclin B complex,,,17363486, cyclin dependent kinase 1,1961,P06493,Human,milciclib,7938,,16718576,CNC(=O)c1nn(c2c1C(C)(C)Cc1c2nc(nc1)Nc1ccc(cc1)N1CCN(CC1)C)C,"InChI=1S/C25H32N8O/c1-25(2)14-16-15-27-24(29-20(16)22-19(25)21(23(34)26-3)30-32(22)5)28-17-6-8-18(9-7-17)33-12-10-31(4)11-13-33/h6-9,15H,10-14H2,1-5H3,(H,26,34)(H,27,28,29)",RXZMYLDMFYNEIM-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,5.92,,IC50,,1200.0,,=,In vitro inhibition of CDK1/cyclin B.,,,30234987, cyclin dependent kinase 1,1961,P06493,Human,laduviglusib,8014,,9956119,N#Cc1ccc(nc1)NCCNc1ncc(c(n1)c1ccc(cc1Cl)Cl)c1ncc([nH]1)C,"InChI=1S/C22H18Cl2N8/c1-13-10-29-21(31-13)17-12-30-22(32-20(17)16-4-3-15(23)8-18(16)24)27-7-6-26-19-5-2-14(9-25)11-28-19/h2-5,8,10-12H,6-7H2,1H3,(H,26,28)(H,29,31)(H,27,30,32)",AQGNHMOJWBZFQQ-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,5.06,,IC50,,8800.0,,=,,,,12606497, cyclin dependent kinase 1,1961,P06493,Human,1-azakenpaullone,8018,,6538897,O=C1Nc2cccnc2c2c(C1)c1cc(Br)ccc1[nH]2,"InChI=1S/C15H10BrN3O/c16-8-3-4-11-9(6-8)10-7-13(20)18-12-2-1-5-17-15(12)14(10)19-11/h1-6,19H,7H2,(H,18,20)",NTSBZVCEIVPKBJ-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,5.7,,IC50,,2000.0,,=,CDK1/cyclin B complex in assay,,,14698171, cyclin dependent kinase 1,1961,P06493,Human,BMS-265246,8051,,5329775,CCCCOc1c(cnc2c1cn[nH]2)C(=O)c1c(F)cc(cc1F)C,"InChI=1S/C18H17F2N3O2/c1-3-4-5-25-17-11(8-21-18-12(17)9-22-23-18)16(24)15-13(19)6-10(2)7-14(15)20/h6-9H,3-5H2,1-2H3,(H,21,22,23)",SCFMWQIQBVZOQR-UHFFFAOYSA-N,Inhibitor,Inhibition,,,yes,,pIC50,,8.22,,IC50,,6.0,,=,,,,21216932, cyclin dependent kinase 1,1961,P06493,Human,compound 89S [PMID: 19115845],8114,,16757525,FCC[C@H]1CNC(=O)c2c1[nH]c(c2)c1ccnc(n1)N,"InChI=1S/C13H14FN5O/c14-3-1-7-6-17-12(20)8-5-10(18-11(7)8)9-2-4-16-13(15)19-9/h2,4-5,7,18H,1,3,6H2,(H,17,20)(H2,15,16,19)/t7-/m0/s1",LCBAQTCTQXHTJG-ZETCQYMHSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.52,,IC50,,30.0,,=,CDK1/cyclin B complex,,,19115845, cyclin dependent kinase 1,1961,P06493,Human,compound 9b [PMID: 18986805],8160,,11675054,CNC(=O)c1ccc(cc1F)Nc1nccc(n1)c1cnc(n1C(C)C)C,"InChI=1S/C19H21FN6O/c1-11(2)26-12(3)23-10-17(26)16-7-8-22-19(25-16)24-13-5-6-14(15(20)9-13)18(27)21-4/h5-11H,1-4H3,(H,21,27)(H,22,24,25)",OCUYCOQPRGFQEV-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.22,,IC50,,60.0,,=,,,,18986805, cyclin dependent kinase 1,1961,P06493,Human,BS-194,8176,,25125014,OC[C@@H]([C@@H](CO)O)Nc1cc(NCc2ccccc2)n2c(n1)c(cn2)C(C)C,"InChI=1S/C20H27N5O3/c1-13(2)15-10-22-25-19(21-9-14-6-4-3-5-7-14)8-18(24-20(15)25)23-16(11-26)17(28)12-27/h3-8,10,13,16-17,21,26-28H,9,11-12H2,1-2H3,(H,23,24)/t16-,17+/m0/s1",KRIWIRSMQRQYJG-DLBZAZTESA-N,Inhibitor,Inhibition,,,,,pIC50,,7.48,,IC50,,33.0,,=,,,,21080703, cyclin dependent kinase 1,1961,P06493,Human,AZD5438,8473,,16747683,CC(n1c(C)ncc1c1ccnc(n1)Nc1ccc(cc1)S(=O)(=O)C)C,"InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22)",WJRRGYBTGDJBFX-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.8,,IC50,,16.0,,=,CDK1/cyclin B1 complex.,,,19509270, cyclin dependent kinase 1,1961,P06493,Human,zotiraciclib,9095,,16739650,CN1C/C=C/CCOc2cccc(c2)c2nc(Nc3cc(C1)ccc3)ncc2,"InChI=1S/C23H24N4O/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)/b3-2+",VXBAJLGYBMTJCY-NSCUHMNNSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.05,,IC50,,9.0,,=,,,,21860433, cyclin dependent kinase 1,1961,P06493,Human,samuraciclib,9903,,91844733,O[C@H]1CNCC[C@@H]1CNc1cc(NCc2ccccc2)n2c(n1)c(cn2)C(C)C,"InChI=1S/C22H30N6O/c1-15(2)18-13-26-28-21(25-11-16-6-4-3-5-7-16)10-20(27-22(18)28)24-12-17-8-9-23-14-19(17)29/h3-7,10,13,15,17,19,23,25,29H,8-9,11-12,14H2,1-2H3,(H,24,27)/t17-,19+/m1/s1",YCVGLKWJKIKVBI-MJGOQNOKSA-N,Inhibitor,Inhibition,,,,,pIC50,,5.74,,IC50,,1800.0,,=,In a biochemical assay.,,,29545334, cyclin dependent kinase 1,1961,P06493,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,,7.6,,IC50,,25.0,,=,Inhibition of CDK1/cyclinB,,,26606677, cyclin dependent kinase 1,1961,P06493,Human,kinase inhibitor 2 [PMID: 30199702],10081,,134813913,N[C@@H]1CC[C@H](CC1)Nc1nc(NCc2ccc(cc2)c2ccccn2)n2c(n1)c(cn2)C(C)C,"InChI=1S/C26H32N8/c1-17(2)22-16-30-34-24(22)32-25(31-21-12-10-20(27)11-13-21)33-26(34)29-15-18-6-8-19(9-7-18)23-5-3-4-14-28-23/h3-9,14,16-17,20-21H,10-13,15,27H2,1-2H3,(H2,29,31,32,33)/t20-,21-",PRJNNPMIUGYOST-MEMLXQNLSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.15,,IC50,,70.0,,=,CDK1/cyclin B,,,30199702, cyclin dependent kinase 1,1961,P06493,Human,RO3306,10095,,136240579,O=C1N=C(SC1=Cc1ccc2c(c1)cccn2)NCc1cccs1,"InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)",XOLMRFUGOINFDQ-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.33,,IC50,,47.0,,=,In vitro inhibition of human CDK1/cyclin B.,,,30234987, cyclin dependent kinase 1,1961,P06493,Human,CDK inhibitor 4.35,10357,,138105941,NCCSc1nc(NCc2ccc(cc2)c2ccccn2)c2c(n1)c(n[nH]2)C(C)C,"InChI=1S/C22H25N7S/c1-14(2)18-19-20(29-28-18)21(27-22(26-19)30-12-10-23)25-13-15-6-8-16(9-7-15)17-5-3-4-11-24-17/h3-9,11,14H,10,12-13,23H2,1-2H3,(H,28,29)(H,25,26,27)",PCQPAKMJSYGXRE-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pKi,,7.05,,Ki,,90.0,,=,Inhibition of CDK1/cyclin B1 complex.,,,30943029, cyclin dependent kinase 1,1961,P06493,Human,THAL-SNS-032,10547,,131801483,O=C(CN1CCC(CC1)C(=O)Nc1ncc(s1)SCc1ncc(o1)C(C)(C)C)NCCOCCOCCOCCNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O,"InChI=1S/C40H52N8O10S2/c1-40(2,3)29-21-43-32(58-29)24-59-33-22-44-39(60-33)46-35(51)25-9-13-47(14-10-25)23-31(50)42-12-16-56-18-20-57-19-17-55-15-11-41-27-6-4-5-26-34(27)38(54)48(37(26)53)28-7-8-30(49)45-36(28)52/h4-6,21-22,25,28,41H,7-20,23-24H2,1-3H3,(H,42,50)(H,44,46,51)(H,45,49,52)",BXDZOYLPNAIDOC-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,6.77,,IC50,,171.0,,=,Biochemical inhibition of CDK1/CycB.,,,29251720, cyclin dependent kinase 1,1961,P06493,Human,(S)-CR8,11064,,25211051,CC[C@H](Nc1nc(NCc2ccc(cc2)c2ccccn2)c2c(n1)n(cn2)C(C)C)CO,"InChI=1S/C24H29N7O/c1-4-19(14-32)28-24-29-22(21-23(30-24)31(15-27-21)16(2)3)26-13-17-8-10-18(11-9-17)20-7-5-6-12-25-20/h5-12,15-16,19,32H,4,13-14H2,1-3H3,(H2,26,28,29,30)/t19-/m0/s1",HOCBJBNQIQQQGT-IBGZPJMESA-N,Inhibitor,Inhibition,,,,,pIC50,,7.22,,IC50,,60.0,,=,Inhibition of CDK1/cyclin E complex in vitro.,,,18574471, cyclin dependent kinase 1,1961,P06493,Human,(R)-CR8,11065,,10224714,CC[C@@H](Nc1nc(NCc2ccc(cc2)c2ccccn2)c2c(n1)n(cn2)C(C)C)CO,"InChI=1S/C24H29N7O/c1-4-19(14-32)28-24-29-22(21-23(30-24)31(15-27-21)16(2)3)26-13-17-8-10-18(11-9-17)20-7-5-6-12-25-20/h5-12,15-16,19,32H,4,13-14H2,1-3H3,(H2,26,28,29,30)/t19-/m1/s1",HOCBJBNQIQQQGT-LJQANCHMSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.39,,IC50,,41.0,,=,Inhibition of CDK1/cyclin E complex in vitro.,,,18574471, cyclin dependent kinase 1,1961,P06493,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,,9.22,,IC50,,0.6,,=,CDK1/cyclinD1,,,, cyclin dependent kinase 1,1961,P06493,Human,asnuciclib,12074,,71561915,Cc1c(sc(n1)NC)c1nc(ncc1F)Nc1cc(ccc1)S(=O)(=O)N,"InChI=1S/C15H15FN6O2S2/c1-8-13(25-15(18-2)20-8)12-11(16)7-19-14(22-12)21-9-4-3-5-10(6-9)26(17,23)24/h3-7H,1-2H3,(H,18,20)(H2,17,23,24)(H,19,21,22)",GAIOPWBQKZMUNO-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pKi,,8.4,,Ki,,4.0,,=,Inhibition of human recombinant His6 tagged CDK1/Cyclin B expressed in Sf21 insect cells,,,23301767, cyclin dependent kinase 1,1961,P06493,Human,compound 5g [PMID: 36385925],12277,,155409732,O[C@H]1C[C@@H](CCC1)N1C(=O)C2(c3c1nc(nc3)Nc1ccc(cc1)S(=O)(=O)NC([2H])([2H])[2H])CC2,"InChI=1S/C21H25N5O4S/c1-22-31(29,30)16-7-5-13(6-8-16)24-20-23-12-17-18(25-20)26(19(28)21(17)9-10-21)14-3-2-4-15(27)11-14/h5-8,12,14-15,22,27H,2-4,9-11H2,1H3,(H,23,24,25)/t14-,15-/m1/s1/i1D3",AKQOBHZKBDHWQI-BZEFIUHZSA-N,Inhibitor,Inhibition,,,,,pIC50,,6.52,,IC50,,304.0,,=,,,,36385925, cyclin dependent kinase 1,1961,P06493,Human,QR-6401,12511,,167993648,CC(C)(C)N1N=C2C=C1NC3=CC=CC(CO[C@H]4C[C@@H](C4)NC(=O)C[C@@H]5CC[C@H]2C5)=N3,"InChI=1S/C24H33N5O2/c1-24(2,3)29-22-13-20(28-29)16-8-7-15(9-16)10-23(30)26-18-11-19(12-18)31-14-17-5-4-6-21(25-17)27-22/h4-6,13,15-16,18-19H,7-12,14H2,1-3H3,(H,25,27)(H,26,30)/t15-,16+,18-,19-/m1/s1",MMTJVNRCAAQTPS-UKBAYJJMSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.66,,IC50,,22.0,,=,Inhibition of CDK1/cyclin A2,,,36923916,