BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID of Ligand PubChem SID of Ligand ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence PDB ID(s) of Target Chain UniProt (SwissProt) Recommended Name of Target Chain UniProt (SwissProt) Entry Name of Target Chain UniProt (SwissProt) Primary ID of Target Chain UniProt (SwissProt) Secondary ID(s) of Target Chain UniProt (SwissProt) Alternative ID(s) of Target Chain UniProt (TrEMBL) Submitted Name of Target Chain UniProt (TrEMBL) Entry Name of Target Chain UniProt (TrEMBL) Primary ID of Target Chain UniProt (TrEMBL) Secondary ID(s) of Target Chain UniProt (TrEMBL) Alternative ID(s) of Target Chain 66817 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29) PIQCTGMSNWUMAF-UHFFFAOYSA-N 25118 (3Z)-4-amino-5-fluoro-3-[5-(4-methylpiperazino)-1,3-dihydrobenzimidazol-2-ylidene]carbostyril::4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1,2-dihydroquinolin-2-one::CHEMBL522892::CHIR-258 Serine/threonine-protein kinase Nek2 2000 PubChem 10.7270/Q2QC01W0 aid1433 PubChem, PC Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25118 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25118&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 9886808 56374260 CHEMBL522892 5962 ZINC03816310 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 66818 CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+ WVUNYSQLFKLYNI-AATRIKPKSA-N 31090 (E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-ethoxy-6-quinolyl]-4-(dimethylamino)but-2-enamide::(E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide::(E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide::(E)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-3-cyano-7-ethoxy-quinolin-6-yl]-4-(dimethylamino)but-2-enamide::EKB-569::Pelitinib::cid_6445562 Serine/threonine-protein kinase Nek2 680 PubChem 10.7270/Q2QC01W0 aid1433 PubChem, PC Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31090&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 93J 7AXM,5VCW 6445562 252615337 38927 ZINC00602803 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 66819 CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1 InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25) CUIHSIWYWATEQL-UHFFFAOYSA-N 26474 5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)-2-methylbenzene-1-sulfonamide::GW-786034::JMC514632 Compound 13::Pazopanib::cid_10113978 Serine/threonine-protein kinase Nek2 980 PubChem 10.7270/Q2QC01W0 aid1433 PubChem, PC Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26474&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 10113978 56464911 71219 DB06589 5698 ZINC11617039 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 66820 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1 InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1 CTNPALGJUAXMMC-PMFHANACSA-N 31095 5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(2S)-3-morpholin-4-yl-2-oxidanyl-propyl]-1H-pyrrole-3-carboxamide::5-[(Z)-(5-fluoro-2-keto-indolin-3-ylidene)methyl]-N-[(2S)-2-hydroxy-3-morpholino-propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide::5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-2-hydroxy-3-(4-morpholinyl)propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide::5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide::SU-14813::cid_10138259 Serine/threonine-protein kinase Nek2 1100 PubChem 10.7270/Q2QC01W0 aid1433 PubChem, PC Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31095&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 10138259 252615339 ZINC18825344 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 66821 CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m0/s1 HKSZLNNOFSGOKW-HMWZOHBLSA-N 31096 CHEMBL290084::Staurosporine::cid_451705 Serine/threonine-protein kinase Nek2 750 PubChem 10.7270/Q2QC01W0 aid1433 PubChem, PC Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31096 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31096&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 451705 242052841 CHEMBL290084 346 ZINC05615681 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 66822 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- WINHZLLDWRZWRT-ATVHPVEESA-N 4814 CHEMBL535::N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide::N-[2-(diethylamino)ethyl]-5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxamide::SU11248::SUNITINIB::SUNITINIB MALATE::US10464902, Sunitinib::US9163010, Sunitinib::US9914707, SU11248 Serine/threonine-protein kinase Nek2 1400 PubChem 10.7270/Q2QC01W0 aid1433 PubChem, PC Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=4814&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search B49 6NG0,4KS8,3G0F,3G0E,2Y7J,6JOK,6M11,3MIY,3TI1,4QMZ,6V0X,6NFZ,6NFY,4AGD 5329102 8034462 38940 CHEMBL535 DB01268 5713 ZINC03964325 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 412036 Nc1ccc(cn1)-c1ccc2ncc3c(n(-c4cccc(c4)C(F)(F)F)c(=O)[nH]c3=O)c2n1 InChI=1S/C22H13F3N6O2/c23-22(24,25)12-2-1-3-13(8-12)31-19-14(20(32)30-21(31)33)10-27-16-6-5-15(29-18(16)19)11-4-7-17(26)28-9-11/h1-10H,(H2,26,28)(H,30,32,33) OIOOKLQHEDGJOE-UHFFFAOYSA-N 236557 US9365572, 5 Serine/threonine-protein kinase Nek2 >10000 7.5 28.00 C US Patent 10.7270/Q20C4TNC aid1803088 US9365572 Wu, F; Shu, C Xuanzhu Pharma Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=236557 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=236557&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 129012341 340130144 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50074286 CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCN(CC1)C1CCNCC1 InChI=1S/C26H35N9S/c1-36-21-5-3-2-4-20(21)31-25-22-23(24(30-17-29-22)28-16-18-6-7-18)32-26(33-25)35-14-12-34(13-15-35)19-8-10-27-11-9-19/h2-5,17-19,27H,6-16H2,1H3,(H,28,29,30)(H,31,32,33) QEMQWMRZJAAQSZ-UHFFFAOYSA-N 50389320 CHEMBL2063926 Serine/threonine-protein kinase Nek2 <10000 ChEMBL 10.1016/j.bmcl.2012.06.008 10.7270/Q21J9BV6 22795331 Maryanoff, BE; O'Neill, JC; McComsey, DF; Yabut, SC; Luci, DK; Gibbs, AC; Connelly, MA Janssen Pharmaceutical Companies of Johnson & Johnson L.L.C. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389320&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 66552478 160868403 CHEMBL2063926 ZINC84654286 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50073708 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F InChI=1S/C27H27F3N4O3S/c1-16(19-5-3-4-6-20(19)27(28,29)30)36-23-14-24(38-25(23)26(31)35)34-15-32-21-8-7-18(13-22(21)34)37-17-9-11-33(2)12-10-17/h3-8,13-17H,9-12H2,1-2H3,(H2,31,35)/t16-/m1/s1 SWIVJTVGOIXUKC-MRXNPFEDSA-N 28216 5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-1,3-benzodiazol-1-yl}-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide::benzimidazole thiophene carboxamide, 24 Serine/threonine-protein kinase Nek2 160 ChEMBL 10.1021/jm1011726 10.7270/Q2057G7X 21366329 Solanki, S; Innocenti, P; Mas-Droux, C; Boxall, K; Barillari, C; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=28216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=28216&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search WGZ 2XNM 16050925 58097405 ZINC59716256 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50073712 CC(Oc1cc(ccc1C(N)=O)-n1cnc2cc(OC3CCN(C)CC3)ccc12)c1ccccc1C(F)(F)F InChI=1S/C29H29F3N4O3/c1-18(22-5-3-4-6-24(22)29(30,31)32)38-27-15-19(7-9-23(27)28(33)37)36-17-34-25-16-21(8-10-26(25)36)39-20-11-13-35(2)14-12-20/h3-10,15-18,20H,11-14H2,1-2H3,(H2,33,37) FASALJZFFLCNKM-UHFFFAOYSA-N 50339800 (+/-)-4-(5-(1-Methylpiperidin-4-yloxy)-1H-benzo[d]imidazol-1-yl)-2-(1-(2-(trifluoromethyl)phenyl)ethoxy)benzamide::CHEMBL1689165 Serine/threonine-protein kinase Nek2 230 ChEMBL 10.1021/jm1011726 10.7270/Q2057G7X 21366329 Solanki, S; Innocenti, P; Mas-Droux, C; Boxall, K; Barillari, C; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339800&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search WCX 2XNP 51355713 125089902 CHEMBL1689165 ZINC66112154 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50073715 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F InChI=1S/C27H27F3N4O3S/c1-16(19-5-3-4-6-20(19)27(28,29)30)36-23-14-24(38-25(23)26(31)35)34-15-32-21-8-7-18(13-22(21)34)37-17-9-11-33(2)12-10-17/h3-8,13-17H,9-12H2,1-2H3,(H2,31,35)/t16-/m1/s1 SWIVJTVGOIXUKC-MRXNPFEDSA-N 28216 5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-1,3-benzodiazol-1-yl}-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide::benzimidazole thiophene carboxamide, 24 Serine/threonine-protein kinase Nek2 50 ChEMBL 10.1021/jm1011726 10.7270/Q2057G7X 21366329 Solanki, S; Innocenti, P; Mas-Droux, C; Boxall, K; Barillari, C; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=28216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=28216&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search WGZ 2XNM 16050925 58097405 ZINC59716256 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50073717 CC(Oc1cc(ccc1C(N)=O)-n1cnc2cc(OC3CCN(C)CC3)ccc12)c1ccccc1C(F)(F)F InChI=1S/C29H29F3N4O3/c1-18(22-5-3-4-6-24(22)29(30,31)32)38-27-15-19(7-9-23(27)28(33)37)36-17-34-25-16-21(8-10-26(25)36)39-20-11-13-35(2)14-12-20/h3-10,15-18,20H,11-14H2,1-2H3,(H2,33,37) FASALJZFFLCNKM-UHFFFAOYSA-N 50339800 (+/-)-4-(5-(1-Methylpiperidin-4-yloxy)-1H-benzo[d]imidazol-1-yl)-2-(1-(2-(trifluoromethyl)phenyl)ethoxy)benzamide::CHEMBL1689165 Serine/threonine-protein kinase Nek2 910 ChEMBL 10.1021/jm1011726 10.7270/Q2057G7X 21366329 Solanki, S; Innocenti, P; Mas-Droux, C; Boxall, K; Barillari, C; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339800&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search WCX 2XNP 51355713 125089902 CHEMBL1689165 ZINC66112154 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50073718 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F InChI=1S/C27H27F3N4O3S/c1-16(19-5-3-4-6-20(19)27(28,29)30)36-23-14-24(38-25(23)26(31)35)34-15-32-21-8-7-18(13-22(21)34)37-17-9-11-33(2)12-10-17/h3-8,13-17H,9-12H2,1-2H3,(H2,31,35)/t16-/m1/s1 SWIVJTVGOIXUKC-MRXNPFEDSA-N 28216 5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-1,3-benzodiazol-1-yl}-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide::benzimidazole thiophene carboxamide, 24 Serine/threonine-protein kinase Nek2 200 ChEMBL 10.1021/jm1011726 10.7270/Q2057G7X 21366329 Solanki, S; Innocenti, P; Mas-Droux, C; Boxall, K; Barillari, C; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=28216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=28216&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search WGZ 2XNM 16050925 58097405 ZINC59716256 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50079739 Oc1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1 InChI=1S/C17H13N3O/c21-12-5-3-4-11(10-12)19-15-8-9-18-17-16(15)13-6-1-2-7-14(13)20-17/h1-10,21H,(H2,18,19,20) RXPZOSHFGJWSLQ-UHFFFAOYSA-N 50001733 CHEMBL3133821 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1016/j.bmcl.2014.03.002 10.7270/Q2TM7CN0 24650640 Mahmoud, KA; Krug, M; Wersig, T; Slynko, I; Schächtele, C; Totzke, F; Sippl, W; Hilgeroth, A Martin-Luther-University Halle-Wittenberg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001733&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 76332983 242055993 CHEMBL3133821 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50096785 COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1 InChI=1S/C24H20FN3O3S/c1-14-10-19(31-18-6-4-17(30-3)5-7-18)11-15(2)22(14)20-13-32-24(27-20)28-23(29)16-8-9-26-21(25)12-16/h4-13H,1-3H3,(H,27,28,29) JZGFZITYBNEDHQ-UHFFFAOYSA-N 50015314 CHEMBL3263869 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1021/jm401990s 10.7270/Q23J3FH9 24773549 Lee, YS; Chuang, SH; Huang, LY; Lai, CL; Lin, YH; Yang, JY; Liu, CW; Yang, SC; Lin, HS; Chang, CC; Lai, JY; Jian, PS; Lam, K; Chang, JM; Lau, JY; Huang, JJ Development Center for Biotechnology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50015314 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50015314&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 53389651 103927133 CHEMBL3263869 ZINC28761613 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50126999 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 HKSZLNNOFSGOKW-FYTWVXJKSA-N 2579 (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one::CHEMBL388978::Staurosporin, 4::Staurosporine::Staurosporine, 8::US9206188, Staurosporine::US9226923, Staurosporine Serine/threonine-protein kinase Nek2 740 ChEMBL 10.1038/nbt1068 10.7270/Q2V69J3T 15711537 Fabian, MA; Biggs, WH; Treiber, DK; Atteridge, CE; Azimioara, MD; Benedetti, MG; Carter, TA; Ciceri, P; Edeen, PT; Floyd, M; Ford, JM; Galvin, M; Gerlach, JL; Grotzfeld, RM; Herrgard, S; Insko, DE; Insko, MA; Lai, AG; Lelias, JM; Mehta, SA; Milanov, ZV; Velasco, AM; Wodicka, LM; Patel, HK; Zarrinkar, PP; Lockhart, DJ Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=2579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=2579&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search STO 1AQ1,1BYG,1E8Z,1NVR,1NXK,1OKY,1Q3D,1QPD,1QPJ,1SM2,1SNU,1STC,1U59,1WVY,1XBC,1XJD,1YHS,2BUJ,2CLQ,2DQ7,2GCD,2HW7,2ITQ,2ITU,2ITW,2NRY,2OIC 44259 8032349 15738 CHEMBL388978 346 C02079 ZINC03814434 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50166648 C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1 UIARLYUEJFELEN-LROUJFHJSA-N 50308060 16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0^{2,6}.0^{7,27}.0^{8,13}.0^{19,26}.0^{20,25}]octacosa-1(26),2(6),7(27),8(13),9,11,20(25),21,23-nonaen-3-one::CEP-701::CHEMBL603469::US11370779, Compound CEP-701 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1182/blood-2009-05-222034 10.7270/Q2PN95V2 19654408 Zarrinkar, PP; Gunawardane, RN; Cramer, MD; Gardner, MF; Brigham, D; Belli, B; Karaman, MW; Pratz, KW; Pallares, G; Chao, Q; Sprankle, KG; Patel, HK; Levis, M; Armstrong, RC; James, J; Bhagwat, SS Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50308060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50308060&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 2V9 5WNJ,4OTG 126565 104162421 CHEMBL603469 5672 ZINC03781738 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50168898 COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@H]([C@@H](C)C1)C(O)=O InChI=1S/C20H26N4O5/c1-11-10-24(6-5-13(11)20(25)26)19-18(21)22-9-14(23-19)12-7-15(27-2)17(29-4)16(8-12)28-3/h7-9,11,13H,5-6,10H2,1-4H3,(H2,21,22)(H,25,26)/t11-,13+/m0/s1 PKQMCKYXYCALMZ-WCQYABFASA-N 50330595 (+)-(3R,4R)-1-(3-Amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)-3-methylpiperidine-4-carboxylic Acid::(+/-)-(3R,4R)-1-(3-Amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)-3-methylpiperidine-4-carboxylic Acid::CHEMBL1277755 Serine/threonine-protein kinase Nek2 720 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330595&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 49837368 123109710 CHEMBL1277755 ZINC64448884 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50168899 COc1cc(ccc1C(O)=O)-c1nc(cnc1N)-c1cc(OC)c(OC)c(OC)c1 InChI=1S/C21H21N3O6/c1-27-15-7-11(5-6-13(15)21(25)26)18-20(22)23-10-14(24-18)12-8-16(28-2)19(30-4)17(9-12)29-3/h5-10H,1-4H3,(H2,22,23)(H,25,26) QYMUPWSODGEMOO-UHFFFAOYSA-N 50330576 4-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)-2-methoxybenzoic acid::4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methoxybenzoic acid::CHEMBL1230435 Serine/threonine-protein kinase Nek2 1300 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330576 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330576&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 5R1 2XK8 46926532 123109691 CHEMBL1230435 ZINC58638560 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50168902 CCc1ccsc1-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O InChI=1S/C16H20N4O2S/c1-2-10-5-8-23-13(10)12-9-18-14(17)15(19-12)20-6-3-11(4-7-20)16(21)22/h5,8-9,11H,2-4,6-7H2,1H3,(H2,17,18)(H,21,22) SXVAXEOOBRDRSC-UHFFFAOYSA-N 50330574 1-(3-amino-6-(3-ethylthiophen-2-yl)pyrazin-2-yl)piperidine-4-carboxylic acid::CHEMBL1277019 Serine/threonine-protein kinase Nek2 2100 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330574 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330574&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 49837568 123109689 CHEMBL1277019 ZINC64447482 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50168903 COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@H]([C@@H](C)[C@H]1C)C(O)=O InChI=1S/C21H28N4O5/c1-11-12(2)25(7-6-14(11)21(26)27)20-19(22)23-10-15(24-20)13-8-16(28-3)18(30-5)17(9-13)29-4/h8-12,14H,6-7H2,1-5H3,(H2,22,23)(H,26,27)/t11-,12+,14+/m0/s1 YPKLAWUGDWZBMV-OUCADQQQSA-N 50330575 (-)-(2R,3R,4R)-1-(3-Amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)-2,3-dimethylpiperidine-4-carboxylic Acid::CHEMBL1276848 Serine/threonine-protein kinase Nek2 230 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330575 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330575&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 49837564 123109690 CHEMBL1276848 ZINC64453957 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50168904 COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O InChI=1S/C19H24N4O5/c1-26-14-8-12(9-15(27-2)16(14)28-3)13-10-21-17(20)18(22-13)23-6-4-11(5-7-23)19(24)25/h8-11H,4-7H2,1-3H3,(H2,20,21)(H,24,25) FFHSQDAETWTILU-UHFFFAOYSA-N 50330578 1-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)piperidine-4-carboxylic acid::1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid::CHEMBL1231522 Serine/threonine-protein kinase Nek2 870 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330578 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330578&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search BX1 2XKF 46926535 123109693 CHEMBL1231522 ZINC58660889 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50168905 COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)-c1ccc(cc1)C(O)=O InChI=1S/C20H19N3O5/c1-26-15-8-13(9-16(27-2)18(15)28-3)14-10-22-19(21)17(23-14)11-4-6-12(7-5-11)20(24)25/h4-10H,1-3H3,(H2,21,22)(H,24,25) JOVBKEMPKRSFDQ-UHFFFAOYSA-N 50330579 4-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)benzoic acid::4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid::CHEMBL1236145 Serine/threonine-protein kinase Nek2 1600 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330579&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search T3M 2XKD 46926534 123109694 CHEMBL1236145 ZINC58650700 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50168906 COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)-c1ccc(C(O)=O)c(C)c1 InChI=1S/C21H21N3O5/c1-11-7-12(5-6-14(11)21(25)26)18-20(22)23-10-15(24-18)13-8-16(27-2)19(29-4)17(9-13)28-3/h5-10H,1-4H3,(H2,22,23)(H,25,26) AOAAZBKGFGSOFM-UHFFFAOYSA-N 50330577 4-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)-2-methylbenzoic acid::4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methylbenzoic acid::CHEMBL1230337 Serine/threonine-protein kinase Nek2 2600 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330577 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330577&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 4VQ 2XKC 46926533 123109692 CHEMBL1230337 ZINC58632788 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50168907 COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O InChI=1S/C19H24N4O5/c1-26-14-8-12(9-15(27-2)16(14)28-3)13-10-21-17(20)18(22-13)23-6-4-11(5-7-23)19(24)25/h8-11H,4-7H2,1-3H3,(H2,20,21)(H,24,25) FFHSQDAETWTILU-UHFFFAOYSA-N 50330578 1-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)piperidine-4-carboxylic acid::1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid::CHEMBL1231522 Serine/threonine-protein kinase Nek2 410 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330578 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330578&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search BX1 2XKF 46926535 123109693 CHEMBL1231522 ZINC58660889 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50168908 COc1cc(ccc1C(O)=O)-c1nc(cnc1N)-c1cc(OC)c(OC)c(OC)c1 InChI=1S/C21H21N3O6/c1-27-15-7-11(5-6-13(15)21(25)26)18-20(22)23-10-14(24-18)12-8-16(28-2)19(30-4)17(9-12)29-3/h5-10H,1-4H3,(H2,22,23)(H,25,26) QYMUPWSODGEMOO-UHFFFAOYSA-N 50330576 4-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)-2-methoxybenzoic acid::4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methoxybenzoic acid::CHEMBL1230435 Serine/threonine-protein kinase Nek2 2400 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330576 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330576&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 5R1 2XK8 46926532 123109691 CHEMBL1230435 ZINC58638560 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50168909 CCc1ccsc1-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O InChI=1S/C16H20N4O2S/c1-2-10-5-8-23-13(10)12-9-18-14(17)15(19-12)20-6-3-11(4-7-20)16(21)22/h5,8-9,11H,2-4,6-7H2,1H3,(H2,17,18)(H,21,22) SXVAXEOOBRDRSC-UHFFFAOYSA-N 50330574 1-(3-amino-6-(3-ethylthiophen-2-yl)pyrazin-2-yl)piperidine-4-carboxylic acid::CHEMBL1277019 Serine/threonine-protein kinase Nek2 720 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330574 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330574&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 49837568 123109689 CHEMBL1277019 ZINC64447482 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50168910 COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@H]([C@@H](C)[C@H]1C)C(O)=O InChI=1S/C21H28N4O5/c1-11-12(2)25(7-6-14(11)21(26)27)20-19(22)23-10-15(24-20)13-8-16(28-3)18(30-5)17(9-13)29-4/h8-12,14H,6-7H2,1-5H3,(H2,22,23)(H,26,27)/t11-,12+,14+/m0/s1 YPKLAWUGDWZBMV-OUCADQQQSA-N 50330575 (-)-(2R,3R,4R)-1-(3-Amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)-2,3-dimethylpiperidine-4-carboxylic Acid::CHEMBL1276848 Serine/threonine-protein kinase Nek2 200 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330575 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330575&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 49837564 123109690 CHEMBL1276848 ZINC64453957 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50168911 COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)-c1ccc(C(O)=O)c(C)c1 InChI=1S/C21H21N3O5/c1-11-7-12(5-6-14(11)21(25)26)18-20(22)23-10-15(24-18)13-8-16(27-2)19(29-4)17(9-13)28-3/h5-10H,1-4H3,(H2,22,23)(H,25,26) AOAAZBKGFGSOFM-UHFFFAOYSA-N 50330577 4-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)-2-methylbenzoic acid::4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methylbenzoic acid::CHEMBL1230337 Serine/threonine-protein kinase Nek2 2300 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330577 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330577&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 4VQ 2XKC 46926533 123109692 CHEMBL1230337 ZINC58632788 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50168912 COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)-c1ccc(cc1)C(O)=O InChI=1S/C20H19N3O5/c1-26-15-8-13(9-16(27-2)18(15)28-3)14-10-22-19(21)17(23-14)11-4-6-12(7-5-11)20(24)25/h4-10H,1-3H3,(H2,21,22)(H,24,25) JOVBKEMPKRSFDQ-UHFFFAOYSA-N 50330579 4-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)benzoic acid::4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid::CHEMBL1236145 Serine/threonine-protein kinase Nek2 710 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330579&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search T3M 2XKD 46926534 123109694 CHEMBL1236145 ZINC58650700 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50167242 CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1 BMGQWWVMWDBQGC-IIFHNQTCSA-N 50326053 CHEMBL608533::PKC-412 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1182/blood-2009-05-222034 10.7270/Q2PN95V2 19654408 Zarrinkar, PP; Gunawardane, RN; Cramer, MD; Gardner, MF; Brigham, D; Belli, B; Karaman, MW; Pratz, KW; Pallares, G; Chao, Q; Sprankle, KG; Patel, HK; Levis, M; Armstrong, RC; James, J; Bhagwat, SS Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326053&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 2K2 4NCT 9829523 123105168 63452 CHEMBL608533 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50184956 CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1 BMGQWWVMWDBQGC-IIFHNQTCSA-N 50326053 CHEMBL608533::PKC-412 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326053&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 2K2 4NCT 9829523 123105168 63452 CHEMBL608533 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50181015 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 HKSZLNNOFSGOKW-FYTWVXJKSA-N 2579 (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one::CHEMBL388978::Staurosporin, 4::Staurosporine::Staurosporine, 8::US9206188, Staurosporine::US9226923, Staurosporine Serine/threonine-protein kinase Nek2 750 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=2579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=2579&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search STO 1AQ1,1BYG,1E8Z,1NVR,1NXK,1OKY,1Q3D,1QPD,1QPJ,1SM2,1SNU,1STC,1U59,1WVY,1XBC,1XJD,1YHS,2BUJ,2CLQ,2DQ7,2GCD,2HW7,2ITQ,2ITU,2ITW,2NRY,2OIC 44259 8032349 15738 CHEMBL388978 346 C02079 ZINC03814434 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50188714 C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1 UIARLYUEJFELEN-LROUJFHJSA-N 50308060 16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0^{2,6}.0^{7,27}.0^{8,13}.0^{19,26}.0^{20,25}]octacosa-1(26),2(6),7(27),8(13),9,11,20(25),21,23-nonaen-3-one::CEP-701::CHEMBL603469::US11370779, Compound CEP-701 Serine/threonine-protein kinase Nek2 4900 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50308060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50308060&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 2V9 5WNJ,4OTG 126565 104162421 CHEMBL603469 5672 ZINC03781738 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50194777 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28- XZXHXSATPCNXJR-ZIADKAODSA-N 50026612 BIBF-1120::Nintedanib::US10981896, Compound Nintedanib::US11046672, Nintedanib::US11208381, Nintedanib::Vargatef Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50026612 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50026612&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search XIN 5MAF,6NEC,3C7Q,5TE0 9809715 277286638 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50216545 C[C@@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)c1ccccc1C(F)(F)F InChI=1S/C28H27F3N4O2S/c1-16(20-6-4-5-7-23(20)28(29,30)31)37-24-12-18(8-9-21(24)27(33)36)22-11-19(13-34-26(22)32)25-10-17(15-38-25)14-35(2)3/h4-13,15-16H,14H2,1-3H3,(H2,32,34)(H2,33,36)/t16-/m1/s1 DNZGEPPZYMAFLN-MRXNPFEDSA-N 50385916 CHEMBL2042136 Serine/threonine-protein kinase Nek2 37 ChEMBL 10.1021/jm201683b 10.7270/Q2Q81F4F 22404346 Innocenti, P; Cheung, KM; Solanki, S; Mas-Droux, C; Rowan, F; Yeoh, S; Boxall, K; Westlake, M; Pickard, L; Hardy, T; Baxter, JE; Aherne, GW; Bayliss, R; Fry, AM; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385916&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search JUP 4A4X 56947168 160864999 CHEMBL2042136 ZINC84655195 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50216546 C[C@@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)\C=C/C(F)(F)F InChI=1S/C24H25F3N4O2S/c1-14(6-7-24(25,26)27)33-20-10-16(4-5-18(20)23(29)32)19-9-17(11-30-22(19)28)21-8-15(13-34-21)12-31(2)3/h4-11,13-14H,12H2,1-3H3,(H2,28,30)(H2,29,32)/b7-6-/t14-/m1/s1 LLEOOSLUHRQCHZ-LMVHVUTASA-N 50385915 CHEMBL2042135 Serine/threonine-protein kinase Nek2 22 ChEMBL 10.1021/jm201683b 10.7270/Q2Q81F4F 22404346 Innocenti, P; Cheung, KM; Solanki, S; Mas-Droux, C; Rowan, F; Yeoh, S; Boxall, K; Westlake, M; Pickard, L; Hardy, T; Baxter, JE; Aherne, GW; Bayliss, R; Fry, AM; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385915&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search GGY 4AFE 56947170 160864998 CHEMBL2042135 ZINC84655247 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50216549 C[C@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)\C=C/C(F)(F)F InChI=1S/C24H25F3N4O2S/c1-14(6-7-24(25,26)27)33-20-10-16(4-5-18(20)23(29)32)19-9-17(11-30-22(19)28)21-8-15(13-34-21)12-31(2)3/h4-11,13-14H,12H2,1-3H3,(H2,28,30)(H2,29,32)/b7-6-/t14-/m0/s1 LLEOOSLUHRQCHZ-AFNCTOJWSA-N 50385914 CHEMBL2042042 Serine/threonine-protein kinase Nek2 73 ChEMBL 10.1021/jm201683b 10.7270/Q2Q81F4F 22404346 Innocenti, P; Cheung, KM; Solanki, S; Mas-Droux, C; Rowan, F; Yeoh, S; Boxall, K; Westlake, M; Pickard, L; Hardy, T; Baxter, JE; Aherne, GW; Bayliss, R; Fry, AM; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385914&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 57387301 160864997 CHEMBL2042042 ZINC84711742 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50216550 C[C@@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)c1ccccc1C(F)(F)F InChI=1S/C28H27F3N4O2S/c1-16(20-6-4-5-7-23(20)28(29,30)31)37-24-12-18(8-9-21(24)27(33)36)22-11-19(13-34-26(22)32)25-10-17(15-38-25)14-35(2)3/h4-13,15-16H,14H2,1-3H3,(H2,32,34)(H2,33,36)/t16-/m1/s1 DNZGEPPZYMAFLN-MRXNPFEDSA-N 50385916 CHEMBL2042136 Serine/threonine-protein kinase Nek2 59 ChEMBL 10.1021/jm201683b 10.7270/Q2Q81F4F 22404346 Innocenti, P; Cheung, KM; Solanki, S; Mas-Droux, C; Rowan, F; Yeoh, S; Boxall, K; Westlake, M; Pickard, L; Hardy, T; Baxter, JE; Aherne, GW; Bayliss, R; Fry, AM; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385916&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search JUP 4A4X 56947168 160864999 CHEMBL2042136 ZINC84655195 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50214501 Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1 InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25) JVAFTPDILUBIGR-UHFFFAOYSA-N 50335188 CHEMBL1650545::CHEMBL1650551::N-[3-[(3,3-Difluoro-1-pyrrolidinyl)methyl]-5-isothiazolyl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine Hydrochloride Serine/threonine-protein kinase Nek2 >100 ChEMBL 10.1021/jm1010995 10.7270/Q2VM4D76 21128646 Kerekes, AD; Esposite, SJ; Tagat, JR; Xiao, Y; Terracina, GA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335188 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335188&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 25145145 125085290 CHEMBL1650545CHEMBL1650551 ZINC66101759 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50227996 CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1 BMGQWWVMWDBQGC-IIFHNQTCSA-N 50326053 CHEMBL608533::PKC-412 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326053&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 2K2 4NCT 9829523 123105168 63452 CHEMBL608533 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50230339 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 HKSZLNNOFSGOKW-FYTWVXJKSA-N 2579 (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one::CHEMBL388978::Staurosporin, 4::Staurosporine::Staurosporine, 8::US9206188, Staurosporine::US9226923, Staurosporine Serine/threonine-protein kinase Nek2 750 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=2579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=2579&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search STO 1AQ1,1BYG,1E8Z,1NVR,1NXK,1OKY,1Q3D,1QPD,1QPJ,1SM2,1SNU,1STC,1U59,1WVY,1XBC,1XJD,1YHS,2BUJ,2CLQ,2DQ7,2GCD,2HW7,2ITQ,2ITU,2ITW,2NRY,2OIC 44259 8032349 15738 CHEMBL388978 346 C02079 ZINC03814434 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50244390 CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@H](C1)C(=O)Nc1ccc(O)c(Cl)c1 InChI=1S/C25H29ClN4O4/c1-17(31)18-2-5-21(6-3-18)29-10-12-30(13-11-29)24(33)16-28-9-8-19(15-28)25(34)27-20-4-7-23(32)22(26)14-20/h2-7,14,19,32H,8-13,15-16H2,1H3,(H,27,34)/t19-/m1/s1 YPNCCYRKEHPJMN-LJQANCHMSA-N 50030881 CHEMBL3356117 Serine/threonine-protein kinase Nek2 >30000 ChEMBL 10.1021/jm500847m 10.7270/Q2Q52R6D 25313996 Deng, Y; Shipps, GW; Cooper, A; English, JM; Annis, DA; Carr, D; Nan, Y; Wang, T; Zhu, HY; Chuang, CC; Dayananth, P; Hruza, AW; Xiao, L; Jin, W; Kirschmeier, P; Windsor, WT; Samatar, AA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50030881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50030881&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 3G7 4QYY 58985201 313065931 CHEMBL3356117 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50268501 Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1 InChI=1S/C23H21ClN4O/c24-18-3-1-17(2-4-18)21-9-10-22(29-21)23-26-13-16-28(23)20-7-5-19(6-8-20)27-14-11-25-12-15-27/h1-10,13,16,25H,11-12,14-15H2 SLLRTLCGZRODTB-UHFFFAOYSA-N 50045370 CHEMBL3314140 Serine/threonine-protein kinase Nek2 >30000 ChEMBL 10.1016/j.bmcl.2014.05.024 10.7270/Q2F47QR7 24913714 Xiao, D; Zhu, X; Sofolarides, M; Degrado, S; Shao, N; Rao, A; Chen, X; Aslanian, R; Fossetta, J; Tian, F; Trivedi, P; Lundell, D; Palani, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50045370 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50045370&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 91971978 103976419 CHEMBL3314140 ZINC13282471 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50265785 CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+ WVUNYSQLFKLYNI-AATRIKPKSA-N 31090 (E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-ethoxy-6-quinolyl]-4-(dimethylamino)but-2-enamide::(E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide::(E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide::(E)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-3-cyano-7-ethoxy-quinolin-6-yl]-4-(dimethylamino)but-2-enamide::EKB-569::Pelitinib::cid_6445562 Serine/threonine-protein kinase Nek2 661 ChEMBL 10.1021/jm401719n 10.7270/Q2GB25NR 24517277 Frett, B; Brown, RV; Ma, M; Hu, W; Han, H; Li, HY The University of Arizona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31090&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 93J 7AXM,5VCW 6445562 252615337 38927 ZINC00602803 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50265787 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+ JWNPDZNEKVCWMY-VQHVLOKHSA-N 50161957 4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(pyridin-2-ylmethoxy)-phenylamino]-3-cyano-7-ethoxy-quinolin-6-yl}-amide::CHEMBL180022::HKI-272::N-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide::N-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide::NERATINIB::US10822334, Compound Neratinib Serine/threonine-protein kinase Nek2 274 ChEMBL 10.1021/jm401719n 10.7270/Q2GB25NR 24517277 Frett, B; Brown, RV; Ma, M; Hu, W; Han, H; Li, HY The University of Arizona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50161957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50161957&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 9915743 104048227 CHEMBL180022 5686 ZINC03916214 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50296355 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- WINHZLLDWRZWRT-ATVHPVEESA-N 4814 CHEMBL535::N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide::N-[2-(diethylamino)ethyl]-5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxamide::SU11248::SUNITINIB::SUNITINIB MALATE::US10464902, Sunitinib::US9163010, Sunitinib::US9914707, SU11248 Serine/threonine-protein kinase Nek2 500 ChEMBL 10.1038/nbt1068 10.7270/Q2V69J3T 15711537 Fabian, MA; Biggs, WH; Treiber, DK; Atteridge, CE; Azimioara, MD; Benedetti, MG; Carter, TA; Ciceri, P; Edeen, PT; Floyd, M; Ford, JM; Galvin, M; Gerlach, JL; Grotzfeld, RM; Herrgard, S; Insko, DE; Insko, MA; Lai, AG; Lelias, JM; Mehta, SA; Milanov, ZV; Velasco, AM; Wodicka, LM; Patel, HK; Zarrinkar, PP; Lockhart, DJ Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=4814&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search B49 6NG0,4KS8,3G0F,3G0E,2Y7J,6JOK,6M11,3MIY,3TI1,4QMZ,6V0X,6NFZ,6NFY,4AGD 5329102 8034462 38940 CHEMBL535 DB01268 5713 ZINC03964325 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50367479 COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25) CZGMEOAMQWAJOY-UHFFFAOYSA-N 47167 CHEMBL201511::US8957103, Z1::US9364459, A Serine/threonine-protein kinase Nek2 >100000 ChEMBL 10.1021/jm0609871 10.7270/Q2NZ8794 17149885 Peifer, C; Krasowski, A; Hammerle, N; Kohlbacher, O; Dannhardt, G; Totzke, F; Schachtele, C; Laufer, S Eberhard-Karls University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47167 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=47167&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 11530963 252148178 CHEMBL201511 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50441310 O=C(Nc1c[nH]c2ncc(cc12)-c1ccc(cc1)C#N)c1cccnc1 InChI=1S/C20H13N5O/c21-9-13-3-5-14(6-4-13)16-8-17-18(12-24-19(17)23-11-16)25-20(26)15-2-1-7-22-10-15/h1-8,10-12H,(H,23,24)(H,25,26) JTSLALYXYSRPGW-UHFFFAOYSA-N 50273541 CHEMBL516312::N-(5-(4-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)nicotinamide Serine/threonine-protein kinase Nek2 483 ChEMBL 10.1021/jm8011036 10.7270/Q2WS8T4C 19035792 Bamborough, P; Drewry, D; Harper, G; Smith, GK; Schneider, K GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273541&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search LKB 5L4Q 44588117 104117611 CHEMBL516312 ZINC40847911 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50448088 Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F InChI=1S/C22H15F2N5O3S/c1-29-20-13(9-19(21(29)30)33(31,32)18-5-2-14(23)10-16(18)24)11-26-22(28-20)27-15-3-4-17-12(8-15)6-7-25-17/h2-11,25H,1H3,(H,26,27,28) ZEHBZHZMQSHZFI-UHFFFAOYSA-N 50135286 CHEMBL3745885 Serine/threonine-protein kinase Nek2 1830 ChEMBL 10.1016/j.bmc.2015.11.045 10.7270/Q24Q7WT8 26762835 Reddy, MV; Akula, B; Jatiani, S; Vasquez-Del Carpio, R; Billa, VK; Mallireddigari, MR; Cosenza, SC; Venkata Subbaiah, DR; Bharathi, EV; Pallela, VR; Ramkumar, P; Jain, R; Aggarwal, AK; Reddy, EP Icahn School of Medicine at Mount Sinai http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50135286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50135286&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 67240318 336951802 CHEMBL3745885 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50546366 NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12 InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28) JPOSFPUHBHRUAX-UHFFFAOYSA-N 50305006 5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine::CHEMBL590109 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1016/j.bmcl.2009.10.103 10.7270/Q2VD6ZJJ 19926477 Harris, CM; Ericsson, AM; Argiriadi, MA; Barberis, C; Borhani, DW; Burchat, A; Calderwood, DJ; Cunha, GA; Dixon, RW; Frank, KE; Johnson, EF; Kamens, J; Kwak, S; Li, B; Mullen, KD; Perron, DC; Wang, L; Wishart, N; Wu, X; Zhang, X; Zmetra, TR; Talanian, RV Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305006 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305006&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 46224684 104159367 CHEMBL590109 ZINC45335993 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50571291 O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1 InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37) XKZQZMSAWVDRSP-UHFFFAOYSA-N 50315888 CHEMBL1090360::N-(3-(5-(2-(3-morpholinophenylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)-2-phenylacetamide Serine/threonine-protein kinase Nek2 310 ChEMBL 10.1016/j.bmcl.2010.03.015 10.7270/Q2M908VT 20346655 Fidanze, SD; Erickson, SA; Wang, GT; Mantei, R; Clark, RF; Sorensen, BK; Bamaung, NY; Kovar, P; Johnson, EF; Swinger, KK; Stewart, KD; Zhang, Q; Tucker, LA; Pappano, WN; Wilsbacher, JL; Wang, J; Sheppard, GS; Bell, RL; Davidsen, SK; Hubbard, RD Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315888&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 46886323 104150249 CHEMBL1090360 ZINC49793657 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50595925 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) MLDQJTXFUGDVEO-UHFFFAOYSA-N 16673 4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide::4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-picolinamide;tosylic acid::BAY 43-9006::BAY 439006::BAY439006::CHEMBL1336::Hit compound, 8::Nexavar::Sorafenib::Sorafenib, 4::US10183928, Sorafenib::US10202365, Compound Sorafenib::US10227329, Compound Sorafenib::US10584114, Compound Sorafenib::US10774070, Compound Sorafenib::US10980809, Example Sorafenib::US11279688, Compound Sorafenib::US11505527, Compound Sorafenib::US9029401, Sorafenib::US9469639, Sorafenib::US9902709, Comparative example 1::Xarelto::cid_216239 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1182/blood-2009-05-222034 10.7270/Q2PN95V2 19654408 Zarrinkar, PP; Gunawardane, RN; Cramer, MD; Gardner, MF; Brigham, D; Belli, B; Karaman, MW; Pratz, KW; Pallares, G; Chao, Q; Sprankle, KG; Patel, HK; Levis, M; Armstrong, RC; James, J; Bhagwat, SS Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16673 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16673&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search BAX 3GCS,4ASD,3WZE,5HI2,3HEG,1UWH,1UWJ,3RGF 216239 46516901 50924 CHEMBL1336 DB00398 5711 ZINC01493878 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50596287 CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 InChI=1S/C35H30N4O5/c1-35-31(43-3)23(37(2)34(42)18-11-5-4-6-12-18)17-24(44-35)38-21-15-9-7-13-19(21)25-27-28(33(41)36-32(27)40)26-20-14-8-10-16-22(20)39(35)30(26)29(25)38/h4-16,23-24,31,33,41H,17H2,1-3H3,(H,36,40)/t23-,24-,31-,33+,35+/m1/s1 ZZSBPGIGIUFJRA-AKIDMACVSA-N 50326054 CHEMBL1240703 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1182/blood-2009-05-222034 10.7270/Q2PN95V2 19654408 Zarrinkar, PP; Gunawardane, RN; Cramer, MD; Gardner, MF; Brigham, D; Belli, B; Karaman, MW; Pratz, KW; Pallares, G; Chao, Q; Sprankle, KG; Patel, HK; Levis, M; Armstrong, RC; James, J; Bhagwat, SS Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326054&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 52945601 123105169 CHEMBL1240703 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50594774 CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1 InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36) CVWXJKQAOSCOAB-UHFFFAOYSA-N 50300690 1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morpholin-4-Yl)ethoxy]imidazo[2,1-B][1,3]benzothiazol-2-Yl}phenyl)urea::AC 010220::AC 220::AC-220::AC010220::AC220::ASP-2689::CHEMBL576982::N-(5-tert-Butyl-isoxazol-3-yl)-N'-{4-[7-(2-morpholin-4-yl-ethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl}urea::Quizartinib::Quizartinib (AC220)::US10266535, Compound AC220::US11542261, Compound quizartinib::US9216997, Quizartinib (positive compound) Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1182/blood-2009-05-222034 10.7270/Q2PN95V2 19654408 Zarrinkar, PP; Gunawardane, RN; Cramer, MD; Gardner, MF; Brigham, D; Belli, B; Karaman, MW; Pratz, KW; Pallares, G; Chao, Q; Sprankle, KG; Patel, HK; Levis, M; Armstrong, RC; James, J; Bhagwat, SS Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300690&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search P30 4XUF,4RT7 24889392 104155051 CHEMBL576982 5658 ZINC43204002 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50595133 COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1 InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38) UXXQOJXBIDBUAC-UHFFFAOYSA-N 13535 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide::4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-[4-(1-methylethoxy)phenyl]piperazine-1-carboxamide::4-[6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl]-N-(4-propan-2-yloxyphenyl)-1-piperazinecarboxamide::4-{6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-yl}-N-[4-(propan-2-yloxy)phenyl]piperazine-1-carboxamide::CHEMBL124660::MLN-518::MLN518::N-(4-isopropoxyphenyl)-4-[6-methoxy-7-(3-piperidinopropoxy)quinazolin-4-yl]piperazine-1-carboxamide::cid_3038522 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1182/blood-2009-05-222034 10.7270/Q2PN95V2 19654408 Zarrinkar, PP; Gunawardane, RN; Cramer, MD; Gardner, MF; Brigham, D; Belli, B; Karaman, MW; Pratz, KW; Pallares, G; Chao, Q; Sprankle, KG; Patel, HK; Levis, M; Armstrong, RC; James, J; Bhagwat, SS Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13535&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 3038522 46513936 CHEMBL124660 DB05465 ZINC03966243 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50596800 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- WINHZLLDWRZWRT-ATVHPVEESA-N 4814 CHEMBL535::N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide::N-[2-(diethylamino)ethyl]-5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxamide::SU11248::SUNITINIB::SUNITINIB MALATE::US10464902, Sunitinib::US9163010, Sunitinib::US9914707, SU11248 Serine/threonine-protein kinase Nek2 1400 ChEMBL 10.1182/blood-2009-05-222034 10.7270/Q2PN95V2 19654408 Zarrinkar, PP; Gunawardane, RN; Cramer, MD; Gardner, MF; Brigham, D; Belli, B; Karaman, MW; Pratz, KW; Pallares, G; Chao, Q; Sprankle, KG; Patel, HK; Levis, M; Armstrong, RC; James, J; Bhagwat, SS Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=4814&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search B49 6NG0,4KS8,3G0F,3G0E,2Y7J,6JOK,6M11,3MIY,3TI1,4QMZ,6V0X,6NFZ,6NFY,4AGD 5329102 8034462 38940 CHEMBL535 DB01268 5713 ZINC03964325 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50608426 CCc1ccsc1-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O InChI=1S/C16H20N4O2S/c1-2-10-5-8-23-13(10)12-9-18-14(17)15(19-12)20-6-3-11(4-7-20)16(21)22/h5,8-9,11H,2-4,6-7H2,1H3,(H2,17,18)(H,21,22) SXVAXEOOBRDRSC-UHFFFAOYSA-N 50330574 1-(3-amino-6-(3-ethylthiophen-2-yl)pyrazin-2-yl)piperidine-4-carboxylic acid::CHEMBL1277019 Serine/threonine-protein kinase Nek2 1900 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330574 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330574&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 49837568 123109689 CHEMBL1277019 ZINC64447482 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50608428 COc1cc(ccc1C(O)=O)-c1nc(cnc1N)-c1cc(OC)c(OC)c(OC)c1 InChI=1S/C21H21N3O6/c1-27-15-7-11(5-6-13(15)21(25)26)18-20(22)23-10-14(24-18)12-8-16(28-2)19(30-4)17(9-12)29-3/h5-10H,1-4H3,(H2,22,23)(H,25,26) QYMUPWSODGEMOO-UHFFFAOYSA-N 50330576 4-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)-2-methoxybenzoic acid::4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methoxybenzoic acid::CHEMBL1230435 Serine/threonine-protein kinase Nek2 2500 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330576 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330576&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 5R1 2XK8 46926532 123109691 CHEMBL1230435 ZINC58638560 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50608430 COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O InChI=1S/C19H24N4O5/c1-26-14-8-12(9-15(27-2)16(14)28-3)13-10-21-17(20)18(22-13)23-6-4-11(5-7-23)19(24)25/h8-11H,4-7H2,1-3H3,(H2,20,21)(H,24,25) FFHSQDAETWTILU-UHFFFAOYSA-N 50330578 1-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)piperidine-4-carboxylic acid::1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid::CHEMBL1231522 Serine/threonine-protein kinase Nek2 940 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330578 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330578&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search BX1 2XKF 46926535 123109693 CHEMBL1231522 ZINC58660889 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50608432 COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@H]([C@@H](C)[C@H]1C)C(O)=O InChI=1S/C21H28N4O5/c1-11-12(2)25(7-6-14(11)21(26)27)20-19(22)23-10-15(24-20)13-8-16(28-3)18(30-5)17(9-13)29-4/h8-12,14H,6-7H2,1-5H3,(H2,22,23)(H,26,27)/t11-,12+,14+/m0/s1 YPKLAWUGDWZBMV-OUCADQQQSA-N 50330575 (-)-(2R,3R,4R)-1-(3-Amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)-2,3-dimethylpiperidine-4-carboxylic Acid::CHEMBL1276848 Serine/threonine-protein kinase Nek2 300 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330575 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330575&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 49837564 123109690 CHEMBL1276848 ZINC64453957 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50608435 COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)-c1ccc(C(O)=O)c(C)c1 InChI=1S/C21H21N3O5/c1-11-7-12(5-6-14(11)21(25)26)18-20(22)23-10-15(24-18)13-8-16(27-2)19(29-4)17(9-13)28-3/h5-10H,1-4H3,(H2,22,23)(H,25,26) AOAAZBKGFGSOFM-UHFFFAOYSA-N 50330577 4-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)-2-methylbenzoic acid::4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methylbenzoic acid::CHEMBL1230337 Serine/threonine-protein kinase Nek2 1200 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330577 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330577&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 4VQ 2XKC 46926533 123109692 CHEMBL1230337 ZINC58632788 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50608444 Nc1ncc(nc1N1CCC(CC1)C(O)=O)-c1sccc1C1CCCC1 InChI=1S/C19H24N4O2S/c20-17-18(23-8-5-13(6-9-23)19(24)25)22-15(11-21-17)16-14(7-10-26-16)12-3-1-2-4-12/h7,10-13H,1-6,8-9H2,(H2,20,21)(H,24,25) OQVDJZCMGJNDQU-UHFFFAOYSA-N 50330580 1-(3-amino-6-(3-cyclopentylthiophen-2-yl)pyrazin-2-yl)piperidine-4-carboxylic acid::CHEMBL1277021 Serine/threonine-protein kinase Nek2 3400 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330580 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330580&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 49837570 123109695 CHEMBL1277021 ZINC64453798 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50608445 Nc1ncc(nc1N1CCC(CC1)C(O)=O)-c1cccs1 InChI=1S/C14H16N4O2S/c15-12-13(18-5-3-9(4-6-18)14(19)20)17-10(8-16-12)11-2-1-7-21-11/h1-2,7-9H,3-6H2,(H2,15,16)(H,19,20) ZMYDVMMPXVPFBD-UHFFFAOYSA-N 50330581 1-(3-amino-6-(thiophen-2-yl)pyrazin-2-yl)piperidine-4-carboxylic acid::CHEMBL1276936 Serine/threonine-protein kinase Nek2 4300 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330581 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330581&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 49837567 123109696 CHEMBL1276936 ZINC64447630 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50608447 Nc1ncc(nc1N1CCC(CC1)C(O)=O)-c1ccsc1 InChI=1S/C14H16N4O2S/c15-12-13(18-4-1-9(2-5-18)14(19)20)17-11(7-16-12)10-3-6-21-8-10/h3,6-9H,1-2,4-5H2,(H2,15,16)(H,19,20) JXUGAFLZJNWCFB-UHFFFAOYSA-N 50330582 1-(3-amino-6-(thiophen-3-yl)pyrazin-2-yl)piperidine-4-carboxylic acid::CHEMBL1276935 Serine/threonine-protein kinase Nek2 7200 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330582 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330582&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 49837566 123109697 CHEMBL1276935 ZINC64393111 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50608448 COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@@H]([C@H](C)[C@@H]1C)C(O)=O InChI=1S/C21H28N4O5/c1-11-12(2)25(7-6-14(11)21(26)27)20-19(22)23-10-15(24-20)13-8-16(28-3)18(30-5)17(9-13)29-4/h8-12,14H,6-7H2,1-5H3,(H2,22,23)(H,26,27)/t11-,12+,14+/m1/s1 YPKLAWUGDWZBMV-DYEKYZERSA-N 50330583 (+)-(2S,3S,4S)-1-(3-Amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)-2,3-dimethylpiperidine-4-carboxylic Acid::CHEMBL1276934 Serine/threonine-protein kinase Nek2 3400 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330583 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330583&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 49837565 123109698 CHEMBL1276934 ZINC64447629 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50608449 CCC[C@@H]1C[C@@H](CCN1c1nc(cnc1N)-c1cc(OC)c(OC)c(OC)c1)C(O)=O InChI=1S/C22H30N4O5/c1-5-6-15-9-13(22(27)28)7-8-26(15)21-20(23)24-12-16(25-21)14-10-17(29-2)19(31-4)18(11-14)30-3/h10-13,15H,5-9H2,1-4H3,(H2,23,24)(H,27,28)/t13-,15-/m1/s1 IHLINQCDPJHLCN-UKRRQHHQSA-N 50330584 (+/-)-(2R,4R)-1-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)-2-propylpiperidine-4-carboxylic acid::CHEMBL1276847 Serine/threonine-protein kinase Nek2 5400 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330584 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330584&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 49837478 123109699 CHEMBL1276847 ZINC64447614 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50608450 COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@H](C[C@H]1C(C)C)C(O)=O InChI=1S/C22H30N4O5/c1-12(2)16-8-13(22(27)28)6-7-26(16)21-20(23)24-11-15(25-21)14-9-17(29-3)19(31-5)18(10-14)30-4/h9-13,16H,6-8H2,1-5H3,(H2,23,24)(H,27,28)/t13-,16+/m1/s1 HUMDHAUOLYSYKZ-CJNGLKHVSA-N 50330585 (+/-)-(2S,4R)-1-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)-2-isopropylpiperidine-4-carboxylic acid::CHEMBL1278190 Serine/threonine-protein kinase Nek2 5900 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330585 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330585&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 49837477 123109700 CHEMBL1278190 ZINC64436831 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50608451 CC[C@@H]1C[C@@H](CCN1c1nc(cnc1N)-c1cc(OC)c(OC)c(OC)c1)C(O)=O InChI=1S/C21H28N4O5/c1-5-14-8-12(21(26)27)6-7-25(14)20-19(22)23-11-15(24-20)13-9-16(28-2)18(30-4)17(10-13)29-3/h9-12,14H,5-8H2,1-4H3,(H2,22,23)(H,26,27)/t12-,14-/m1/s1 AGQRWDQPWFGOGL-TZMCWYRMSA-N 50330586 (+/-)-(2R,4R)-1-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)-2-ethylpiperidine-4-carboxylic acid::CHEMBL1278189 Serine/threonine-protein kinase Nek2 1400 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330586&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 49837476 123109701 CHEMBL1278189 ZINC64436822 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50608452 COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@H](C[C@H]1C)C(O)=O InChI=1S/C20H26N4O5/c1-11-7-12(20(25)26)5-6-24(11)19-18(21)22-10-14(23-19)13-8-15(27-2)17(29-4)16(9-13)28-3/h8-12H,5-7H2,1-4H3,(H2,21,22)(H,25,26)/t11-,12-/m1/s1 RVWJCSFZCNKORI-VXGBXAGGSA-N 50330587 (+/-)-(2R,4R)-1-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)-2-methylpiperidine-4-carboxylic acid::CHEMBL1278099 Serine/threonine-protein kinase Nek2 1200 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330587 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330587&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 49837475 123109702 CHEMBL1278099 ZINC64447299 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50608453 COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@H]([C@H](C1)C1CC1)C(O)=O InChI=1S/C22H28N4O5/c1-29-17-8-13(9-18(30-2)19(17)31-3)16-10-24-20(23)21(25-16)26-7-6-14(22(27)28)15(11-26)12-4-5-12/h8-10,12,14-15H,4-7,11H2,1-3H3,(H2,23,24)(H,27,28)/t14-,15-/m1/s1 VULRUXSWMVFYTN-HUUCEWRRSA-N 50330588 (+/-)-(3R,4R)-1-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)-3-cyclopropylpiperidine-4-carboxylic acid::CHEMBL1278098 Serine/threonine-protein kinase Nek2 38300 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330588 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330588&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 49837474 123109703 CHEMBL1278098 ZINC64447297 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50608454 CC[C@H]1CN(CC[C@@H]1C(O)=O)c1nc(cnc1N)-c1cc(OC)c(OC)c(OC)c1 InChI=1S/C21H28N4O5/c1-5-12-11-25(7-6-14(12)21(26)27)20-19(22)23-10-15(24-20)13-8-16(28-2)18(30-4)17(9-13)29-3/h8-10,12,14H,5-7,11H2,1-4H3,(H2,22,23)(H,26,27)/t12-,14-/m0/s1 MQOJTCBESRAKQA-JSGCOSHPSA-N 50330589 (+/-)(3R,4S)-1-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)-3-ethylpiperidine-4-carboxylic acid::CHEMBL1278006 Serine/threonine-protein kinase Nek2 11300 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330589 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330589&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 49837372 123109704 CHEMBL1278006 ZINC64447921 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50608455 CCC[C@H]1CN(CC[C@H]1C(O)=O)c1nc(cnc1N)-c1cc(OC)c(OC)c(OC)c1 InChI=1S/C22H30N4O5/c1-5-6-13-12-26(8-7-15(13)22(27)28)21-20(23)24-11-16(25-21)14-9-17(29-2)19(31-4)18(10-14)30-3/h9-11,13,15H,5-8,12H2,1-4H3,(H2,23,24)(H,27,28)/t13-,15+/m0/s1 IPSJPXNBIGFVLY-DZGCQCFKSA-N 50330590 (+/-)(3R,4R)-1-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)-3-propylpiperidine-4-carboxylic acid::CHEMBL1278007 Serine/threonine-protein kinase Nek2 11200 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330590 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330590&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 49837473 123109705 CHEMBL1278007 ZINC64447922 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50608456 CC[C@H]1CN(CC[C@H]1C(O)=O)c1nc(cnc1N)-c1cc(OC)c(OC)c(OC)c1 InChI=1S/C21H28N4O5/c1-5-12-11-25(7-6-14(12)21(26)27)20-19(22)23-10-15(24-20)13-8-16(28-2)18(30-4)17(9-13)29-3/h8-10,12,14H,5-7,11H2,1-4H3,(H2,22,23)(H,26,27)/t12-,14+/m0/s1 MQOJTCBESRAKQA-GXTWGEPZSA-N 50330591 (+/-)(3R,4R)-1-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)-3-ethylpiperidine-4-carboxylic acid::(3R,4R)-1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-3-ethylpiperidine-4-carboxylic acid::CHEMBL1230011 Serine/threonine-protein kinase Nek2 1500 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330591 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330591&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 30E 2XK7 49837371 123109706 CHEMBL1230011 ZINC58632737 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50608457 COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@@H]([C@@H](C)C1)C(O)=O InChI=1S/C20H26N4O5/c1-11-10-24(6-5-13(11)20(25)26)19-18(21)22-9-14(23-19)12-7-15(27-2)17(29-4)16(8-12)28-3/h7-9,11,13H,5-6,10H2,1-4H3,(H2,21,22)(H,25,26)/t11-,13-/m0/s1 PKQMCKYXYCALMZ-AAEUAGOBSA-N 50330592 (+/-)-(3R,4S)-1-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid::CHEMBL1277922 Serine/threonine-protein kinase Nek2 2700 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330592 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330592&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 49837370 123109707 CHEMBL1277922 ZINC64390571 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50608458 CCOc1cc(ccc1C(O)=O)-c1nc(cnc1N)-c1cc(OC)c(OC)c(OC)c1 InChI=1S/C22H23N3O6/c1-5-31-16-8-12(6-7-14(16)22(26)27)19-21(23)24-11-15(25-19)13-9-17(28-2)20(30-4)18(10-13)29-3/h6-11H,5H2,1-4H3,(H2,23,24)(H,26,27) MVWFAKKKMGICFP-UHFFFAOYSA-N 50330593 4-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)-2-ethoxybenzoic acid::4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-ethoxybenzoic acid::CHEMBL1234980 Serine/threonine-protein kinase Nek2 16900 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330593 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330593&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search OL2 2XK4 46926529 123109708 CHEMBL1234980 ZINC58655521 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50608459 COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@@H]([C@H](C)C1)C(O)=O InChI=1S/C20H26N4O5/c1-11-10-24(6-5-13(11)20(25)26)19-18(21)22-9-14(23-19)12-7-15(27-2)17(29-4)16(8-12)28-3/h7-9,11,13H,5-6,10H2,1-4H3,(H2,21,22)(H,25,26)/t11-,13+/m1/s1 PKQMCKYXYCALMZ-YPMHNXCESA-N 50330594 (-)-(3S,4S)-1-(3-Amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)-3-methylpiperidine-4-carboxylic Acid::CHEMBL1277841 Serine/threonine-protein kinase Nek2 10800 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330594 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330594&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 49837369 123109709 CHEMBL1277841 ZINC64448687 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50608460 COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@H]([C@@H](C)C1)C(O)=O InChI=1S/C20H26N4O5/c1-11-10-24(6-5-13(11)20(25)26)19-18(21)22-9-14(23-19)12-7-15(27-2)17(29-4)16(8-12)28-3/h7-9,11,13H,5-6,10H2,1-4H3,(H2,21,22)(H,25,26)/t11-,13+/m0/s1 PKQMCKYXYCALMZ-WCQYABFASA-N 50330595 (+)-(3R,4R)-1-(3-Amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)-3-methylpiperidine-4-carboxylic Acid::(+/-)-(3R,4R)-1-(3-Amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)-3-methylpiperidine-4-carboxylic Acid::CHEMBL1277755 Serine/threonine-protein kinase Nek2 720 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330595&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 49837368 123109710 CHEMBL1277755 ZINC64448884 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50608461 CCc1cc(ccc1C(O)=O)-c1nc(cnc1N)-c1cc(OC)c(OC)c(OC)c1 InChI=1S/C22H23N3O5/c1-5-12-8-13(6-7-15(12)22(26)27)19-21(23)24-11-16(25-19)14-9-17(28-2)20(30-4)18(10-14)29-3/h6-11H,5H2,1-4H3,(H2,23,24)(H,26,27) HSIZTEGDZXKHAK-UHFFFAOYSA-N 50330596 4-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)-2-ethylbenzoic acid::CHEMBL1277663 Serine/threonine-protein kinase Nek2 26200 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330596&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 49837268 123109711 CHEMBL1277663 ZINC64446945 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50608462 COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)-c1ccc(cc1C)C(O)=O InChI=1S/C21H21N3O5/c1-11-7-12(21(25)26)5-6-14(11)18-20(22)23-10-15(24-18)13-8-16(27-2)19(29-4)17(9-13)28-3/h5-10H,1-4H3,(H2,22,23)(H,25,26) IZHUCFATOAHISF-UHFFFAOYSA-N 50330597 4-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)-3-methylbenzoic acid::CHEMBL1277569 Serine/threonine-protein kinase Nek2 >50000 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330597&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 49837267 123109712 CHEMBL1277569 ZINC64446726 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50608463 COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CCC(CC1)C(N)=O InChI=1S/C19H25N5O4/c1-26-14-8-12(9-15(27-2)16(14)28-3)13-10-22-17(20)19(23-13)24-6-4-11(5-7-24)18(21)25/h8-11H,4-7H2,1-3H3,(H2,20,22)(H2,21,25) CRKNYDXBTAQIBZ-UHFFFAOYSA-N 50330598 1-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)piperidine-4-carboxamide::CHEMBL1277475 Serine/threonine-protein kinase Nek2 5700 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330598&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 49837165 123109713 CHEMBL1277475 ZINC64436973 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50608464 COC(=O)C1CCN(CC1)c1nc(cnc1N)-c1cc(OC)c(OC)c(OC)c1 InChI=1S/C20H26N4O5/c1-26-15-9-13(10-16(27-2)17(15)28-3)14-11-22-18(21)19(23-14)24-7-5-12(6-8-24)20(25)29-4/h9-12H,5-8H2,1-4H3,(H2,21,22) KELGOVDLJPEUGG-UHFFFAOYSA-N 50330599 CHEMBL1277385::methyl1-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)piperidine-4-carboxylate Serine/threonine-protein kinase Nek2 18300 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330599&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 49837164 123109714 CHEMBL1277385 ZINC64448318 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50608465 COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CCCCC1 InChI=1S/C18H24N4O3/c1-23-14-9-12(10-15(24-2)16(14)25-3)13-11-20-17(19)18(21-13)22-7-5-4-6-8-22/h9-11H,4-8H2,1-3H3,(H2,19,20) MFUMNMOPPCFSEI-UHFFFAOYSA-N 50330600 3-(piperidin-1-yl)-5-(3,4,5-trimethoxyphenyl)pyrazin-2-amine::CHEMBL1277384 Serine/threonine-protein kinase Nek2 >50000 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330600 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330600&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 49837163 123109715 CHEMBL1277384 ZINC64448521 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50608466 Nc1nccnc1N1CCC(CC1)C(O)=O InChI=1S/C10H14N4O2/c11-8-9(13-4-3-12-8)14-5-1-7(2-6-14)10(15)16/h3-4,7H,1-2,5-6H2,(H2,11,12)(H,15,16) KIJYDLBJOJDGSG-UHFFFAOYSA-N 50330601 1-(3-aminopyrazin-2-yl)piperidine-4-carboxylic acid::CHEMBL1275916 Serine/threonine-protein kinase Nek2 48500 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330601&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 49837162 123109716 CHEMBL1275916 ZINC64454089 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50608467 Nc1ncc(nc1N1CCC(CC1)C(O)=O)-c1ccccc1 InChI=1S/C16H18N4O2/c17-14-15(20-8-6-12(7-9-20)16(21)22)19-13(10-18-14)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H2,17,18)(H,21,22) GIKALQCSWXBJIR-UHFFFAOYSA-N 50330602 1-(3-amino-6-phenylpyrazin-2-yl)piperidine-4-carboxylic acid::CHEMBL1277296 Serine/threonine-protein kinase Nek2 7800 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330602 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330602&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 49837161 123109717 CHEMBL1277296 ZINC64448990 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50608468 COc1ccc(cc1)-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O InChI=1S/C17H20N4O3/c1-24-13-4-2-11(3-5-13)14-10-19-15(18)16(20-14)21-8-6-12(7-9-21)17(22)23/h2-5,10,12H,6-9H2,1H3,(H2,18,19)(H,22,23) IXLREPJHNNTDIX-UHFFFAOYSA-N 50330603 1-(3-amino-6-(4-methoxyphenyl)pyrazin-2-yl)piperidine-4-carboxylic acid::CHEMBL1277295 Serine/threonine-protein kinase Nek2 19800 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330603 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330603&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 49837160 123109718 CHEMBL1277295 ZINC64448089 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50608472 Nc1ncc(nc1N1CCC(CC1)C(O)=O)-c1sccc1C1CC1 InChI=1S/C17H20N4O2S/c18-15-16(21-6-3-11(4-7-21)17(22)23)20-13(9-19-15)14-12(5-8-24-14)10-1-2-10/h5,8-11H,1-4,6-7H2,(H2,18,19)(H,22,23) FDOMHNLRAUEUHV-UHFFFAOYSA-N 50330604 1-(3-amino-6-(3-cyclopropylthiophen-2-yl)pyrazin-2-yl)piperidine-4-carboxylic acid::CHEMBL1277020 Serine/threonine-protein kinase Nek2 1600 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330604&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 49837569 123109719 CHEMBL1277020 ZINC64436814 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50608473 COc1cc(OC)cc(c1)-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O InChI=1S/C18H22N4O4/c1-25-13-7-12(8-14(9-13)26-2)15-10-20-16(19)17(21-15)22-5-3-11(4-6-22)18(23)24/h7-11H,3-6H2,1-2H3,(H2,19,20)(H,23,24) SNJGUTSRBTYLSN-UHFFFAOYSA-N 50330605 1-(3-amino-6-(3,5-dimethoxyphenyl)pyrazin-2-yl)piperidine-4-carboxylic acid::CHEMBL1277201 Serine/threonine-protein kinase Nek2 1900 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330605 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330605&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 49837055 123109720 CHEMBL1277201 ZINC64448327 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50608474 COc1cccc(c1)-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O InChI=1S/C17H20N4O3/c1-24-13-4-2-3-12(9-13)14-10-19-15(18)16(20-14)21-7-5-11(6-8-21)17(22)23/h2-4,9-11H,5-8H2,1H3,(H2,18,19)(H,22,23) DXJSLXVHZRWEMR-UHFFFAOYSA-N 50330606 1-(3-amino-6-(3-methoxyphenyl)pyrazin-2-yl)piperidine-4-carboxylic acid::1-[3-amino-6-(3-methoxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid::CHEMBL1236707 Serine/threonine-protein kinase Nek2 4200 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330606 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330606&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search WI2 2XKE 46931216 123109721 CHEMBL1236707 ZINC58650189 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50608475 COc1ccc(cc1OC)-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O InChI=1S/C18H22N4O4/c1-25-14-4-3-12(9-15(14)26-2)13-10-20-16(19)17(21-13)22-7-5-11(6-8-22)18(23)24/h3-4,9-11H,5-8H2,1-2H3,(H2,19,20)(H,23,24) NZBMFJQUUWNHFH-UHFFFAOYSA-N 50330607 1-(3-amino-6-(3,4-dimethoxyphenyl)pyrazin-2-yl)piperidine-4-carboxylic acid::CHEMBL1277200 Serine/threonine-protein kinase Nek2 1900 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330607 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330607&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 49837054 123109722 CHEMBL1277200 ZINC64454130 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50608477 COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)-c1ccc(cc1)C(O)=O InChI=1S/C20H19N3O5/c1-26-15-8-13(9-16(27-2)18(15)28-3)14-10-22-19(21)17(23-14)11-4-6-12(7-5-11)20(24)25/h4-10H,1-3H3,(H2,21,22)(H,24,25) JOVBKEMPKRSFDQ-UHFFFAOYSA-N 50330579 4-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)benzoic acid::4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid::CHEMBL1236145 Serine/threonine-protein kinase Nek2 2300 ChEMBL 10.1021/jm1008727 10.7270/Q23J3D79 20936789 Whelligan, DK; Solanki, S; Taylor, D; Thomson, DW; Cheung, KM; Boxall, K; Mas-Droux, C; Barillari, C; Burns, S; Grummitt, CG; Collins, I; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330579&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search T3M 2XKD 46926534 123109694 CHEMBL1236145 ZINC58650700 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50609883 COc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12 InChI=1S/C15H12N4O/c1-20-10-5-4-9-7-13(17-12(9)8-10)15-14-11(18-19-15)3-2-6-16-14/h2-8,17H,1H3,(H,18,19) PRASIGARSOSUQT-UHFFFAOYSA-N 50331277 3-(6-methoxy-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine::CHEMBL1288582 Serine/threonine-protein kinase Nek2 3220 ChEMBL 10.1016/j.bmcl.2010.09.119 10.7270/Q2JD4X29 20965724 Herdemann, M; Heit, I; Bosch, FU; Quintini, G; Scheipers, C; Weber, A Nycomed GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331277&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 49839480 123110392 CHEMBL1288582 ZINC64548888 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50648399 CCc1nc(C)c(C=C2C(=O)Nc3ccc(cc23)C(C)=O)[nH]1 InChI=1S/C17H17N3O2/c1-4-16-18-9(2)15(19-16)8-13-12-7-11(10(3)21)5-6-14(12)20-17(13)22/h5-8H,4H2,1-3H3,(H,18,19)(H,20,22) FXNNXPZDNVYJBC-UHFFFAOYSA-N 50347860 CHEMBL1802386 Serine/threonine-protein kinase Nek2 >20000 ChEMBL 10.1021/jm200222m 10.7270/Q2QC03TX 21627121 Henise, JC; Taunton, J University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347860&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 53310131 136354546 CHEMBL1802386 ZINC72107274 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50648400 CCc1nc(C)c(C=C2C(=O)N(C)c3ccc(NC(=O)C#C)cc23)[nH]1 InChI=1S/C19H18N4O2/c1-5-17-20-11(3)15(22-17)10-14-13-9-12(21-18(24)6-2)7-8-16(13)23(4)19(14)25/h2,7-10H,5H2,1,3-4H3,(H,20,22)(H,21,24) UBEWSNYQULDEAG-UHFFFAOYSA-N 50347861 CHEMBL1802871 Serine/threonine-protein kinase Nek2 >20000 ChEMBL 10.1021/jm200222m 10.7270/Q2QC03TX 21627121 Henise, JC; Taunton, J University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347861&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 53310269 136354547 CHEMBL1802871 ZINC72139710 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50648401 CCc1nc(C)c(C=C2C(=O)Nc3ccc(NC(=O)C#CC)cc23)[nH]1 InChI=1S/C19H18N4O2/c1-4-6-18(24)21-12-7-8-15-13(9-12)14(19(25)23-15)10-16-11(3)20-17(5-2)22-16/h7-10H,5H2,1-3H3,(H,20,22)(H,21,24)(H,23,25) XNSRFCSSCCIJPM-UHFFFAOYSA-N 50347862 CHEMBL1802872 Serine/threonine-protein kinase Nek2 >20000 ChEMBL 10.1021/jm200222m 10.7270/Q2QC03TX 21627121 Henise, JC; Taunton, J University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347862&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 53310270 136354548 51723 CHEMBL1802872 ZINC72110139 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50648404 ClCC(=O)c1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1 InChI=1S/C14H10ClN3O2/c15-5-13(19)8-1-2-12-10(3-8)11(14(20)18-12)4-9-6-16-7-17-9/h1-4,6-7H,5H2,(H,16,17)(H,18,20) QNMQWPKCKDFOCO-UHFFFAOYSA-N 50347864 CHEMBL1802382 Serine/threonine-protein kinase Nek2 60 ChEMBL 10.1021/jm200222m 10.7270/Q2QC03TX 21627121 Henise, JC; Taunton, J University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347864&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 53310126 136354550 CHEMBL1802382 ZINC72107479 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50648405 Cc1nc[nH]c1C=C1C(=O)Nc2ccc(cc12)C(=O)CCl InChI=1S/C15H12ClN3O2/c1-8-13(18-7-17-8)5-11-10-4-9(14(20)6-16)2-3-12(10)19-15(11)21/h2-5,7H,6H2,1H3,(H,17,18)(H,19,21) VIRXUWUAZFKQHO-UHFFFAOYSA-N 50347865 CHEMBL1802383 Serine/threonine-protein kinase Nek2 20 ChEMBL 10.1021/jm200222m 10.7270/Q2QC03TX 21627121 Henise, JC; Taunton, J University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347865&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 53310127 136354551 CHEMBL1802383 ZINC72110150 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50648406 CCc1nc(C)c(C=C2C(=O)Nc3ccc(cc23)C(=O)CCl)[nH]1 InChI=1S/C17H16ClN3O2/c1-3-16-19-9(2)14(20-16)7-12-11-6-10(15(22)8-18)4-5-13(11)21-17(12)23/h4-7H,3,8H2,1-2H3,(H,19,20)(H,21,23) YRILYOCSQCFEQY-UHFFFAOYSA-N 50347866 CHEMBL1802384 Serine/threonine-protein kinase Nek2 130 ChEMBL 10.1021/jm200222m 10.7270/Q2QC03TX 21627121 Henise, JC; Taunton, J University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347866&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 53310128 136354552 CHEMBL1802384 ZINC72107273 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50648407 CCc1nc(C)c(C=C2C(=O)N(C)c3ccc(cc23)C(=O)CCl)[nH]1 InChI=1S/C18H18ClN3O2/c1-4-17-20-10(2)14(21-17)8-13-12-7-11(16(23)9-19)5-6-15(12)22(3)18(13)24/h5-8H,4,9H2,1-3H3,(H,20,21) OMDKCTZTNZMTGU-UHFFFAOYSA-N 50347867 CHEMBL1802385 Serine/threonine-protein kinase Nek2 4900 ChEMBL 10.1021/jm200222m 10.7270/Q2QC03TX 21627121 Henise, JC; Taunton, J University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347867&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 53310130 136354553 CHEMBL1802385 ZINC72105907 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50648408 O=C(Nc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1)C#C InChI=1S/C16H11N3O2/c1-2-15(20)18-11-5-6-14-12(9-11)13(16(21)19-14)8-10-4-3-7-17-10/h1,3-9,17H,(H,18,20)(H,19,21)/b13-8- KWJAATQOHSNKKF-JYRVWZFOSA-N 50347868 CHEMBL1802387 Serine/threonine-protein kinase Nek2 920 ChEMBL 10.1021/jm200222m 10.7270/Q2QC03TX 21627121 Henise, JC; Taunton, J University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347868&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 53310125 136354554 CHEMBL1802387 ZINC72109650 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50648409 O=C(Nc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1)C#C InChI=1S/C15H10N4O2/c1-2-14(20)18-9-3-4-13-11(5-9)12(15(21)19-13)6-10-7-16-8-17-10/h1,3-8H,(H,16,17)(H,18,20)(H,19,21) IMKRRDCNKBSOFS-UHFFFAOYSA-N 50347869 CHEMBL1802388 Serine/threonine-protein kinase Nek2 620 ChEMBL 10.1021/jm200222m 10.7270/Q2QC03TX 21627121 Henise, JC; Taunton, J University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347869&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 53310267 136354555 CHEMBL1802388 ZINC72109651 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50648410 Cc1nc[nH]c1C=C1C(=O)Nc2ccc(NC(=O)C#C)cc12 InChI=1S/C16H12N4O2/c1-3-15(21)19-10-4-5-13-11(6-10)12(16(22)20-13)7-14-9(2)17-8-18-14/h1,4-8H,2H3,(H,17,18)(H,19,21)(H,20,22) FNJRSYMEJOVUCU-UHFFFAOYSA-N 50347870 CHEMBL1802869 Serine/threonine-protein kinase Nek2 390 ChEMBL 10.1021/jm200222m 10.7270/Q2QC03TX 21627121 Henise, JC; Taunton, J University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347870&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 53310268 136354556 CHEMBL1802869 ZINC72108868 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50648411 CCc1nc(C)c(C=C2C(=O)Nc3ccc(NC(=O)C#C)cc23)[nH]1 InChI=1S/C18H16N4O2/c1-4-16-19-10(3)15(21-16)9-13-12-8-11(20-17(23)5-2)6-7-14(12)22-18(13)24/h2,6-9H,4H2,1,3H3,(H,19,21)(H,20,23)(H,22,24) ORKOHXAJFGRZCL-UHFFFAOYSA-N 50347863 CHEMBL1802870 Serine/threonine-protein kinase Nek2 1300 ChEMBL 10.1021/jm200222m 10.7270/Q2QC03TX 21627121 Henise, JC; Taunton, J University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347863&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 53262909 136354549 CHEMBL1802870 ZINC72108869 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50648412 CCc1nc(C)c(C=C2C(=O)Nc3ccc(NC(=O)C#C)cc23)[nH]1 InChI=1S/C18H16N4O2/c1-4-16-19-10(3)15(21-16)9-13-12-8-11(20-17(23)5-2)6-7-14(12)22-18(13)24/h2,6-9H,4H2,1,3H3,(H,19,21)(H,20,23)(H,22,24) ORKOHXAJFGRZCL-UHFFFAOYSA-N 50347863 CHEMBL1802870 Serine/threonine-protein kinase Nek2 770 ChEMBL 10.1021/jm200222m 10.7270/Q2QC03TX 21627121 Henise, JC; Taunton, J University of California http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347863&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 53262909 136354549 CHEMBL1802870 ZINC72108869 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50629696 CN1CCC(CC1)Oc1ccc2ncn(-c3cc(OCc4ccccc4)c(s3)C(N)=O)c2c1 InChI=1S/C25H26N4O3S/c1-28-11-9-18(10-12-28)32-19-7-8-20-21(13-19)29(16-27-20)23-14-22(24(33-23)25(26)30)31-15-17-5-3-2-4-6-17/h2-8,13-14,16,18H,9-12,15H2,1H3,(H2,26,30) GVKBBYXGXQFMBY-UHFFFAOYSA-N 50339793 3-(benzyloxy)-5-(6-(1-methylpiperidin-4-yloxy)-1H-benzo[d]imidazol-1-yl)thiophene-2-carboxamide::CHEMBL1689159 Serine/threonine-protein kinase Nek2 5430 ChEMBL 10.1021/jm1011726 10.7270/Q2057G7X 21366329 Solanki, S; Innocenti, P; Mas-Droux, C; Boxall, K; Barillari, C; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339793&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 51355153 125089895 CHEMBL1689159 ZINC66124022 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50629697 CC(Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1 InChI=1S/C26H28N4O3S/c1-17(18-6-4-3-5-7-18)32-23-15-24(34-25(23)26(27)31)30-16-28-21-9-8-20(14-22(21)30)33-19-10-12-29(2)13-11-19/h3-9,14-17,19H,10-13H2,1-2H3,(H2,27,31) YNOAKGVICFPGBG-UHFFFAOYSA-N 50339794 (+/-)-5-(6-(1-Methylpiperidin-4-yloxy)-1H-benzo[d]imidazol-1-yl)-3-(1-phenylethoxy)thiophene-2-carboxamide::CHEMBL1689160 Serine/threonine-protein kinase Nek2 6570 ChEMBL 10.1021/jm1011726 10.7270/Q2057G7X 21366329 Solanki, S; Innocenti, P; Mas-Droux, C; Boxall, K; Barillari, C; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339794&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 51355154 125089896 CHEMBL1689160 ZINC66124025 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50629698 CN1CCC(CC1)Oc1ccc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(N)=O)c2c1 InChI=1S/C26H25F3N4O3S/c1-32-10-8-17(9-11-32)36-18-6-7-20-21(12-18)33(15-31-20)23-13-22(24(37-23)25(30)34)35-14-16-4-2-3-5-19(16)26(27,28)29/h2-7,12-13,15,17H,8-11,14H2,1H3,(H2,30,34) FNHUNERGHGEZMB-UHFFFAOYSA-N 50339795 5-(6-(1-Methylpiperidin-4-yloxy)-1H-benzo[d]imidazol-1-yl)-3-(2-(trifluoromethyl)benzyloxy)thiophene-2-carboxamide::5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-benzimidazol-1-yl}-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxamide::CHEMBL1614933 Serine/threonine-protein kinase Nek2 1180 ChEMBL 10.1021/jm1011726 10.7270/Q2057G7X 21366329 Solanki, S; Innocenti, P; Mas-Droux, C; Boxall, K; Barillari, C; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339795 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339795&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search ED8 2XNO 50990893 125089897 CHEMBL1614933 ZINC64746655 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50629699 COc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12 InChI=1S/C19H22N4O3S/c1-22-7-5-12(6-8-22)26-13-3-4-14-15(9-13)23(11-21-14)17-10-16(25-2)18(27-17)19(20)24/h3-4,9-12H,5-8H2,1-2H3,(H2,20,24) VHRWFKCDPVKNGE-UHFFFAOYSA-N 50339796 3-Methoxy-5-(6-(1-methylpiperidin-4-yloxy)-1H-benzo[d]imidazol-1-yl)thiophene-2-carboxamide::CHEMBL1689161 Serine/threonine-protein kinase Nek2 64400 ChEMBL 10.1021/jm1011726 10.7270/Q2057G7X 21366329 Solanki, S; Innocenti, P; Mas-Droux, C; Boxall, K; Barillari, C; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339796&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 51355155 125089898 CHEMBL1689161 ZINC66104964 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50629700 COc1cc(sc1C(N)=O)-n1cnc2ccccc12 InChI=1S/C13H11N3O2S/c1-18-10-6-11(19-12(10)13(14)17)16-7-15-8-4-2-3-5-9(8)16/h2-7H,1H3,(H2,14,17) KEUXAQBCBLZTJR-UHFFFAOYSA-N 50339797 5-(1H-Benzo[d]imidazol-1-yl)-3-methoxythiophene-2-carboxamide::CHEMBL1689162 Serine/threonine-protein kinase Nek2 86000 ChEMBL 10.1021/jm1011726 10.7270/Q2057G7X 21366329 Solanki, S; Innocenti, P; Mas-Droux, C; Boxall, K; Barillari, C; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339797&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 51355435 125089899 CHEMBL1689162 ZINC66114299 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50629701 CC(Oc1cc(sc1C(N)=O)-n1cnc2ccccc12)c1ccccc1C(F)(F)F InChI=1S/C21H16F3N3O2S/c1-12(13-6-2-3-7-14(13)21(22,23)24)29-17-10-18(30-19(17)20(25)28)27-11-26-15-8-4-5-9-16(15)27/h2-12H,1H3,(H2,25,28) SQYKBXHMNBHADB-UHFFFAOYSA-N 50339798 (+/-)-5-(1H-Benzo[d]imidazol-1-yl)-3-(1-(2-(trifluoromethyl)phenyl)ethoxy)thiophene-2-carboxamide::CHEMBL1689163 Serine/threonine-protein kinase Nek2 >50000 ChEMBL 10.1021/jm1011726 10.7270/Q2057G7X 21366329 Solanki, S; Innocenti, P; Mas-Droux, C; Boxall, K; Barillari, C; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339798&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 430 2XNN 51355436 125089900 CHEMBL1689163 ZINC66113200 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50629702 CC(Oc1cc(ccc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F InChI=1S/C29H29F3N4O3/c1-18(22-5-3-4-6-24(22)29(30,31)32)38-27-15-19(7-9-23(27)28(33)37)36-17-34-25-10-8-21(16-26(25)36)39-20-11-13-35(2)14-12-20/h3-10,15-18,20H,11-14H2,1-2H3,(H2,33,37) BNJAETMQKIKKSN-UHFFFAOYSA-N 50339799 (+/-)-4-(6-(1-Methylpiperidin-4-yloxy)-1H-benzo[d]imidazol-1-yl)-2-(1-(2-(trifluoromethyl)phenyl)ethoxy)benzamide::CHEMBL1689164 Serine/threonine-protein kinase Nek2 660 ChEMBL 10.1021/jm1011726 10.7270/Q2057G7X 21366329 Solanki, S; Innocenti, P; Mas-Droux, C; Boxall, K; Barillari, C; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339799&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 51357926 125089901 CHEMBL1689164 ZINC66104969 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50629703 CC(Oc1cc(ccc1C(N)=O)-n1cnc2cc(OC3CCN(C)CC3)ccc12)c1ccccc1C(F)(F)F InChI=1S/C29H29F3N4O3/c1-18(22-5-3-4-6-24(22)29(30,31)32)38-27-15-19(7-9-23(27)28(33)37)36-17-34-25-16-21(8-10-26(25)36)39-20-11-13-35(2)14-12-20/h3-10,15-18,20H,11-14H2,1-2H3,(H2,33,37) FASALJZFFLCNKM-UHFFFAOYSA-N 50339800 (+/-)-4-(5-(1-Methylpiperidin-4-yloxy)-1H-benzo[d]imidazol-1-yl)-2-(1-(2-(trifluoromethyl)phenyl)ethoxy)benzamide::CHEMBL1689165 Serine/threonine-protein kinase Nek2 570 ChEMBL 10.1021/jm1011726 10.7270/Q2057G7X 21366329 Solanki, S; Innocenti, P; Mas-Droux, C; Boxall, K; Barillari, C; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339800&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search WCX 2XNP 51355713 125089902 CHEMBL1689165 ZINC66112154 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50629704 C[C@@H](Oc1cc(ccc1C(N)=O)-n1cnc2cc(OC3CCN(C)CC3)ccc12)c1ccccc1C(F)(F)F InChI=1S/C29H29F3N4O3/c1-18(22-5-3-4-6-24(22)29(30,31)32)38-27-15-19(7-9-23(27)28(33)37)36-17-34-25-16-21(8-10-26(25)36)39-20-11-13-35(2)14-12-20/h3-10,15-18,20H,11-14H2,1-2H3,(H2,33,37)/t18-/m1/s1 FASALJZFFLCNKM-GOSISDBHSA-N 50339801 (R)-4-(5-(1-Methylpiperidin-4-yloxy)-1H-benzo[d]imidazol-1-yl)-2-(1-(2-(trifluoromethyl)phenyl)ethoxy)benzamide::4-{5-[(1-METHYLPIPERIDIN-4-YL)OXY]-1H-BENZIMIDAZOL-1-YL}-2-{(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY}BENZAMIDE::CHEMBL1615277 Serine/threonine-protein kinase Nek2 360 ChEMBL 10.1021/jm1011726 10.7270/Q2057G7X 21366329 Solanki, S; Innocenti, P; Mas-Droux, C; Boxall, K; Barillari, C; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339801&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search WCX 2XNP 50990894 125089903 CHEMBL1615277 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50629705 C[C@H](Oc1cc(ccc1C(N)=O)-n1cnc2cc(OC3CCN(C)CC3)ccc12)c1ccccc1C(F)(F)F InChI=1S/C29H29F3N4O3/c1-18(22-5-3-4-6-24(22)29(30,31)32)38-27-15-19(7-9-23(27)28(33)37)36-17-34-25-16-21(8-10-26(25)36)39-20-11-13-35(2)14-12-20/h3-10,15-18,20H,11-14H2,1-2H3,(H2,33,37)/t18-/m0/s1 FASALJZFFLCNKM-SFHVURJKSA-N 50339802 (S)-4-(5-(1-Methylpiperidin-4-yloxy)-1H-benzo[d]imidazol-1-yl)-2-(1-(2-(trifluoromethyl)phenyl)ethoxy)benzamide::CHEMBL1689166 Serine/threonine-protein kinase Nek2 4860 ChEMBL 10.1021/jm1011726 10.7270/Q2057G7X 21366329 Solanki, S; Innocenti, P; Mas-Droux, C; Boxall, K; Barillari, C; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339802&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 51355979 125089904 CHEMBL1689166 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50629706 CC(Oc1cc(ccc1C(N)=O)-n1cnc2cc(OCCCN(C)C)ccc12)c1ccccc1C(F)(F)F InChI=1S/C28H29F3N4O3/c1-18(21-7-4-5-8-23(21)28(29,30)31)38-26-15-19(9-11-22(26)27(32)36)35-17-33-24-16-20(10-12-25(24)35)37-14-6-13-34(2)3/h4-5,7-12,15-18H,6,13-14H2,1-3H3,(H2,32,36) OEVZUXKNDLGAKU-UHFFFAOYSA-N 50339803 (+/-)-4-(5-(3-(Dimethylamino)propoxy)-1H-benzo[d]imidazol-1-yl)-2-(1-(2-(trifluoromethyl)phenyl)ethoxy)benzamide::CHEMBL1689168 Serine/threonine-protein kinase Nek2 380 ChEMBL 10.1021/jm1011726 10.7270/Q2057G7X 21366329 Solanki, S; Innocenti, P; Mas-Droux, C; Boxall, K; Barillari, C; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339803&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 51355977 125089905 CHEMBL1689168 ZINC66114308 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50629707 CC(Oc1cc(ccc1C(N)=O)-n1cnc2cc(OC3CCN(CC3)C3CC3)ccc12)c1ccccc1C(F)(F)F InChI=1S/C31H31F3N4O3/c1-19(24-4-2-3-5-26(24)31(32,33)34)40-29-16-21(8-10-25(29)30(35)39)38-18-36-27-17-23(9-11-28(27)38)41-22-12-14-37(15-13-22)20-6-7-20/h2-5,8-11,16-20,22H,6-7,12-15H2,1H3,(H2,35,39) ZUDYNCJHVWNHDF-UHFFFAOYSA-N 50339804 (+/-)-4-(5-(1-Cyclopropylpiperidin-4-yloxy)-1H-benzo[d]imidazol-1-yl)-2-(1-(2-(trifluoromethyl)phenyl)ethoxy)benzamide::CHEMBL1689169 Serine/threonine-protein kinase Nek2 2560 ChEMBL 10.1021/jm1011726 10.7270/Q2057G7X 21366329 Solanki, S; Innocenti, P; Mas-Droux, C; Boxall, K; Barillari, C; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339804&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 51355978 125089906 CHEMBL1689169 ZINC66114314 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50629720 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F InChI=1S/C27H27F3N4O3S/c1-16(19-5-3-4-6-20(19)27(28,29)30)36-23-14-24(38-25(23)26(31)35)34-15-32-21-8-7-18(13-22(21)34)37-17-9-11-33(2)12-10-17/h3-8,13-17H,9-12H2,1-2H3,(H2,31,35)/t16-/m1/s1 SWIVJTVGOIXUKC-MRXNPFEDSA-N 28216 5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-1,3-benzodiazol-1-yl}-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide::benzimidazole thiophene carboxamide, 24 Serine/threonine-protein kinase Nek2 25 ChEMBL 10.1021/jm1011726 10.7270/Q2057G7X 21366329 Solanki, S; Innocenti, P; Mas-Droux, C; Boxall, K; Barillari, C; van Montfort, RL; Aherne, GW; Bayliss, R; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=28216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=28216&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search WGZ 2XNM 16050925 58097405 ZINC59716256 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50666727 COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1 InChI=1S/C24H24N4O5S/c1-14(23-26-9-10-34-23)27-24(29)28-17-6-5-15(11-20(17)30-2)33-19-7-8-25-18-13-22(32-4)21(31-3)12-16(18)19/h5-14H,1-4H3,(H2,27,28,29) SHPFDGWALWEPGS-UHFFFAOYSA-N 50355494 CHEMBL1908396 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355494 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355494&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 9869779 136959518 CHEMBL1908396 ZINC13975055 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50668047 CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26) VAARYSWULJUGST-UHFFFAOYSA-N 6568 6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfanyl)phenyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one::CHEMBL386051::PD-173955::PD173955::US11136333, Compound PD173955 Serine/threonine-protein kinase Nek2 110 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=6568 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=6568&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search P17 1M52,5IA3 447077 8036145 49791 CHEMBL386051 DB02567 5699 ZINC02047743 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50667190 COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1 InChI=1S/C20H22N4O3/c1-25-16-6-3-13(4-7-16)12-27-17-8-5-14(10-18(17)26-2)9-15-11-23-20(22)24-19(15)21/h3-8,10-11H,9,12H2,1-2H3,(H4,21,22,23,24) MYQAUKPBNJWPIE-UHFFFAOYSA-N 32362 5-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine::GW-2580::[2-amino-5-(3-methoxy-4-p-anisyloxy-benzyl)pyrimidin-4-yl]amine::cid_11617559 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32362 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32362&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search MUJ 4AT5 11617559 252615797 5685 ZINC13985942 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50666007 CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1 InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+ RITAVMQDGBJQJZ-FMIVXFBMSA-N 25117 AG-013736::AXITINIB::N-methyl-2-({3-[(E)-2-(pyridin-2-yl)ethenyl]-1H-indazol-6-yl}sulfanyl)benzamide::US10464902, Axitinib::US9205078, Axitinib ::US9617222, Compound A Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25117 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25117&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 6450551 56374259 66910 5659 ZINC03816287 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50654311 Cc1cc(O)cc2oc3cc(O)cc(O)c3c(=O)c12 InChI=1S/C14H10O5/c1-6-2-7(15)4-10-12(6)14(18)13-9(17)3-8(16)5-11(13)19-10/h2-5,15-17H,1H3 AQZHBCDRWFMXIN-UHFFFAOYSA-N 50350423 CHEMBL466154 Serine/threonine-protein kinase Nek2 >100000 ChEMBL 10.1016/j.bmc.2011.06.013 10.7270/Q2X92BNH 21741249 Ebada, SS; Schulz, B; Wray, V; Totzke, F; Kubbutat, MH; Muller, WE; Hamacher, A; Kassack, MU; Lin, W; Proksch, P Heinrich Heine Universit£t http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350423&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 5281657 136357109 CHEMBL466154 C10087 ZINC05765089 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50654312 Cc1c(O)c(O)cc2oc3cc(O)cc(O)c3c(=O)c12 InChI=1S/C14H10O6/c1-5-11-10(4-8(17)13(5)18)20-9-3-6(15)2-7(16)12(9)14(11)19/h2-4,15-18H,1H3 YPBXGIBBOZOVPM-UHFFFAOYSA-N 50350424 CHEMBL454440 Serine/threonine-protein kinase Nek2 83900 ChEMBL 10.1016/j.bmc.2011.06.013 10.7270/Q2X92BNH 21741249 Ebada, SS; Schulz, B; Wray, V; Totzke, F; Kubbutat, MH; Muller, WE; Hamacher, A; Kassack, MU; Lin, W; Proksch, P Heinrich Heine Universit£t http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350424 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350424&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 10423452 136357110 CHEMBL454440 ZINC14761282 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50669047 CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22) YZDJQTHVDDOVHR-UHFFFAOYSA-N 25617 N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide::PLX4720 Serine/threonine-protein kinase Nek2 5000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25617 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25617&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 324 3C4C,4WO5 24180719 56412907 DB06999 5703 ZINC39059267 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50666446 Cc1cnc2c(NCCN)nc3ccc(C)cc3n12 InChI=1S/C14H17N5/c1-9-3-4-11-12(7-9)19-10(2)8-17-14(19)13(18-11)16-6-5-15/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18) PSPFQEBFYXJZEV-UHFFFAOYSA-N 25919 BMS-345541::BMS345541::CHEMBL471496::N-(2-aminoethyl)-3,12-dimethyl-2,5,8-triazatricyclo[7.4.0.0^{2,6}]trideca-1(13),3,5,7,9,11-hexaen-7-amine Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25919&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 9813758 56413207 CHEMBL471496 5669 ZINC13285379 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50669120 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) MVCOAUNKQVWQHZ-UHFFFAOYSA-N 13533 1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea::1-[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]-3-[4-[2-(4-morpholinyl)ethoxy]-1-naphthalenyl]urea::1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea::1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[4-(2-morpholinoethoxy)-1-naphthyl]urea::3-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea::3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea::BIRB 796::BIRB-796::BIRB-796, 3::CHEMBL103667::D3RKN_73::Doramapimod::US11407771, Compound 43::US8933228, BIRB 796::US9187470, 43 (BIRB-796)::US9242960, BIRB 796::US9260410, BIRB796::cid_156422::diaryl urea compound 10 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13533&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search B96 4JVG,1KV2,6GTT,5N66,4TWN,3NPC,3FZS 156422 46513934 CHEMBL103667 DB03044 5668 ZINC24044436 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50668015 Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29) OMZCMEYTWSXEPZ-UHFFFAOYSA-N 4779 CHEMBL31965::CHEMBL545315::CI-1033::Canertinib::N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[3-(morpholin-4-yl)propoxy]quinazolin-6-yl}prop-2-enamide::PD0183805::US10507209, Compound CI-1033::US9730934, CI-1033::cid_156414 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=4779&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 156414 8034429 61399 CHEMBL31965CHEMBL545315 DB05424 5675 ZINC27439698 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50670904 COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N 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 12621 2,4-Diamino-5-ketopyrimidine 39::5-[(2,3-difluoro-6-methoxyphenyl)carbonyl]-2-N-(1-methanesulfonylpiperidin-4-yl)pyrimidine-2,4-diamine::R547::[4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2,3-difluoro-6-methoxyphenyl)methanone Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=12621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=12621&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search LIA 2FVD 6918852 46513075 DB08094 5707 ZINC13983251 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50682556 CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1 ZCBUQCWBWNUWSU-SFHVURJKSA-N 17055 (18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-triazahexacyclo[19.6.1.1^{7,14}.0^{2,6}.0^{8,13}.0^{22,27}]nonacosa-1(28),2(6),7(29),8(13),9,11,22(27),23,25-nonaene-3,5-dione::(9S)-9-[(dimethylamino)methyl]-6,7,10,11-tetrahydro-9H,18H-5,21:12,17-di(metheno)dibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadiazacyclohexadecine-18,20(19H)-dione::K00587a::LY 333531::LY-333531::LY333531::Ruboxistaurin::cid_153999 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=17055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=17055&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search LY4 2J2I,1UU3 153999 46517285 5263 ZINC03812168 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50682576 COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30) NHHQJBCNYHBUSI-UHFFFAOYSA-N 60665 BDBM50249542::US9145414, R406::US9212178, R406 Serine/threonine-protein kinase Nek2 260 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=60665 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=60665&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 585 3PIY,3FQS 11213558 316921779 DB07159 ZINC13555629 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50671006 Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12 InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34) YABJJWZLRMPFSI-UHFFFAOYSA-N 31088 1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxy-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine::1-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]-2-benzimidazolamine::CHIR-265::[1-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridyl]oxy]benzimidazol-2-yl]-[4-(trifluoromethyl)phenyl]amine::cid_11656518 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31088&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 55J 5CT7 11656518 252615336 5674 ZINC18710085 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50676933 Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26) CYOHGALHFOKKQC-UHFFFAOYSA-N 50355497 AZD-6244::CHEMBL1614701 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355497 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355497&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 3EW 4U7Z,7JUZ,7JUT,7M0T 10127622 136959521 CHEMBL1614701 ZINC31773258 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50689849 C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1 WCWUXEGQKLTGDX-LLVKDONJSA-N 50184807 (R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[1,2-f][1,2,4]triazin-6-yloxy)propan-2-ol::(R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy)propan-2-ol::BMS-540215::CHEMBL377300 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50184807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50184807&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 11234052 104069124 CHEMBL377300 5671 ZINC13684256 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50669757 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1 InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35) QQWUGDVOUVUTOY-UHFFFAOYSA-N 482158 BDBM50242742::TAE684 Serine/threonine-protein kinase Nek2 1800 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=482158 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=482158&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 16038120 443551321 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50674182 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1 InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1 CTNPALGJUAXMMC-PMFHANACSA-N 31095 5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(2S)-3-morpholin-4-yl-2-oxidanyl-propyl]-1H-pyrrole-3-carboxamide::5-[(Z)-(5-fluoro-2-keto-indolin-3-ylidene)methyl]-N-[(2S)-2-hydroxy-3-morpholino-propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide::5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-2-hydroxy-3-(4-morpholinyl)propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide::5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide::SU-14813::cid_10138259 Serine/threonine-protein kinase Nek2 1100 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31095&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 10138259 252615339 ZINC18825344 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50684122 CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1 InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36) CVWXJKQAOSCOAB-UHFFFAOYSA-N 50300690 1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morpholin-4-Yl)ethoxy]imidazo[2,1-B][1,3]benzothiazol-2-Yl}phenyl)urea::AC 010220::AC 220::AC-220::AC010220::AC220::ASP-2689::CHEMBL576982::N-(5-tert-Butyl-isoxazol-3-yl)-N'-{4-[7-(2-morpholin-4-yl-ethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl}urea::Quizartinib::Quizartinib (AC220)::US10266535, Compound AC220::US11542261, Compound quizartinib::US9216997, Quizartinib (positive compound) Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50300690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50300690&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search P30 4XUF,4RT7 24889392 104155051 CHEMBL576982 5658 ZINC43204002 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50674253 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1 BPNUQXPIQBZCMR-IBGZPJMESA-N 15138 5-indazolyl pyridine 11g::5-{5-[(2S)-2-amino-3-phenylpropoxy]pyridin-3-yl}-3-methyl-1H-indazole::A-674563::Biochemistry 469551 Compound 11::indazole-pyridine, 7 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15138 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15138&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search SS3 2UZT 11314340 46515449 DB08568 5655 ZINC16052569 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50679893 Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1 InChI=1S/C18H13N7S/c1-24-11-13(10-20-24)16-6-7-17-21-22-18(25(17)23-16)26-14-4-5-15-12(9-14)3-2-8-19-15/h2-11H,1H3 BCZUAADEACICHN-UHFFFAOYSA-N 60589 6-{[6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline (4)::BDBM50355498 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=60589 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=60589&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search SX8 3DKF,3DKG 16187854 24782328 DB08584 ZINC15962404 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50681367 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F InChI=1S/C27H28F3N5O2S/c1-17(19-5-3-4-6-20(19)27(28,29)30)37-23-14-24(38-25(23)26(31)36)35-16-32-21-8-7-18(13-22(21)35)15-34-11-9-33(2)10-12-34/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H2,31,36)/t17-/m1/s1 ZHJGWYRLJUCMRT-QGZVFWFLSA-N 50355500 CHEMBL1908394::US9695172, GSK461364 Serine/threonine-protein kinase Nek2 260 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355500 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355500&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 15983966 136959524 CHEMBL1908394 ZINC43154472 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50686930 Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H VEPKQEUBKLEPRA-UHFFFAOYSA-N 15244 5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpyrimido[1,6-b]pyridazin-6-one::5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-a]pyridazin-6-one::5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)thio]-6-pyrimido[1,6-b]pyridazinone::5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)thio]pyrimido[1,6-b]pyridazin-6-one::5-(2,6-dichlorophenyl)-9-(2,4-difluorophenyl)sulfanyl-1,3,10-triazabicyclo[4.4.0]deca-2,5,7,9-tetraen-4-one::5-[2,6-bis(chloranyl)phenyl]-2-[2,4-bis(fluoranyl)phenyl]sulfanyl-pyrimido[1,6-b]pyridazin-6-one::VX-745::VX745::cid_3038525 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15244 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15244&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 52P 3ZSI,3HP5,3FC1 3038525 46515551 DB07138 ZINC13493055 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50690015 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29) PIQCTGMSNWUMAF-UHFFFAOYSA-N 25118 (3Z)-4-amino-5-fluoro-3-[5-(4-methylpiperazino)-1,3-dihydrobenzimidazol-2-ylidene]carbostyril::4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1,2-dihydroquinolin-2-one::CHEMBL522892::CHIR-258 Serine/threonine-protein kinase Nek2 2000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25118 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25118&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 9886808 56374260 CHEMBL522892 5962 ZINC03816310 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50671298 CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1 InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25) CUIHSIWYWATEQL-UHFFFAOYSA-N 26474 5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)-2-methylbenzene-1-sulfonamide::GW-786034::JMC514632 Compound 13::Pazopanib::cid_10113978 Serine/threonine-protein kinase Nek2 980 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26474&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 10113978 56464911 71219 DB06589 5698 ZINC11617039 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50678627 C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1 KTEIFNKAUNYNJU-GFCCVEGCSA-N 50306682 (R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine::3-(2,6-dichloro-3-fluorobenzyloxy)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine::3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine::CHEMBL601719::CRIZOTINIB::PF-2341066::US10370379, Crizotinib::US10543199, Compound Crizotinib::US10780082, Compound Crizotinib::US11059827, Compound Crizotinib::US11517561, Compound Crizotinib::US9126941, PF-2341066::US9199944, Crizotinib::US9226923, Crizotinib Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50306682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50306682&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search VGH 2YFX,5AAA,5AAC,5AAB,4ANS,4ANQ,2XP2,2WGJ,3ZBF,4C9W,6IMZ 11626560 104161043 64310 CHEMBL601719 DB08700 4903 ZINC35902489 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50681409 Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)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 24654 4-N-(2,6-dichlorobenzene)-3-N-(piperidin-4-yl)-1H-pyrazole-3,4-diamido::AT7519::JMC514986 Compound 33::pyrazole diamide, 33 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=24654 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=24654&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search LZE 7AGA,2VU3 11338033 56269605 5662 ZINC16052857 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50687050 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 InChI=1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39) AXRCEOKUDYDWLF-UHFFFAOYSA-N 50128285 3-(1-Methyl-1H-indol-3-yl)-4-[1-(1-pyridin-2-ylmethyl-piperidin-4-yl)-1H-indol-3-yl]-pyrrole-2,5-dione::CHEMBL300138 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50128285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50128285&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 176167 104020050 CHEMBL300138 5693 ZINC01494900 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50690040 CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12 InChI=1S/C27H29FN8O3/c1-29-26(38)23-17(28)6-5-7-18(23)31-25-16-8-10-30-24(16)33-27(34-25)32-19-13-20-15(12-21(19)39-4)9-11-36(20)22(37)14-35(2)3/h5-8,10,12-13H,9,11,14H2,1-4H3,(H,29,38)(H3,30,31,32,33,34) HZTYDQRUAWIZRE-UHFFFAOYSA-N 27817 2-{[2-({1-[2-(dimethylamino)acetyl]-5-methoxy-2,3-dihydro-1H-indol-6-yl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-6-fluoro-N-methylbenzamide::pyrrolo[2,3-d]pyrimidine deriv., 40 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27817&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 25182616 57560329 5683 ZINC43202844 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50690214 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1 InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27) UHTHHESEBZOYNR-UHFFFAOYSA-N 21 CHEMBL24828::N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine::VANDETANIB::ZD-6474::ZD6474::cid_3081361 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search ZD6 2IVU 3081361 8030012 49960 CHEMBL24828 DB08764 ZINC03834198 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50682955 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+ JWNPDZNEKVCWMY-VQHVLOKHSA-N 50161957 4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(pyridin-2-ylmethoxy)-phenylamino]-3-cyano-7-ethoxy-quinolin-6-yl}-amide::CHEMBL180022::HKI-272::N-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide::N-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide::NERATINIB::US10822334, Compound Neratinib Serine/threonine-protein kinase Nek2 250 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50161957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50161957&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 9915743 104048227 CHEMBL180022 5686 ZINC03916214 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50685663 Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31) JOOXLOJCABQBSG-UHFFFAOYSA-N 50332294 CHEMBL1287853::N-tert-butyl-3-(5-methyl-2-(4-(2-(pyrrolidin-1-yl)ethoxy)phenylamino)pyrimidin-4-ylamino)benzenesulfonamide::US10112907, Example 00018::US10730860, TABLE 1.3::US10766894, Compound TABLE 1.3::US11203595, TABLE 1.3::US11384069, Example T-5 Serine/threonine-protein kinase Nek2 1700 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50332294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50332294&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 2TA 4OGJ,4PS5,6VNE 16722836 123111409 CHEMBL1287853 5716 ZINC19862646 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50670084 CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27) LHNIIDJUOCFXAP-UHFFFAOYSA-N 25028 4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine::GDC-0941::GDC0941::US10112932, pictilisib::US10851091, Compound pictilisib Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25028 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25028&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search GD9 3DBS,2Y3A,2WXP 17755052 56374172 65326 ZINC16052714 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50671463 Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27) ZBNZXTGUTAYRHI-UHFFFAOYSA-N 13216 BMS-354825::CHEMBL1421::DASATINIB::N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl)]-2-methyl-4-pyrimidinyl]amino)]-1,3-thiazole-5-carboxamide::N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide::US10294227, Code Dasatinib::cid_3062316::med.21724, Compound Dasatinib Serine/threonine-protein kinase Nek2 6500 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13216&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 1N1 5BVW,5OWR,6FNM,6BSD,5I9Y,2ZVA,3OCT,7ERK,3QLG,3SXR,7N9G,4XLI,3OHT,2Y6O,3LFA,4XEY,2GQG,3K54,3G5D,4QMS,5VCV,5H2U 3062316 46513626 49375 CHEMBL1421 DB01254 5678 ZINC21982951 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50671496 N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1 HFNKQEVNSGCOJV-OAHLLOKOSA-N 50355501 INCB-018424::RUXOLITINIB::RUXOLITINIB PHOSPHATE::US10112907, Example 00016::US10766894, Compound TABLE 1.1::US10875847, Compound JAKAFI::US11203595, TABLE 1.1::US11279703, TABLE 6.147 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355501&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search RXT 6VNK,6WTN,6VGL,4U5J,7F3G 25126798 136959525 66919 DB08877 ZINC43207851 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50673084 CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) GCIKSSRWRFVXBI-UHFFFAOYSA-N 13534 CHEMBL572878::N-[4-({4-[(3-methyl-1H-pyrazol-5-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl}sulfanyl)phenyl]cyclopropanecarboxamide::N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thio]phenyl]cyclopropanecarboxamide::VX-680::VX680::cyclopropane carboxylic acid {4-[4-(4-methyl-piperazin-1-yl)-6-(5-methyl-2H-pyrazol-3-ylamino)-pyrimidin-2ylsulphanyl]-phenyl}-amide Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13534&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search VX6 2F4J,6GR9,6BRJ,3E5A,4ZOG,4B8M,5WNM,3AMB,4JBQ,4AF3,2XYN 5494449 46513935 CHEMBL572878 5718 ZINC03820040 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50674502 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 InChI=1S/C32H34Cl2N4O4S/c1-19-29(35-20(2)30(19)32(40)38-14-6-7-21(38)17-37-12-3-4-13-37)16-24-23-15-22(10-11-28(23)36-31(24)39)43(41,42)18-25-26(33)8-5-9-27(25)34/h5,8-11,15-16,21,35H,3-4,6-7,12-14,17-18H2,1-2H3,(H,36,39)/b24-16-/t21-/m1/s1 OYONTEXKYJZFHA-SSHUPFPWSA-N 50242737 (R,Z)-5-(2,6-dichlorobenzylsulfonyl)-3-((3,5-dimethyl-4-(2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl)-1H-pyrrol-2-yl)methylene)indolin-2-one::CHEMBL450786::PHA-665752::TCMDC-125885 Serine/threonine-protein kinase Nek2 600 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50242737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50242737&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 10461815 104099202 CHEMBL450786 5700 ZINC03938668 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50684423 Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1 InChI=1S/C18H14N6O2/c19-16-15-17(24-18(20)23-16)22-14(10-4-2-6-12(26)8-10)13(21-15)9-3-1-5-11(25)7-9/h1-8,25-26H,(H4,19,20,22,23,24) UJIAQDJKSXQLIT-UHFFFAOYSA-N 25084 3-[2,4-diamino-6-(3-hydroxyphenyl)pteridin-7-yl]phenol::JMC504279 Compound 6::TG100-115 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25084&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search B6J 5WNK 10427712 56374226 5715 ZINC06718666 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50685729 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1 ULXXDDBFHOBEHA-CWDCEQMOSA-N 50322823 (S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide::AFATINIB::CHEMBL1173655::US10085983, Compound BIBW2992::US10196365, Afatinib::US10435400, Compound BIBW2992::US9388170, Afatinib::US9890168, Compound BIBW2992::WO2022090481, Example afatinib Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322823&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 0WM 4G5J 10184653 104144352 61390 CHEMBL1173655 DB08916 5667 ZINC03976838 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50683144 OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32) HHFBDROWDBDFBR-UHFFFAOYSA-N 31093 4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]benzoic acid::4-[[9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]benzoic acid::BDBM31832::CHEMBL259084::MLN-8054::cid_11712649 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31093&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search ZZL 2X81,5IA1,2WTW,2WTV 11712649 252615338 CHEMBL259084 5696 ZINC18825334 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50691788 CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1 BIIVYFLTOXDAOV-YVEFUNNKSA-N 5655 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4H-chromen-4-one::CHEMBL428690::Flavopiridol::US10294218, Example Flavopiridol::US9617225, Flavopiridol Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=5655 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=5655&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search CPB 1C8K,1E1Y,3BLR,3EBP,4O71 5287969 8035270 CHEMBL428690 DB03496 5680 ZINC21288966 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50674627 CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1 KGPGFQWBCSZGEL-ZDUSSCGKSA-N 25013 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-piperidin-3-ylmethoxy]-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol::GSK-690693::GSK690693::US10550114, Compound GSK690693 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25013&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search G93 3D0E,5U94 16725726 56374157 5196 ZINC34285211 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50688982 Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1 InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25) YCOYDOIWSSHVCK-UHFFFAOYSA-N 4851 (4-chlorophenyl)-[4-(4-pyridylmethyl)phthalazin-1-yl]amine::(A) PTK787::CGP 79787::CHEMBL101253::CHEMBL75232::N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)-1-phthalazinamine::N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine::PTK-787::PTK787::ZK222584::cid_151194 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=4851&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 151194 8034494 CHEMBL75232CHEMBL101253 DB04879 6052 ZINC00007460 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50673291 COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl 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 4552 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-3-quinolinecarbonitrile::4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile::BOSUTINIB::CHEMBL288441::SKI-606 Serine/threonine-protein kinase Nek2 1600 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=4552&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search DB8 6OP9,5AJQ,4MXO,4MXY,4MXX,4MXZ,3SOA,5VC3,6FDY,5I9X,3UE4,4QMN,5VCY 5328940 8034215 39112 CHEMBL288441 DB06616 5710 ZINC22448983 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50674744 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) XGALLCVXEZPNRQ-UHFFFAOYSA-N 5447 CHEMBL939::GEFITINIB::Iressa::N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-[3-(4-morpholinyl)propoxy]-4-quinazolinamine::N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine::US10106508, Gefitinib::US10507209, Compound Gefitinib::US9416123, Gefitinib::US9730934, Gefitinib::US9783524, Gefitinib::WO2022090481, Example gefitinib::ZD1839::cid_123631 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=5447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=5447&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 2ITO,2ITY,2ITZ 123631 8035066 49668 CHEMBL939 DB00317 4941 ZINC19632614 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50680443 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) MLDQJTXFUGDVEO-UHFFFAOYSA-N 16673 4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide::4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-picolinamide;tosylic acid::BAY 43-9006::BAY 439006::BAY439006::CHEMBL1336::Hit compound, 8::Nexavar::Sorafenib::Sorafenib, 4::US10183928, Sorafenib::US10202365, Compound Sorafenib::US10227329, Compound Sorafenib::US10584114, Compound Sorafenib::US10774070, Compound Sorafenib::US10980809, Example Sorafenib::US11279688, Compound Sorafenib::US11505527, Compound Sorafenib::US9029401, Sorafenib::US9469639, Sorafenib::US9902709, Comparative example 1::Xarelto::cid_216239 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16673 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16673&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search BAX 3GCS,4ASD,3WZE,5HI2,3HEG,1UWH,1UWJ,3RGF 216239 46516901 50924 CHEMBL1336 DB00398 5711 ZINC01493878 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50689152 CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1 InChI=1S/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33) QYZOGCMHVIGURT-UHFFFAOYSA-N 26300 2-{3-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}quinazolin-4-yl)amino]-1H-pyrazol-5-yl}-N-(3-fluorophenyl)acetamide::CHEMBL215152::cid_16007391::pyrazoloquinazoline deriv., 34 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26300&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search YJA 4C2V 16007391 56464737 CHEMBL215152 5663 ZINC16697102 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50670392 CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12 InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19) MFAQYJIYDMLAIM-UHFFFAOYSA-N 36409 2-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol, PP242::CID24905147::US10172858, Table 2.1::US9828378, # 1 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=36409 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=36409&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search P2X 4JT5 24905147 117643995 ZINC36056301 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50671901 Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2 TUVCWJQQGGETHL-UHFFFAOYSA-N 25045 3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin-2-yl)phenol::3-(4-morpholin-4-ylpyrido[3 ,2 :4,5]furo[3,2-d]pyrimidin-2-yl)phenol::3-(4-morpholinopyrido[2,3]furo[2,4-b]pyrimidin-2-yl)phenol::3-[4-(4-morpholinyl)-2-pyrido[2,3]furo[2,4-b]pyrimidinyl]phenol::3-[6-(morpholin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaen-4-yl]phenol::CHEMBL538346::PI-103::US9637488, PI-103::cid_9884685::mTOR Inhibitor, PI103::pyridofuropyrimidine derivative, 2 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25045 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25045&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search X6K 2X6K,4L23,4JT6 9884685 56374189 CHEMBL538346 5701 ZINC03963016 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50692126 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34) KTUFNOKKBVMGRW-UHFFFAOYSA-N 13530 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide::CHEMBL941::Gleevec::Imatinib::Imatinib, 21::N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide::STI-571::STI571::US10906896, Cpd imatinib::US11649218, Example Imatinib::US9255107, Imatinib::cid_5291::imatinib-CD3::med.21724, Compound 6 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13530&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search STI 6HD6,6HD4,2HYY,4BKJ,2PL0,3GVU,6NPU,6NPV,6NPE,4CSV,3MS9,3MSS,4R7I,7N9G,2OIQ,1IEP,1XBB,3HEC,1T46,3FW1,3PYY,6VXH,6JOL,3K5V,5MQT,3OEZ,6KTN,1OPJ 5291 46513933 45783 CHEMBL941 DB00619 5687 ZINC19632618 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50672002 CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12 InChI=1S/C22H23N5O/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28) RAHBGWKEPAQNFF-UHFFFAOYSA-N 24773 AMG 706::AMG-706::Motesanib::N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)-3-pyridinecarboxamide::N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide::N-(3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-2-[(pyridin-4-ylmethyl)amino]pyridine-3-carboxamide::N-(3,3-dimethylindolin-6-yl)-2-(4-pyridylmethylamino)nicotinamide::US10464902, Motesanib::cid_11667893 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=24773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=24773&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 706 3EFL 11667893 56269724 51098 5660 ZINC18710082 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50673553 COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1 InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3 XXJWYDDUDKYVKI-UHFFFAOYSA-N 50331096 4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazoline::CHEMBL491473::Cediranib::US10464902, Cediranib::ZD-2171 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331096 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331096&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 9933475 123110211 CHEMBL491473 DB04849 5664 ZINC03948085 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50675019 OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,18,24H,2,4,9-10H2 RIGIGAFKKVBACY-UHFFFAOYSA-N 25628 2-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethan-1-ol::AR00341677::CHEMBL525191::GDC-0879 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25628&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 91448975 56412918 CHEMBL525191 ZINC34640412 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50675096 COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) AAKJLRGGTJKAMG-UHFFFAOYSA-N 5446 CHEMBL553::ERLOTINIB HYDROCHLORIDE::Erlotinib::Erotinib::N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine Monohydrochloride::N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine::OSI-774::Tarceva::US10189853, erlotinib::US10507209, Compound Erlotinib::US11524945, Compound Erlotinib::US9409845, Table 1, Compound 22: erlotinib::US9730934, Erlotinib::WO2022090481, Example erlotinib::cid_176870 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=5446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=5446&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search AQ4 4HJO,6DWN,1M17 176870 8035065 114785 CHEMBL553 DB00530 4920 ZINC01546066 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50690988 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- WINHZLLDWRZWRT-ATVHPVEESA-N 4814 CHEMBL535::N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide::N-[2-(diethylamino)ethyl]-5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxamide::SU11248::SUNITINIB::SUNITINIB MALATE::US10464902, Sunitinib::US9163010, Sunitinib::US9914707, SU11248 Serine/threonine-protein kinase Nek2 1400 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=4814&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search B49 6NG0,4KS8,3G0F,3G0E,2Y7J,6JOK,6M11,3MIY,3TI1,4QMZ,6V0X,6NFZ,6NFY,4AGD 5329102 8034462 38940 CHEMBL535 DB01268 5713 ZINC03964325 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50692262 O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1 InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+ YYLKKYCXAOBSRM-JXMROGBWSA-N 50355496 CHEMBL1908397 Serine/threonine-protein kinase Nek2 5300 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355496 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355496&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 11427553 136959520 CHEMBL1908397 ZINC43201999 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50678091 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) BCFGMOOMADDAQU-UHFFFAOYSA-N 5445 CHEMBL554::GW572016::LAPATINIB DITOSYLATE::Lapatinib::N-{3-chloro-4-[(3-fluoro-benzyl)oxy]phenyl}-6-[5-({2-(methylsulfonyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamine::N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine::Tykerb::US10507209, Compound Lapatinib::US10822334, Compound Lapatinib::US9730934, Lapatinib ditosylate::cid_208908 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=5445 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=5445&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search FMM 1XKK,3BBT 208908 8035064 49603 CHEMBL554 DB01259 5692 ZINC01550477 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50683774 C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1 UJLAWZDWDVHWOW-YPMHNXCESA-N 50193995 3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile::3-(4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile::3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile::CHEMBL221959::CP-690550::TOFACITINIB CITRATE::Tofacitinib::Tofacitinib citrate (1)::US10112907, Example 00035::US10399979, Compound Tofacitinib::US10766894, Compound TABLE 1.20::US10875847, Compound Tofacitinib::US11078206, Example Tofacitinib::US11203595, TABLE 1.20::US11339167, Example Tofacitinib Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50193995 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50193995&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search MI1 3LXK,3LXN,4OTI,3EYG,3FUP 9926791 104076339 71200 CHEMBL221959 DB08183 5677 ZINC03818808 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50683801 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1 InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28) MPVGZUGXCQEXTM-UHFFFAOYSA-N 21079 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methyl-phenyl)urea::1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea::1-[4-(3-azanyl-1H-indazol-4-yl)phenyl]-3-(2-fluoranyl-5-methyl-phenyl)urea::3-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)urea::ABT-869::Aminoindazole, 3::CHEMBL223360::cid_11485656 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21079 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21079&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 11485656 49689152 CHEMBL223360 5657 ZINC06718813 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50691054 CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25) CDMGBJANTYXAIV-UHFFFAOYSA-N 13336 4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-1H-imidazol-5-yl]pyridine::4-[4-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine::4-{4-(4-fluorophenyl)-2-[4-(methylsulfinyl)phenyl]-1H-imidazol-5-yl}pyridine::CHEMBL10::SB-203580::SB203580::cid_176155 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13336&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 1A9U,1PME,2EWA 176155 46513744 CHEMBL10 5269 ZINC96006137 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50691068 CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37) ODPGGGTTYSGTGO-UHFFFAOYSA-N 31085 1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[[6-(methylamino)-4-pyrimidinyl]oxy]phenyl]urea::1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]urea::1-[4-[(4-ethylpiperazino)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]urea::AST-487::cid_11409972 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31085 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31085&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 11409972 252615335 5661 ZINC23247639 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50704112 CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@@H](O)CC[C@]12C InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-26,28-29H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,26+,27-/m1/s1 ZXFBTQCKAZQQFA-CNIJLMKKSA-N 50358243 CHEMBL1922224 Serine/threonine-protein kinase Nek2 >100000 ChEMBL 10.1016/j.bmc.2011.09.028 10.7270/Q2HX1D38 21982797 Lai, D; Yu, S; van Ofwegen, L; Totzke, F; Proksch, P; Lin, W Peking University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358243 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358243&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 54764923 136962267 CHEMBL1922224 ZINC73196212 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50704113 CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C InChI=1S/C27H40O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h6,8-9,11,17-18,20,23-25,28H,7,10,12-16H2,1-5H3/b8-6+/t20-,23+,24-,25+,27-/m1/s1 MDPPOIXSNMVHOD-FBPKMIEBSA-N 50358244 CALICOFEROL A Serine/threonine-protein kinase Nek2 >100000 ChEMBL 10.1016/j.bmc.2011.09.028 10.7270/Q2HX1D38 21982797 Lai, D; Yu, S; van Ofwegen, L; Totzke, F; Proksch, P; Lin, W Peking University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358244 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358244&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 9547698 136962268 ZINC38791899 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50704114 CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C InChI=1S/C28H42O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-26,29H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,28-/m1/s1 HEUHMWCGNUTYFR-SOVKOMHZSA-N 50358245 CHEMBL1922225 Serine/threonine-protein kinase Nek2 >100000 ChEMBL 10.1016/j.bmc.2011.09.028 10.7270/Q2HX1D38 21982797 Lai, D; Yu, S; van Ofwegen, L; Totzke, F; Proksch, P; Lin, W Peking University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358245 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358245&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 10047202 136962269 CHEMBL1922225 ZINC73196506 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50704115 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C InChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-25,28H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,27-/m1/s1 OZROZYIBIZOAQQ-DLBXBJKMSA-N 50358246 CHEMBL456936 Serine/threonine-protein kinase Nek2 >100000 ChEMBL 10.1016/j.bmc.2011.09.028 10.7270/Q2HX1D38 21982797 Lai, D; Yu, S; van Ofwegen, L; Totzke, F; Proksch, P; Lin, W Peking University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358246&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 5283685 136962270 CHEMBL456936 ZINC33820639 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50704116 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C InChI=1S/C27H44O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-26,28-29H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,26-,27-/m1/s1 RAIDHOLJIAWOMY-DKQGWWAXSA-N 50358247 ASTROGORGIADIOL Serine/threonine-protein kinase Nek2 >100000 ChEMBL 10.1016/j.bmc.2011.09.028 10.7270/Q2HX1D38 21982797 Lai, D; Yu, S; van Ofwegen, L; Totzke, F; Proksch, P; Lin, W Peking University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358247&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 5283727 136962271 ZINC33820668 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50704117 CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C InChI=1S/C27H42O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-23,25-26,28,30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,25+,26+,27+/m1/s1 USFQLAVWHQCNDG-AYEIPMSGSA-N 50358248 CHEMBL456294 Serine/threonine-protein kinase Nek2 >100000 ChEMBL 10.1016/j.bmc.2011.09.028 10.7270/Q2HX1D38 21982797 Lai, D; Yu, S; van Ofwegen, L; Totzke, F; Proksch, P; Lin, W Peking University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358248 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358248&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 9547398 136962272 CHEMBL456294 ZINC38791692 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50704118 CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C InChI=1S/C28H44O2/c1-18(2)19(3)7-8-21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h9,11,17-18,21,24-27,29-30H,3,7-8,10,12-16H2,1-2,4-6H3/t21-,24+,25-,26+,27-,28-/m1/s1 GKFHBWBDOADOEV-HFOUWSASSA-N 50358249 CHEMBL515982 Serine/threonine-protein kinase Nek2 >100000 ChEMBL 10.1016/j.bmc.2011.09.028 10.7270/Q2HX1D38 21982797 Lai, D; Yu, S; van Ofwegen, L; Totzke, F; Proksch, P; Lin, W Peking University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358249 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358249&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 10024683 136962273 CHEMBL515982 ZINC34105357 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50704119 CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C InChI=1S/C27H44O3/c1-17(2)7-6-8-19(4)26-25(30)16-23-22(24(29)13-14-27(23,26)5)12-10-20-15-21(28)11-9-18(20)3/h9,11,15,17,19,22-26,28-30H,6-8,10,12-14,16H2,1-5H3/t19-,22+,23+,24-,25+,26+,27+/m1/s1 XXLLTYLTCDARFZ-OHSNSYSLSA-N 50358250 CALICOFEROL B Serine/threonine-protein kinase Nek2 >100000 ChEMBL 10.1016/j.bmc.2011.09.028 10.7270/Q2HX1D38 21982797 Lai, D; Yu, S; van Ofwegen, L; Totzke, F; Proksch, P; Lin, W Peking University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50358250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50358250&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 10047545 136962274 ZINC40873362 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50694197 COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 InChI=1S/C34H36F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3,5-9,12,19-22H,2,4,10-11,13-18H2,1H3,(H,38,41)(H,39,42) SEJGTFPOEJWEGG-UHFFFAOYSA-N 50355504 CHEMBL1908393 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355504 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355504&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 57399640 136959528 CHEMBL1908393 ZINC73140828 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50703258 [O-][n+]1ccc2c(ccnc2c1-c1c(Cl)cccc1Cl)-c1ccc(F)cc1Cl InChI=1S/C20H10Cl3FN2O/c21-15-2-1-3-16(22)18(15)20-19-14(7-9-26(20)27)12(6-8-25-19)13-5-4-11(24)10-17(13)23/h1-10H AUZOBOALIFKXNA-UHFFFAOYSA-N 50357884 CHEMBL1916359 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1021/jm200975u 10.7270/Q2MW2HKR 21999461 Lumeras, W; Vidal, L; Vidal, B; Balague, C; Orellana, A; Maldonado, M; Dominguez, M; Segarra, V; Caturla, F Rhône-Poulenc Rorer http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50357884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50357884&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 24896769 136961908 CHEMBL1916359 ZINC73162320 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50694449 CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1 XQVVPGYIWAGRNI-JOCHJYFZSA-N 25121 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide::BI 2536::CHEMBL513909::US10450297, Example 300::US8598172, 5 Serine/threonine-protein kinase Nek2 2000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25121 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25121&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search R78 4OGI,6MF9,6BQQ,7K0U,2RKU,6CW0,7LAI,4O74,4PY6,4I5M,5TCM,5C8G,5VBQ,7L9G,7L9L,7N7M 11364421 56374263 CHEMBL513909 5666 ZINC13986815 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50693100 CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 InChI=1S/C26H32N6O2/c1-31(2)17-24(33)32-12-10-18(11-13-32)20-8-9-23(22(14-20)19-6-4-3-5-7-19)30-26(34)25-28-16-21(15-27)29-25/h6,8-9,14,16,18H,3-5,7,10-13,17H2,1-2H3,(H,28,29)(H,30,34) GUBJNPWVIUFSTR-UHFFFAOYSA-N 50355499 CHEMBL1908395::CHEMBL1908842 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355499 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355499&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 11676971 136959523 CHEMBL1908842CHEMBL1908395 ZINC38226716 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50693158 COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25) ZNOLRTPMNMPLHY-UHFFFAOYSA-N 50309910 CHEMBL608154::ML-120B::N-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-2-methylnicotinamide Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50309910 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50309910&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 9929127 104164271 CHEMBL608154 5694 ZINC06717113 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50697395 Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37) HHZIURLSWUIHRB-UHFFFAOYSA-N 50237710 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide::AMN 107::AMN107::CHEMBL255863::NILOTINIB::US11649218, Example Nilotinib Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237710&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search NIL 5MO4,3CS9,3GP0 644241 104056419 52172 CHEMBL255863 DB04868 5697 ZINC06716957 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50696112 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1 InChI=1S/C28H30N6OS/c1-20-5-10-24(16-25(20)31-28-32-26(19-36-28)23-4-3-11-29-17-23)30-27(35)22-8-6-21(7-9-22)18-34-14-12-33(2)13-15-34/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,30,35)(H,31,32) WJEOLQLKVOPQFV-UHFFFAOYSA-N 50355495 CHEMBL1908391 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355495 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355495&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search G65 7TVX,5MQL,7JU7 10074640 136959519 63450 CHEMBL1908391 ZINC34177219 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50697512 Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24) GFMMXOIFOQCCGU-UHFFFAOYSA-N 50132260 2-(2-Chloro-4-iodo-phenylamino)-N-cyclopropylmethoxy-3,4-difluoro-benzamide::2-(2-chloro-4-iodophenylamino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide::CHEMBL105442::CI-1040::PD-18435::PD-184352::US8575391, 341 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50132260 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50132260&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 6918454 104023279 CHEMBL105442 5676 ZINC01489691 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50696240 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1 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 5931 BMS-387072::CHEMBL296468::N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide::N-[5-[[[5-(1,1-Dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4-piperidinecarboxamide::cid_3025986 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=5931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=5931&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 56H 5D1J 3025986 8035540 CHEMBL296468 5670 ZINC03816409 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50696290 COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1 InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38) UXXQOJXBIDBUAC-UHFFFAOYSA-N 13535 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide::4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-[4-(1-methylethoxy)phenyl]piperazine-1-carboxamide::4-[6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl]-N-(4-propan-2-yloxyphenyl)-1-piperazinecarboxamide::4-{6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-yl}-N-[4-(propan-2-yloxy)phenyl]piperazine-1-carboxamide::CHEMBL124660::MLN-518::MLN518::N-(4-isopropoxyphenyl)-4-[6-methoxy-7-(3-piperidinopropoxy)quinazolin-4-yl]piperazine-1-carboxamide::cid_3038522 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt.1990 10.7270/Q25D8S70 22037378 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13535&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 3038522 46513936 CHEMBL124660 DB05465 ZINC03966243 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50849296 CC(C)NCc1ccc(Nc2cc(n[nH]2)-c2ccc(cc2)-c2ccc(O)cc2O)cc1 InChI=1S/C25H26N4O2/c1-16(2)26-15-17-3-9-20(10-4-17)27-25-14-23(28-29-25)19-7-5-18(6-8-19)22-12-11-21(30)13-24(22)31/h3-14,16,26,30-31H,15H2,1-2H3,(H2,27,28,29) MYHOUKHXSVKHBA-UHFFFAOYSA-N 50222913 4'-{5-[4-(isopropylamino-methyl)-phenylamino]-2H-pyrazol-3-yl}-biphenyl-2,4-diol::CHEMBL398606 Serine/threonine-protein kinase Nek2 1040 ChEMBL 10.1021/jm0704604 10.7270/Q2K0754D 17887663 Teng, M; Zhu, J; Johnson, MD; Chen, P; Kornmann, J; Chen, E; Blasina, A; Register, J; Anderes, K; Rogers, C; Deng, Y; Ninkovic, S; Grant, S; Hu, Q; Lundgren, K; Peng, Z; Kania, RS Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50222913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50222913&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 11248502 104095122 CHEMBL398606 ZINC06718828 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50851797 Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3 InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29) AZTMYWWWILJAKW-UHFFFAOYSA-N 50224883 7-chloro-3-oxo-8-[(thiazol-5-ylmethyl)-amino]-11,16-dioxa-2,4,19,21-tetraaza-tricyclo[15.3.1.0*5,10*]henicosa-1(21),5,7,9,17,19-hexaene-18-crbonitrile::CHEMBL248757 Serine/threonine-protein kinase Nek2 >9242 ChEMBL 10.1016/j.bmcl.2007.09.063 10.7270/Q2X067WT 17935989 Tao, ZF; Chen, Z; Bui, MH; Kovar, P; Johnson, E; Bouska, J; Zhang, H; Rosenberg, S; Sowin, T; Lin, NH Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50224883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50224883&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 44444843 104096404 CHEMBL248757 ZINC28963230 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50870843 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- WINHZLLDWRZWRT-ATVHPVEESA-N 4814 CHEMBL535::N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide::N-[2-(diethylamino)ethyl]-5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxamide::SU11248::SUNITINIB::SUNITINIB MALATE::US10464902, Sunitinib::US9163010, Sunitinib::US9914707, SU11248 Serine/threonine-protein kinase Nek2 500 ChEMBL 10.1073/pnas.0707498104 10.7270/Q24X58QS 18077425 McDermott, U; Sharma, SV; Dowell, L; Greninger, P; Montagut, C; Lamb, J; Archibald, H; Raudales, R; Tam, A; Lee, D; Rothenberg, SM; Supko, JG; Sordella, R; Ulkus, LE; Iafrate, AJ; Maheswaran, S; Njauw, CN; Tsao, H; Drew, L; Hanke, JH; Ma, XJ; Erlander, MG; Gray, NS; Haber, DA; Settleman, J Harvard Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=4814&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search B49 6NG0,4KS8,3G0F,3G0E,2Y7J,6JOK,6M11,3MIY,3TI1,4QMZ,6V0X,6NFZ,6NFY,4AGD 5329102 8034462 38940 CHEMBL535 DB01268 5713 ZINC03964325 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50899649 C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1 UJLAWZDWDVHWOW-YPMHNXCESA-N 50193995 3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile::3-(4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile::3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile::CHEMBL221959::CP-690550::TOFACITINIB CITRATE::Tofacitinib::Tofacitinib citrate (1)::US10112907, Example 00035::US10399979, Compound Tofacitinib::US10766894, Compound TABLE 1.20::US10875847, Compound Tofacitinib::US11078206, Example Tofacitinib::US11203595, TABLE 1.20::US11339167, Example Tofacitinib Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50193995 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50193995&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search MI1 3LXK,3LXN,4OTI,3EYG,3FUP 9926791 104076339 71200 CHEMBL221959 DB08183 5677 ZINC03818808 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50899650 COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1 InChI=1S/C27H27N5O3/c1-18-13-21(8-11-25(18)35-22-9-6-19(2)29-15-22)32-27-23-14-20(7-10-24(23)30-17-31-27)5-4-12-28-26(33)16-34-3/h4-11,13-15,17H,12,16H2,1-3H3,(H,28,33)(H,30,31,32)/b5-4+ LLVZBTWPGQVVLW-SNAWJCMRSA-N 31340 2-methoxy-N-[(E)-3-[4-[3-methyl-4-(6-methylpyridin-3-yl)oxyanilino]quinazolin-6-yl]prop-2-enyl]acetamide::2-methoxy-N-[(E)-3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide::2-methoxy-N-[(E)-3-[4-[3-methyl-4-[(6-methyl-3-pyridyl)oxy]anilino]quinazolin-6-yl]allyl]acetamide::2-methoxy-N-[(E)-3-[4-[[3-methyl-4-(6-methylpyridin-3-yl)oxy-phenyl]amino]quinazolin-6-yl]prop-2-enyl]ethanamide::CHEMBL483321::CP-724714::cid_9874913 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31340&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 9874913 252615341 CHEMBL483321 ZINC03817105 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50899651 Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27) ZBNZXTGUTAYRHI-UHFFFAOYSA-N 13216 BMS-354825::CHEMBL1421::DASATINIB::N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl)]-2-methyl-4-pyrimidinyl]amino)]-1,3-thiazole-5-carboxamide::N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide::US10294227, Code Dasatinib::cid_3062316::med.21724, Compound Dasatinib Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13216&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 1N1 5BVW,5OWR,6FNM,6BSD,5I9Y,2ZVA,3OCT,7ERK,3QLG,3SXR,7N9G,4XLI,3OHT,2Y6O,3LFA,4XEY,2GQG,3K54,3G5D,4QMS,5VCV,5H2U 3062316 46513626 49375 CHEMBL1421 DB01254 5678 ZINC21982951 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50899652 CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+ WVUNYSQLFKLYNI-AATRIKPKSA-N 31090 (E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-ethoxy-6-quinolyl]-4-(dimethylamino)but-2-enamide::(E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide::(E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide::(E)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-3-cyano-7-ethoxy-quinolin-6-yl]-4-(dimethylamino)but-2-enamide::EKB-569::Pelitinib::cid_6445562 Serine/threonine-protein kinase Nek2 680 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31090&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 93J 7AXM,5VCW 6445562 252615337 38927 ZINC00602803 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50899653 COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) AAKJLRGGTJKAMG-UHFFFAOYSA-N 5446 CHEMBL553::ERLOTINIB HYDROCHLORIDE::Erlotinib::Erotinib::N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine Monohydrochloride::N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine::OSI-774::Tarceva::US10189853, erlotinib::US10507209, Compound Erlotinib::US11524945, Compound Erlotinib::US9409845, Table 1, Compound 22: erlotinib::US9730934, Erlotinib::WO2022090481, Example erlotinib::cid_176870 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=5446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=5446&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search AQ4 4HJO,6DWN,1M17 176870 8035065 114785 CHEMBL553 DB00530 4920 ZINC01546066 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50899654 CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1 BIIVYFLTOXDAOV-YVEFUNNKSA-N 5655 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4H-chromen-4-one::CHEMBL428690::Flavopiridol::US10294218, Example Flavopiridol::US9617225, Flavopiridol Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=5655 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=5655&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search CPB 1C8K,1E1Y,3BLR,3EBP,4O71 5287969 8035270 CHEMBL428690 DB03496 5680 ZINC21288966 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50899655 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) XGALLCVXEZPNRQ-UHFFFAOYSA-N 5447 CHEMBL939::GEFITINIB::Iressa::N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-[3-(4-morpholinyl)propoxy]-4-quinazolinamine::N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine::US10106508, Gefitinib::US10507209, Compound Gefitinib::US9416123, Gefitinib::US9730934, Gefitinib::US9783524, Gefitinib::WO2022090481, Example gefitinib::ZD1839::cid_123631 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=5447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=5447&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 2ITO,2ITY,2ITZ 123631 8035066 49668 CHEMBL939 DB00317 4941 ZINC19632614 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50899656 COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1 InChI=1S/C20H22N4O3/c1-25-16-6-3-13(4-7-16)12-27-17-8-5-14(10-18(17)26-2)9-15-11-23-20(22)24-19(15)21/h3-8,10-11H,9,12H2,1-2H3,(H4,21,22,23,24) MYQAUKPBNJWPIE-UHFFFAOYSA-N 32362 5-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine::GW-2580::[2-amino-5-(3-methoxy-4-p-anisyloxy-benzyl)pyrimidin-4-yl]amine::cid_11617559 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32362 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=32362&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search MUJ 4AT5 11617559 252615797 5685 ZINC13985942 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50899876 CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1 InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25) CUIHSIWYWATEQL-UHFFFAOYSA-N 26474 5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)-2-methylbenzene-1-sulfonamide::GW-786034::JMC514632 Compound 13::Pazopanib::cid_10113978 Serine/threonine-protein kinase Nek2 980 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26474&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 10113978 56464911 71219 DB06589 5698 ZINC11617039 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50899877 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34) KTUFNOKKBVMGRW-UHFFFAOYSA-N 13530 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide::CHEMBL941::Gleevec::Imatinib::Imatinib, 21::N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide::STI-571::STI571::US10906896, Cpd imatinib::US11649218, Example Imatinib::US9255107, Imatinib::cid_5291::imatinib-CD3::med.21724, Compound 6 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13530&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search STI 6HD6,6HD4,2HYY,4BKJ,2PL0,3GVU,6NPU,6NPV,6NPE,4CSV,3MS9,3MSS,4R7I,7N9G,2OIQ,1IEP,1XBB,3HEC,1T46,3FW1,3PYY,6VXH,6JOL,3K5V,5MQT,3OEZ,6KTN,1OPJ 5291 46513933 45783 CHEMBL941 DB00619 5687 ZINC19632618 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50899878 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F 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 6866 1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b::4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzene-1-sulfonamide::4-[[5-Amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-yl]amino]-benzenesulfonamide::CHEMBL191003::JNJ-7706621::cid_5330790 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=6866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=6866&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search SKE 5WIN,5USZ,5USY,5DR9,8B99,5OBR,6DRW,5DPV,5DR6,6P11,6P10,3AMA,4QMU,5DT0 5330790 8036422 CHEMBL191003 ZINC03938688 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50899879 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) BCFGMOOMADDAQU-UHFFFAOYSA-N 5445 CHEMBL554::GW572016::LAPATINIB DITOSYLATE::Lapatinib::N-{3-chloro-4-[(3-fluoro-benzyl)oxy]phenyl}-6-[5-({2-(methylsulfonyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamine::N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine::Tykerb::US10507209, Compound Lapatinib::US10822334, Compound Lapatinib::US9730934, Lapatinib ditosylate::cid_208908 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=5445 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=5445&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search FMM 1XKK,3BBT 208908 8035064 49603 CHEMBL554 DB01259 5692 ZINC01550477 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50896528 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1 InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28) MPVGZUGXCQEXTM-UHFFFAOYSA-N 21079 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methyl-phenyl)urea::1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea::1-[4-(3-azanyl-1H-indazol-4-yl)phenyl]-3-(2-fluoranyl-5-methyl-phenyl)urea::3-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)urea::ABT-869::Aminoindazole, 3::CHEMBL223360::cid_11485656 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21079 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21079&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 11485656 49689152 CHEMBL223360 5657 ZINC06718813 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50896529 CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12 InChI=1S/C22H23N5O/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28) RAHBGWKEPAQNFF-UHFFFAOYSA-N 24773 AMG 706::AMG-706::Motesanib::N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)-3-pyridinecarboxamide::N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide::N-(3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-2-[(pyridin-4-ylmethyl)amino]pyridine-3-carboxamide::N-(3,3-dimethylindolin-6-yl)-2-(4-pyridylmethylamino)nicotinamide::US10464902, Motesanib::cid_11667893 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=24773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=24773&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 706 3EFL 11667893 56269724 51098 5660 ZINC18710082 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50896530 CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37) ODPGGGTTYSGTGO-UHFFFAOYSA-N 31085 1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[[6-(methylamino)-4-pyrimidinyl]oxy]phenyl]urea::1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]urea::1-[4-[(4-ethylpiperazino)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]urea::AST-487::cid_11409972 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31085 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31085&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 11409972 252615335 5661 ZINC23247639 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50896531 CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1 InChI=1S/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33) QYZOGCMHVIGURT-UHFFFAOYSA-N 26300 2-{3-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}quinazolin-4-yl)amino]-1H-pyrazol-5-yl}-N-(3-fluorophenyl)acetamide::CHEMBL215152::cid_16007391::pyrazoloquinazoline deriv., 34 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26300&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search YJA 4C2V 16007391 56464737 CHEMBL215152 5663 ZINC16697102 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50896532 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) MVCOAUNKQVWQHZ-UHFFFAOYSA-N 13533 1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea::1-[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]-3-[4-[2-(4-morpholinyl)ethoxy]-1-naphthalenyl]urea::1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea::1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[4-(2-morpholinoethoxy)-1-naphthyl]urea::3-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea::3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea::BIRB 796::BIRB-796::BIRB-796, 3::CHEMBL103667::D3RKN_73::Doramapimod::US11407771, Compound 43::US8933228, BIRB 796::US9187470, 43 (BIRB-796)::US9242960, BIRB 796::US9260410, BIRB796::cid_156422::diaryl urea compound 10 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13533&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search B96 4JVG,1KV2,6GTT,5N66,4TWN,3NPC,3FZS 156422 46513934 CHEMBL103667 DB03044 5668 ZINC24044436 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50896533 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1 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 5931 BMS-387072::CHEMBL296468::N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide::N-[5-[[[5-(1,1-Dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4-piperidinecarboxamide::cid_3025986 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=5931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=5931&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 56H 5D1J 3025986 8035540 CHEMBL296468 5670 ZINC03816409 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50896534 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29) PIQCTGMSNWUMAF-UHFFFAOYSA-N 25118 (3Z)-4-amino-5-fluoro-3-[5-(4-methylpiperazino)-1,3-dihydrobenzimidazol-2-ylidene]carbostyril::4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1,2-dihydroquinolin-2-one::CHEMBL522892::CHIR-258 Serine/threonine-protein kinase Nek2 2000 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25118 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25118&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 9886808 56374260 CHEMBL522892 5962 ZINC03816310 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50896535 Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12 InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34) YABJJWZLRMPFSI-UHFFFAOYSA-N 31088 1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxy-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine::1-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]-2-benzimidazolamine::CHIR-265::[1-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridyl]oxy]benzimidazol-2-yl]-[4-(trifluoromethyl)phenyl]amine::cid_11656518 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31088&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 55J 5CT7 11656518 252615336 5674 ZINC18710085 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50896536 Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29) OMZCMEYTWSXEPZ-UHFFFAOYSA-N 4779 CHEMBL31965::CHEMBL545315::CI-1033::Canertinib::N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[3-(morpholin-4-yl)propoxy]quinazolin-6-yl}prop-2-enamide::PD0183805::US10507209, Compound CI-1033::US9730934, CI-1033::cid_156414 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=4779&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 156414 8034429 61399 CHEMBL31965CHEMBL545315 DB05424 5675 ZINC27439698 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50900987 CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1 ZCBUQCWBWNUWSU-SFHVURJKSA-N 17055 (18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-triazahexacyclo[19.6.1.1^{7,14}.0^{2,6}.0^{8,13}.0^{22,27}]nonacosa-1(28),2(6),7(29),8(13),9,11,22(27),23,25-nonaene-3,5-dione::(9S)-9-[(dimethylamino)methyl]-6,7,10,11-tetrahydro-9H,18H-5,21:12,17-di(metheno)dibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadiazacyclohexadecine-18,20(19H)-dione::K00587a::LY 333531::LY-333531::LY333531::Ruboxistaurin::cid_153999 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=17055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=17055&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search LY4 2J2I,1UU3 153999 46517285 5263 ZINC03812168 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50900988 COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1 InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38) UXXQOJXBIDBUAC-UHFFFAOYSA-N 13535 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide::4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-[4-(1-methylethoxy)phenyl]piperazine-1-carboxamide::4-[6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl]-N-(4-propan-2-yloxyphenyl)-1-piperazinecarboxamide::4-{6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-yl}-N-[4-(propan-2-yloxy)phenyl]piperazine-1-carboxamide::CHEMBL124660::MLN-518::MLN518::N-(4-isopropoxyphenyl)-4-[6-methoxy-7-(3-piperidinopropoxy)quinazolin-4-yl]piperazine-1-carboxamide::cid_3038522 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13535&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 3038522 46513936 CHEMBL124660 DB05465 ZINC03966243 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50900989 OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32) HHFBDROWDBDFBR-UHFFFAOYSA-N 31093 4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]benzoic acid::4-[[9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]benzoic acid::BDBM31832::CHEMBL259084::MLN-8054::cid_11712649 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31093&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search ZZL 2X81,5IA1,2WTW,2WTV 11712649 252615338 CHEMBL259084 5696 ZINC18825334 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50900990 Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2 TUVCWJQQGGETHL-UHFFFAOYSA-N 25045 3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin-2-yl)phenol::3-(4-morpholin-4-ylpyrido[3 ,2 :4,5]furo[3,2-d]pyrimidin-2-yl)phenol::3-(4-morpholinopyrido[2,3]furo[2,4-b]pyrimidin-2-yl)phenol::3-[4-(4-morpholinyl)-2-pyrido[2,3]furo[2,4-b]pyrimidinyl]phenol::3-[6-(morpholin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaen-4-yl]phenol::CHEMBL538346::PI-103::US9637488, PI-103::cid_9884685::mTOR Inhibitor, PI103::pyridofuropyrimidine derivative, 2 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25045 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25045&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search X6K 2X6K,4L23,4JT6 9884685 56374189 CHEMBL538346 5701 ZINC03963016 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50900992 Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1 InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25) YCOYDOIWSSHVCK-UHFFFAOYSA-N 4851 (4-chlorophenyl)-[4-(4-pyridylmethyl)phthalazin-1-yl]amine::(A) PTK787::CGP 79787::CHEMBL101253::CHEMBL75232::N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)-1-phthalazinamine::N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine::PTK-787::PTK787::ZK222584::cid_151194 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=4851&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 151194 8034494 CHEMBL75232CHEMBL101253 DB04879 6052 ZINC00007460 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50901204 CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 BTIHMVBBUGXLCJ-OAHLLOKOSA-N 7533 (2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]butan-1-ol::(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol::(2R)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]-1-butanol::(2R)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol::(2R)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}butan-1-ol::(R)-Roscovitine::2,6,9-Trisubstituted purine deriv. 28::CHEMBL14762::CYC-202::Roscovitine::cid_160355 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=7533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=7533&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search RRC 3DDQ,1YGK,2A4L,1UNL 160355 11108321 CHEMBL14762 6035 ZINC01649340 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50901205 Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24) QHKYPYXTTXKZST-UHFFFAOYSA-N 13531 4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)-1H-imidazole::4-[4-(4-Fluorophenyl)-5-(4-pyridinyl)-1H-imidazol-2-yl]phenol::4-[4-(4-fluorophenyl)-5-(4-pyridyl)-4-imidazolin-2-ylidene]cyclohexa-2,5-dien-1-one::4-[5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-imidazol-2-yl]phenol::SB-202190::SB202190::biotinylated SB202190 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13531&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 5353940 172097219 ZINC14951176 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50901206 CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25) CDMGBJANTYXAIV-UHFFFAOYSA-N 13336 4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-1H-imidazol-5-yl]pyridine::4-[4-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine::4-{4-(4-fluorophenyl)-2-[4-(methylsulfinyl)phenyl]-1H-imidazol-5-yl}pyridine::CHEMBL10::SB-203580::SB203580::cid_176155 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13336&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 1A9U,1PME,2EWA 176155 46513744 CHEMBL10 5269 ZINC96006137 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50901207 NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1 InChI=1S/C22H16N4O3/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H2,23,27)(H,25,26) FHYUGAJXYORMHI-UHFFFAOYSA-N 50110208 4-(4-(benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl)benzamide::4-(4-Benzo[1,3]dioxol-5-yl-5-pyridin-2-yl-1H-imidazol-2-yl)-benzamide::4-(5-(benzo[d][1,3]dioxol-5-yl)-4-(pyridin-2-yl)-1H-imidazol-2-yl)benzamide::4-(5-benzo[1,3]dioxol-5-yl-4-pyridin-2-yl-1H-imidazol-2-yl)-benzamide::CHEMBL440084::SB-431542::cid_4521392 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110208 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110208&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 085 3TZM 4521392 104005054 CHEMBL440084 ZINC00603769 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50901208 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) MLDQJTXFUGDVEO-UHFFFAOYSA-N 16673 4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide::4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-picolinamide;tosylic acid::BAY 43-9006::BAY 439006::BAY439006::CHEMBL1336::Hit compound, 8::Nexavar::Sorafenib::Sorafenib, 4::US10183928, Sorafenib::US10202365, Compound Sorafenib::US10227329, Compound Sorafenib::US10584114, Compound Sorafenib::US10774070, Compound Sorafenib::US10980809, Example Sorafenib::US11279688, Compound Sorafenib::US11505527, Compound Sorafenib::US9029401, Sorafenib::US9469639, Sorafenib::US9902709, Comparative example 1::Xarelto::cid_216239 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16673 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16673&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search BAX 3GCS,4ASD,3WZE,5HI2,3HEG,1UWH,1UWJ,3RGF 216239 46516901 50924 CHEMBL1336 DB00398 5711 ZINC01493878 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50901210 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1 InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1 CTNPALGJUAXMMC-PMFHANACSA-N 31095 5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(2S)-3-morpholin-4-yl-2-oxidanyl-propyl]-1H-pyrrole-3-carboxamide::5-[(Z)-(5-fluoro-2-keto-indolin-3-ylidene)methyl]-N-[(2S)-2-hydroxy-3-morpholino-propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide::5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-2-hydroxy-3-(4-morpholinyl)propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide::5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide::SU-14813::cid_10138259 Serine/threonine-protein kinase Nek2 1100 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31095&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 10138259 252615339 ZINC18825344 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50901211 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- WINHZLLDWRZWRT-ATVHPVEESA-N 4814 CHEMBL535::N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide::N-[2-(diethylamino)ethyl]-5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxamide::SU11248::SUNITINIB::SUNITINIB MALATE::US10464902, Sunitinib::US9163010, Sunitinib::US9914707, SU11248 Serine/threonine-protein kinase Nek2 1400 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=4814&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search B49 6NG0,4KS8,3G0F,3G0E,2Y7J,6JOK,6M11,3MIY,3TI1,4QMZ,6V0X,6NFZ,6NFY,4AGD 5329102 8034462 38940 CHEMBL535 DB01268 5713 ZINC03964325 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50901212 CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) GCIKSSRWRFVXBI-UHFFFAOYSA-N 13534 CHEMBL572878::N-[4-({4-[(3-methyl-1H-pyrazol-5-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl}sulfanyl)phenyl]cyclopropanecarboxamide::N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thio]phenyl]cyclopropanecarboxamide::VX-680::VX680::cyclopropane carboxylic acid {4-[4-(4-methyl-piperazin-1-yl)-6-(5-methyl-2H-pyrazol-3-ylamino)-pyrimidin-2ylsulphanyl]-phenyl}-amide Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13534&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search VX6 2F4J,6GR9,6BRJ,3E5A,4ZOG,4B8M,5WNM,3AMB,4JBQ,4AF3,2XYN 5494449 46513935 CHEMBL572878 5718 ZINC03820040 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50901213 Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H VEPKQEUBKLEPRA-UHFFFAOYSA-N 15244 5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpyrimido[1,6-b]pyridazin-6-one::5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-a]pyridazin-6-one::5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)thio]-6-pyrimido[1,6-b]pyridazinone::5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)thio]pyrimido[1,6-b]pyridazin-6-one::5-(2,6-dichlorophenyl)-9-(2,4-difluorophenyl)sulfanyl-1,3,10-triazabicyclo[4.4.0]deca-2,5,7,9-tetraen-4-one::5-[2,6-bis(chloranyl)phenyl]-2-[2,4-bis(fluoranyl)phenyl]sulfanyl-pyrimido[1,6-b]pyridazin-6-one::VX-745::VX745::cid_3038525 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15244 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15244&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 52P 3ZSI,3HP5,3FC1 3038525 46515551 DB07138 ZINC13493055 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50901214 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1 InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27) UHTHHESEBZOYNR-UHFFFAOYSA-N 21 CHEMBL24828::N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine::VANDETANIB::ZD-6474::ZD6474::cid_3081361 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1038/nbt1358 10.7270/Q2TT4RX2 18183025 Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search ZD6 2IVU 3081361 8030012 49960 CHEMBL24828 DB08764 ZINC03834198 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50920063 CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25) RHGZQGXELRMGES-UHFFFAOYSA-N 50329198 2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-ylamino)isothiazol-3-yl)methyl)amino)-2-methylpropan-1-ol::2-{ethyl[(5-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}isothiazol-3-yl)methyl]amino}-2-methylpropan-1-ol::CHEMBL1232515::CHEMBL1650533 Serine/threonine-protein kinase Nek2 >100 ChEMBL 10.1021/jm1010995 10.7270/Q2VM4D76 21128646 Kerekes, AD; Esposite, SJ; Tagat, JR; Xiao, Y; Terracina, GA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329198 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329198&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search EML 3MYG 25144732 123108313 CHEMBL1232515CHEMBL1650533 ZINC58660958 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50920121 Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1 InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25) JVAFTPDILUBIGR-UHFFFAOYSA-N 50335188 CHEMBL1650545::CHEMBL1650551::N-[3-[(3,3-Difluoro-1-pyrrolidinyl)methyl]-5-isothiazolyl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine Hydrochloride Serine/threonine-protein kinase Nek2 >100 ChEMBL 10.1021/jm1010995 10.7270/Q2VM4D76 21128646 Kerekes, AD; Esposite, SJ; Tagat, JR; Xiao, Y; Terracina, GA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50335188 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50335188&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 25145145 125085290 CHEMBL1650545CHEMBL1650551 ZINC66101759 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50927256 CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCNCC1 InChI=1S/C21H26N8S/c1-30-16-5-3-2-4-15(16)26-20-17-18(19(25-13-24-17)23-12-14-6-7-14)27-21(28-20)29-10-8-22-9-11-29/h2-5,13-14,22H,6-12H2,1H3,(H,23,24,25)(H,26,27,28) HFLMLZKGLUEWBU-UHFFFAOYSA-N 50380246 CHEMBL2017214 Serine/threonine-protein kinase Nek2 >40000 ChEMBL 10.1021/ml200070g 10.7270/Q2NZ88N1 24900346 Maryanoff, BE; McComsey, DF; Yabut, SC; Luci, DK; Jordan, AD; Masucci, JA; Jones, WJ; Abad, MC; Gibbs, AC; Petrounia, I TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50380246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50380246&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search XNB 3Q92 53348216 160859329 CHEMBL2017214 ZINC72316202 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50941251 CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cccc(CN(C)C)c1)c1ccccc1C(F)(F)F InChI=1S/C30H29F3N4O2/c1-18(23-9-4-5-10-26(23)30(31,32)33)39-27-15-21(11-12-24(27)29(35)38)25-14-22(16-36-28(25)34)20-8-6-7-19(13-20)17-37(2)3/h4-16,18H,17H2,1-3H3,(H2,34,36)(H2,35,38) SJDSHZKOFYRALI-UHFFFAOYSA-N 50385913 CHEMBL2042032 Serine/threonine-protein kinase Nek2 210 ChEMBL 10.1021/jm201683b 10.7270/Q2Q81F4F 22404346 Innocenti, P; Cheung, KM; Solanki, S; Mas-Droux, C; Rowan, F; Yeoh, S; Boxall, K; Westlake, M; Pickard, L; Hardy, T; Baxter, JE; Aherne, GW; Bayliss, R; Fry, AM; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385913&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 57386804 160864996 CHEMBL2042032 ZINC84654627 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50941262 C[C@@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)\C=C/C(F)(F)F InChI=1S/C24H25F3N4O2S/c1-14(6-7-24(25,26)27)33-20-10-16(4-5-18(20)23(29)32)19-9-17(11-30-22(19)28)21-8-15(13-34-21)12-31(2)3/h4-11,13-14H,12H2,1-3H3,(H2,28,30)(H2,29,32)/b7-6-/t14-/m1/s1 LLEOOSLUHRQCHZ-LMVHVUTASA-N 50385915 CHEMBL2042135 Serine/threonine-protein kinase Nek2 800 ChEMBL 10.1021/jm201683b 10.7270/Q2Q81F4F 22404346 Innocenti, P; Cheung, KM; Solanki, S; Mas-Droux, C; Rowan, F; Yeoh, S; Boxall, K; Westlake, M; Pickard, L; Hardy, T; Baxter, JE; Aherne, GW; Bayliss, R; Fry, AM; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385915&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search GGY 4AFE 56947170 160864998 CHEMBL2042135 ZINC84655247 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50941263 C[C@@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)c1ccccc1C(F)(F)F InChI=1S/C28H27F3N4O2S/c1-16(20-6-4-5-7-23(20)28(29,30)31)37-24-12-18(8-9-21(24)27(33)36)22-11-19(13-34-26(22)32)25-10-17(15-38-25)14-35(2)3/h4-13,15-16H,14H2,1-3H3,(H2,32,34)(H2,33,36)/t16-/m1/s1 DNZGEPPZYMAFLN-MRXNPFEDSA-N 50385916 CHEMBL2042136 Serine/threonine-protein kinase Nek2 2700 ChEMBL 10.1021/jm201683b 10.7270/Q2Q81F4F 22404346 Innocenti, P; Cheung, KM; Solanki, S; Mas-Droux, C; Rowan, F; Yeoh, S; Boxall, K; Westlake, M; Pickard, L; Hardy, T; Baxter, JE; Aherne, GW; Bayliss, R; Fry, AM; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385916&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search JUP 4A4X 56947168 160864999 CHEMBL2042136 ZINC84655195 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50941264 CC(Oc1cc(ccc1C(N)=O)-c1nc(cnc1N)-c1ccc(CN(C)C)cc1)c1ccccc1C(F)(F)F InChI=1S/C29H28F3N5O2/c1-17(21-6-4-5-7-23(21)29(30,31)32)39-25-14-20(12-13-22(25)28(34)38)26-27(33)35-15-24(36-26)19-10-8-18(9-11-19)16-37(2)3/h4-15,17H,16H2,1-3H3,(H2,33,35)(H2,34,38) GWVVKACJTNKJAO-UHFFFAOYSA-N 50385917 CHEMBL2042029 Serine/threonine-protein kinase Nek2 790 ChEMBL 10.1021/jm201683b 10.7270/Q2Q81F4F 22404346 Innocenti, P; Cheung, KM; Solanki, S; Mas-Droux, C; Rowan, F; Yeoh, S; Boxall, K; Westlake, M; Pickard, L; Hardy, T; Baxter, JE; Aherne, GW; Bayliss, R; Fry, AM; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385917&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 57386289 160865000 CHEMBL2042029 ZINC84712425 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50941265 CC(Oc1cc(ccc1C(N)=O)-c1nc(cnc1N)-c1cccc(CN(C)C)c1)c1ccccc1C(F)(F)F InChI=1S/C29H28F3N5O2/c1-17(21-9-4-5-10-23(21)29(30,31)32)39-25-14-20(11-12-22(25)28(34)38)26-27(33)35-15-24(36-26)19-8-6-7-18(13-19)16-37(2)3/h4-15,17H,16H2,1-3H3,(H2,33,35)(H2,34,38) QJRLRIHVMQQFHO-UHFFFAOYSA-N 50385918 CHEMBL2042030 Serine/threonine-protein kinase Nek2 2470 ChEMBL 10.1021/jm201683b 10.7270/Q2Q81F4F 22404346 Innocenti, P; Cheung, KM; Solanki, S; Mas-Droux, C; Rowan, F; Yeoh, S; Boxall, K; Westlake, M; Pickard, L; Hardy, T; Baxter, JE; Aherne, GW; Bayliss, R; Fry, AM; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385918&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 57386290 160865001 CHEMBL2042030 ZINC84712429 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50941266 CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1ccc(CN(C)C)cc1)c1ccccc1C(F)(F)F InChI=1S/C30H29F3N4O2/c1-18(23-6-4-5-7-26(23)30(31,32)33)39-27-15-21(12-13-24(27)29(35)38)25-14-22(16-36-28(25)34)20-10-8-19(9-11-20)17-37(2)3/h4-16,18H,17H2,1-3H3,(H2,34,36)(H2,35,38) KPYFHKXGOZSVEX-UHFFFAOYSA-N 50385919 CHEMBL2042031 Serine/threonine-protein kinase Nek2 120 ChEMBL 10.1021/jm201683b 10.7270/Q2Q81F4F 22404346 Innocenti, P; Cheung, KM; Solanki, S; Mas-Droux, C; Rowan, F; Yeoh, S; Boxall, K; Westlake, M; Pickard, L; Hardy, T; Baxter, JE; Aherne, GW; Bayliss, R; Fry, AM; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385919&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 57386803 160865002 CHEMBL2042031 ZINC84654622 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50941267 CC(Oc1cc(ccc1C(N)=O)-c1nc(cnc1N)-c1ccc(CN(C)C)s1)c1ccccc1C(F)(F)F InChI=1S/C27H26F3N5O2S/c1-15(18-6-4-5-7-20(18)27(28,29)30)37-22-12-16(8-10-19(22)26(32)36)24-25(31)33-13-21(34-24)23-11-9-17(38-23)14-35(2)3/h4-13,15H,14H2,1-3H3,(H2,31,33)(H2,32,36) JBRZKYLSQYOAJO-UHFFFAOYSA-N 50385920 CHEMBL2042033 Serine/threonine-protein kinase Nek2 2680 ChEMBL 10.1021/jm201683b 10.7270/Q2Q81F4F 22404346 Innocenti, P; Cheung, KM; Solanki, S; Mas-Droux, C; Rowan, F; Yeoh, S; Boxall, K; Westlake, M; Pickard, L; Hardy, T; Baxter, JE; Aherne, GW; Bayliss, R; Fry, AM; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385920 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385920&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 57386291 160865003 CHEMBL2042033 ZINC84655409 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50941268 CC(Oc1cc(ccc1C(N)=O)-c1nc(cnc1N)-c1cc(CN(C)C)cs1)c1ccccc1C(F)(F)F InChI=1S/C27H26F3N5O2S/c1-15(18-6-4-5-7-20(18)27(28,29)30)37-22-11-17(8-9-19(22)26(32)36)24-25(31)33-12-21(34-24)23-10-16(14-38-23)13-35(2)3/h4-12,14-15H,13H2,1-3H3,(H2,31,33)(H2,32,36) BXNYUDMLUGTVPR-UHFFFAOYSA-N 50385921 CHEMBL2042034 Serine/threonine-protein kinase Nek2 2630 ChEMBL 10.1021/jm201683b 10.7270/Q2Q81F4F 22404346 Innocenti, P; Cheung, KM; Solanki, S; Mas-Droux, C; Rowan, F; Yeoh, S; Boxall, K; Westlake, M; Pickard, L; Hardy, T; Baxter, JE; Aherne, GW; Bayliss, R; Fry, AM; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385921 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385921&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 57386292 160865004 CHEMBL2042034 ZINC84655412 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50941269 CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1ccc(CN(C)C)s1)c1ccccc1C(F)(F)F InChI=1S/C28H27F3N4O2S/c1-16(20-6-4-5-7-23(20)28(29,30)31)37-24-13-17(8-10-21(24)27(33)36)22-12-18(14-34-26(22)32)25-11-9-19(38-25)15-35(2)3/h4-14,16H,15H2,1-3H3,(H2,32,34)(H2,33,36) AKWNDIGQZONPHP-UHFFFAOYSA-N 50385922 CHEMBL2042035 Serine/threonine-protein kinase Nek2 47 ChEMBL 10.1021/jm201683b 10.7270/Q2Q81F4F 22404346 Innocenti, P; Cheung, KM; Solanki, S; Mas-Droux, C; Rowan, F; Yeoh, S; Boxall, K; Westlake, M; Pickard, L; Hardy, T; Baxter, JE; Aherne, GW; Bayliss, R; Fry, AM; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385922 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385922&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 57386805 160865005 CHEMBL2042035 ZINC84655416 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50941270 CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(C)c(CN(C)C)s1)c1ccccc1C(F)(F)F InChI=1S/C29H29F3N4O2S/c1-16-11-25(39-26(16)15-36(3)4)19-12-22(27(33)35-14-19)18-9-10-21(28(34)37)24(13-18)38-17(2)20-7-5-6-8-23(20)29(30,31)32/h5-14,17H,15H2,1-4H3,(H2,33,35)(H2,34,37) CUQJLXJQXXVHHB-UHFFFAOYSA-N 50385923 CHEMBL2042036 Serine/threonine-protein kinase Nek2 47 ChEMBL 10.1021/jm201683b 10.7270/Q2Q81F4F 22404346 Innocenti, P; Cheung, KM; Solanki, S; Mas-Droux, C; Rowan, F; Yeoh, S; Boxall, K; Westlake, M; Pickard, L; Hardy, T; Baxter, JE; Aherne, GW; Bayliss, R; Fry, AM; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385923&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 57386806 160865006 CHEMBL2042036 ZINC84654425 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50941271 CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1sc(CN(C)C)cc1C)c1ccccc1C(F)(F)F InChI=1S/C29H29F3N4O2S/c1-16-11-20(15-36(3)4)39-26(16)19-12-23(27(33)35-14-19)18-9-10-22(28(34)37)25(13-18)38-17(2)21-7-5-6-8-24(21)29(30,31)32/h5-14,17H,15H2,1-4H3,(H2,33,35)(H2,34,37) OQOJDWGAZXHBJD-UHFFFAOYSA-N 50385924 CHEMBL2042037 Serine/threonine-protein kinase Nek2 58 ChEMBL 10.1021/jm201683b 10.7270/Q2Q81F4F 22404346 Innocenti, P; Cheung, KM; Solanki, S; Mas-Droux, C; Rowan, F; Yeoh, S; Boxall, K; Westlake, M; Pickard, L; Hardy, T; Baxter, JE; Aherne, GW; Bayliss, R; Fry, AM; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385924&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 57387050 160865007 CHEMBL2042037 ZINC84654429 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50941289 CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cccs1)c1ccccc1C(F)(F)F InChI=1S/C25H20F3N3O2S/c1-14(17-5-2-3-6-20(17)25(26,27)28)33-21-12-15(8-9-18(21)24(30)32)19-11-16(13-31-23(19)29)22-7-4-10-34-22/h2-14H,1H3,(H2,29,31)(H2,30,32) PZKKEOGCYNWGSA-UHFFFAOYSA-N 50385925 CHEMBL2042137 Serine/threonine-protein kinase Nek2 9000 ChEMBL 10.1021/jm201683b 10.7270/Q2Q81F4F 22404346 Innocenti, P; Cheung, KM; Solanki, S; Mas-Droux, C; Rowan, F; Yeoh, S; Boxall, K; Westlake, M; Pickard, L; Hardy, T; Baxter, JE; Aherne, GW; Bayliss, R; Fry, AM; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385925 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385925&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 57387053 160865008 CHEMBL2042137 ZINC84711822 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50941290 COc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1 InChI=1S/C20H22N4O2S/c1-24(2)10-12-6-18(27-11-12)14-7-16(19(21)23-9-14)13-4-5-15(20(22)25)17(8-13)26-3/h4-9,11H,10H2,1-3H3,(H2,21,23)(H2,22,25) GWPGDICAWPUGDP-UHFFFAOYSA-N 50385926 CHEMBL2042138 Serine/threonine-protein kinase Nek2 2260 ChEMBL 10.1021/jm201683b 10.7270/Q2Q81F4F 22404346 Innocenti, P; Cheung, KM; Solanki, S; Mas-Droux, C; Rowan, F; Yeoh, S; Boxall, K; Westlake, M; Pickard, L; Hardy, T; Baxter, JE; Aherne, GW; Bayliss, R; Fry, AM; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385926 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385926&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 57387300 160865009 CHEMBL2042138 ZINC84712625 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50941291 COc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cccs1 InChI=1S/C17H15N3O2S/c1-22-14-8-10(4-5-12(14)17(19)21)13-7-11(9-20-16(13)18)15-3-2-6-23-15/h2-9H,1H3,(H2,18,20)(H2,19,21) QXFRDBIIQWQGLZ-UHFFFAOYSA-N 50385927 CHEMBL2042139 Serine/threonine-protein kinase Nek2 10500 ChEMBL 10.1021/jm201683b 10.7270/Q2Q81F4F 22404346 Innocenti, P; Cheung, KM; Solanki, S; Mas-Droux, C; Rowan, F; Yeoh, S; Boxall, K; Westlake, M; Pickard, L; Hardy, T; Baxter, JE; Aherne, GW; Bayliss, R; Fry, AM; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385927 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385927&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 57387054 160865010 CHEMBL2042139 ZINC84708984 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50941297 CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1ccc(CN2CCCCC2)s1)c1ccccc1C(F)(F)F InChI=1S/C31H31F3N4O2S/c1-19(23-7-3-4-8-26(23)31(32,33)34)40-27-16-20(9-11-24(27)30(36)39)25-15-21(17-37-29(25)35)28-12-10-22(41-28)18-38-13-5-2-6-14-38/h3-4,7-12,15-17,19H,2,5-6,13-14,18H2,1H3,(H2,35,37)(H2,36,39) UDRXFTHAAGUSLS-UHFFFAOYSA-N 50385928 CHEMBL2042038 Serine/threonine-protein kinase Nek2 93 ChEMBL 10.1021/jm201683b 10.7270/Q2Q81F4F 22404346 Innocenti, P; Cheung, KM; Solanki, S; Mas-Droux, C; Rowan, F; Yeoh, S; Boxall, K; Westlake, M; Pickard, L; Hardy, T; Baxter, JE; Aherne, GW; Bayliss, R; Fry, AM; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385928&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 57387051 160865011 CHEMBL2042038 ZINC84655186 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50941298 CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1ccc(CN2CCOCC2)s1)c1ccccc1C(F)(F)F InChI=1S/C30H29F3N4O3S/c1-18(22-4-2-3-5-25(22)30(31,32)33)40-26-15-19(6-8-23(26)29(35)38)24-14-20(16-36-28(24)34)27-9-7-21(41-27)17-37-10-12-39-13-11-37/h2-9,14-16,18H,10-13,17H2,1H3,(H2,34,36)(H2,35,38) SITZGFMKDKYGPO-UHFFFAOYSA-N 50385929 CHEMBL2042039 Serine/threonine-protein kinase Nek2 318 ChEMBL 10.1021/jm201683b 10.7270/Q2Q81F4F 22404346 Innocenti, P; Cheung, KM; Solanki, S; Mas-Droux, C; Rowan, F; Yeoh, S; Boxall, K; Westlake, M; Pickard, L; Hardy, T; Baxter, JE; Aherne, GW; Bayliss, R; Fry, AM; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385929&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 57387052 160865012 CHEMBL2042039 ZINC84655190 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50941301 C[C@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)\C=C/C(F)(F)F InChI=1S/C24H25F3N4O2S/c1-14(6-7-24(25,26)27)33-20-10-16(4-5-18(20)23(29)32)19-9-17(11-30-22(19)28)21-8-15(13-34-21)12-31(2)3/h4-11,13-14H,12H2,1-3H3,(H2,28,30)(H2,29,32)/b7-6-/t14-/m0/s1 LLEOOSLUHRQCHZ-AFNCTOJWSA-N 50385914 CHEMBL2042042 Serine/threonine-protein kinase Nek2 1800 ChEMBL 10.1021/jm201683b 10.7270/Q2Q81F4F 22404346 Innocenti, P; Cheung, KM; Solanki, S; Mas-Droux, C; Rowan, F; Yeoh, S; Boxall, K; Westlake, M; Pickard, L; Hardy, T; Baxter, JE; Aherne, GW; Bayliss, R; Fry, AM; Hoelder, S The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385914&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 57387301 160864997 CHEMBL2042042 ZINC84711742 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51088171 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H REFJWTPEDVJJIY-UHFFFAOYSA-N 7460 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one::2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one::2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromone;hydrate::CHEMBL50::Quercetin::Quercetin (10)::Quercetin (21)::Quercetin (Qur)::US11021454, Compound Quercetin::US9180183, Quercetin::med.21724, Compound 4 Serine/threonine-protein kinase Nek2 5730 ChEMBL 10.1021/np4005745 10.7270/Q2X63PDV 24328302 El Amrani, M; Lai, D; Debbab, A; Aly, AH; Siems, K; Seidel, C; Schnekenburger, M; Gaigneaux, A; Diederich, M; Feger, D; Lin, W; Proksch, P Heinrich-Heine-Universit£t D£sseldorf http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=7460 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=7460&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search QUE 3BPT,2HCK,3LJ0,4LMU,5FLI,5FLJ,3CF8,4DFU,4MRA,4WNJ,2O3P,2MS6,5AUW,3BXX,6M89,3LM5,1GP6,6AWS,6QCN,6QCD,7VUM,6B1D,2N6C,1E8W,2C9Z,5XG4,5A4V,2UXH,1H1I,2JJ2,6TTA,6IJD,3NVY 5280343 11108251 16243 CHEMBL50 DB04216 5346 C00389 ZINC03869685 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51088172 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 HKSZLNNOFSGOKW-FYTWVXJKSA-N 2579 (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one::CHEMBL388978::Staurosporin, 4::Staurosporine::Staurosporine, 8::US9206188, Staurosporine::US9226923, Staurosporine Serine/threonine-protein kinase Nek2 4790 ChEMBL 10.1021/np4005745 10.7270/Q2X63PDV 24328302 El Amrani, M; Lai, D; Debbab, A; Aly, AH; Siems, K; Seidel, C; Schnekenburger, M; Gaigneaux, A; Diederich, M; Feger, D; Lin, W; Proksch, P Heinrich-Heine-Universit£t D£sseldorf http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=2579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=2579&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search STO 1AQ1,1BYG,1E8Z,1NVR,1NXK,1OKY,1Q3D,1QPD,1QPJ,1SM2,1SNU,1STC,1U59,1WVY,1XBC,1XJD,1YHS,2BUJ,2CLQ,2DQ7,2GCD,2HW7,2ITQ,2ITU,2ITW,2NRY,2OIC 44259 8032349 15738 CHEMBL388978 346 C02079 ZINC03814434 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51088173 Cc1c(O)c(O)c2oc(cc2c1C=O)-c1c(C)c(O)c(O)c(O)c1C=O InChI=1S/C18H14O8/c1-6-9(4-19)8-3-11(26-18(8)17(25)13(6)21)12-7(2)14(22)16(24)15(23)10(12)5-20/h3-5,21-25H,1-2H3 HTCVSLIHSFBUEL-UHFFFAOYSA-N 50445474 CHEMBL3104855 Serine/threonine-protein kinase Nek2 3780 ChEMBL 10.1021/np4005745 10.7270/Q2X63PDV 24328302 El Amrani, M; Lai, D; Debbab, A; Aly, AH; Siems, K; Seidel, C; Schnekenburger, M; Gaigneaux, A; Diederich, M; Feger, D; Lin, W; Proksch, P Heinrich-Heine-Universit£t D£sseldorf http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50445474&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 11210533 194943370 CHEMBL3104855 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51088174 Cc1c2COC(=O)c2c(O)c(O)c1O InChI=1S/C9H8O5/c1-3-4-2-14-9(13)5(4)7(11)8(12)6(3)10/h10-12H,2H2,1H3 IREYRQPUBOQACQ-UHFFFAOYSA-N 50445475 CHEMBL3104854 Serine/threonine-protein kinase Nek2 6550 ChEMBL 10.1021/np4005745 10.7270/Q2X63PDV 24328302 El Amrani, M; Lai, D; Debbab, A; Aly, AH; Siems, K; Seidel, C; Schnekenburger, M; Gaigneaux, A; Diederich, M; Feger, D; Lin, W; Proksch, P Heinrich-Heine-Universit£t D£sseldorf http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50445475&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 76328313 194943371 CHEMBL3104854 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51088175 COCc1c(C)c(O)c(O)c(O)c1C=O InChI=1S/C10H12O5/c1-5-7(4-15-2)6(3-11)9(13)10(14)8(5)12/h3,12-14H,4H2,1-2H3 WTFXMLVITCJWNE-UHFFFAOYSA-N 50445471 CHEMBL3104853 Serine/threonine-protein kinase Nek2 >30000 ChEMBL 10.1021/np4005745 10.7270/Q2X63PDV 24328302 El Amrani, M; Lai, D; Debbab, A; Aly, AH; Siems, K; Seidel, C; Schnekenburger, M; Gaigneaux, A; Diederich, M; Feger, D; Lin, W; Proksch, P Heinrich-Heine-Universit£t D£sseldorf http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445471 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50445471&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 76324771 194943367 CHEMBL3104853 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51088176 COC1OC(=O)c2c1c(C)c(O)c(O)c2O InChI=1S/C10H10O6/c1-3-4-5(7(12)8(13)6(3)11)9(14)16-10(4)15-2/h10-13H,1-2H3 PZBSSTRXBNWBNX-UHFFFAOYSA-N 50445472 CHEMBL3104852 Serine/threonine-protein kinase Nek2 11800 ChEMBL 10.1021/np4005745 10.7270/Q2X63PDV 24328302 El Amrani, M; Lai, D; Debbab, A; Aly, AH; Siems, K; Seidel, C; Schnekenburger, M; Gaigneaux, A; Diederich, M; Feger, D; Lin, W; Proksch, P Heinrich-Heine-Universit£t D£sseldorf http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50445472&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 76310169 194943368 CHEMBL3104852 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51088177 Cc1c(O)c(O)c2O[C@H]3O[C@H](C(=O)c4c(O)c(O)c(O)c(C)c34)c2c1C=O InChI=1S/C18H14O9/c1-4-6(3-19)8-16-13(23)9-7(5(2)11(21)14(24)12(9)22)18(26-16)27-17(8)15(25)10(4)20/h3,16,18,20-22,24-25H,1-2H3/t16-,18+/m0/s1 AHNFXMBOWJVAPB-FUHWJXTLSA-N 50445473 CHEMBL3104851 Serine/threonine-protein kinase Nek2 1830 ChEMBL 10.1021/np4005745 10.7270/Q2X63PDV 24328302 El Amrani, M; Lai, D; Debbab, A; Aly, AH; Siems, K; Seidel, C; Schnekenburger, M; Gaigneaux, A; Diederich, M; Feger, D; Lin, W; Proksch, P Heinrich-Heine-Universit£t D£sseldorf http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445473 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50445473&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 73891099 194943369 CHEMBL3104851 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51078781 CC(=O)Nc1cccc(c1)-c1cnc2[nH]nc(C)c2c1 InChI=1S/C15H14N4O/c1-9-14-7-12(8-16-15(14)19-18-9)11-4-3-5-13(6-11)17-10(2)20/h3-8H,1-2H3,(H,17,20)(H,16,18,19) YFBPGSDPFRCNOY-UHFFFAOYSA-N 50441090 CHEMBL2430323::US9669028, 114 N-(3-(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl)acetamide Serine/threonine-protein kinase Nek2 2000 ChEMBL 10.1016/j.bmcl.2013.08.046 10.7270/Q2Q52R2M 24007918 Huart, AS; Saxty, B; Merritt, A; Nekulova, M; Lewis, S; Huang, Y; Vojtesek, B; Kettleborough, C; Hupp, TR University of Edinburgh Cancer Research Centre in the Institute of Genetics and Molecular Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441090&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 66555775 175453407 CHEMBL2430323 ZINC96284793 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51090313 COC(=O)c1cc(O)c(O)c(C[C@]2(C)[C@@H](C)CC[C@]3(C)[C@H]2CCC=C3C)c1 InChI=1S/C23H32O4/c1-14-7-6-8-19-22(14,3)10-9-15(2)23(19,4)13-17-11-16(21(26)27-5)12-18(24)20(17)25/h7,11-12,15,19,24-25H,6,8-10,13H2,1-5H3/t15-,19+,22-,23+/m0/s1 VXQUGYOYJDITTO-KNSMUJDWSA-N 50446564 CHEMBL3109404 Serine/threonine-protein kinase Nek2 14700 ChEMBL 10.1021/np400633m 10.7270/Q24F1S7C 24479418 Daletos, G; de Voogd, NJ; Muller, WE; Wray, V; Lin, W; Feger, D; Kubbutat, M; Aly, AH; Proksch, P Heinrich Heine Universit£t http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446564 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50446564&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 10714343 194944460 CHEMBL3109404 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51090314 COc1cc2nc(C)oc2c(C[C@]2(C)[C@@H](C)CC[C@]3(C)[C@H]2CCC=C3C)c1O InChI=1S/C24H33NO3/c1-14-8-7-9-20-23(14,4)11-10-15(2)24(20,5)13-17-21(26)19(27-6)12-18-22(17)28-16(3)25-18/h8,12,15,20,26H,7,9-11,13H2,1-6H3/t15-,20+,23-,24+/m0/s1 ATQVAIUSAHRLDF-KSVBPBMVSA-N 50446565 CHEMBL3109402 Serine/threonine-protein kinase Nek2 >100000 ChEMBL 10.1021/np400633m 10.7270/Q24F1S7C 24479418 Daletos, G; de Voogd, NJ; Muller, WE; Wray, V; Lin, W; Feger, D; Kubbutat, M; Aly, AH; Proksch, P Heinrich Heine Universit£t http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446565 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50446565&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 76335685 194944461 CHEMBL3109402 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51090315 CC(C)CC=Nc1cc(O)c(O)c(C[C@]2(C)[C@@H](C)CC[C@]3(C)[C@H]2CCC=C3C)c1O InChI=1S/C26H39NO3/c1-16(2)11-13-27-20-14-21(28)24(30)19(23(20)29)15-26(6)18(4)10-12-25(5)17(3)8-7-9-22(25)26/h8,13-14,16,18,22,28-30H,7,9-12,15H2,1-6H3/t18-,22+,25-,26+/m0/s1 RBPGWOOSHFMNKR-NZZVAQPWSA-N 50446566 CHEMBL3109401 Serine/threonine-protein kinase Nek2 29900 ChEMBL 10.1021/np400633m 10.7270/Q24F1S7C 24479418 Daletos, G; de Voogd, NJ; Muller, WE; Wray, V; Lin, W; Feger, D; Kubbutat, M; Aly, AH; Proksch, P Heinrich Heine Universit£t http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50446566&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 91898676 194944462 CHEMBL3109401 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51090037 CN(C)C(=O)c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)-c2cnn(C)c2)c(Cl)c1 InChI=1S/C25H27ClN6O3/c1-25(2,3)35-24(34)32-20(17-13-28-31(6)14-17)10-16-12-27-22(11-21(16)32)29-19-8-7-15(9-18(19)26)23(33)30(4)5/h7-14H,1-6H3,(H,27,29) KYBALIQJYSWGLI-UHFFFAOYSA-N 50446431 CHEMBL3109933 Serine/threonine-protein kinase Nek2 >100000 ChEMBL 10.1021/jm401395s 10.7270/Q2JM2C4W 24256217 Naud, S; Westwood, IM; Faisal, A; Sheldrake, P; Bavetsias, V; Atrash, B; Cheung, KM; Liu, M; Hayes, A; Schmitt, J; Wood, A; Choi, V; Boxall, K; Mak, G; Gurden, M; Valenti, M; de Haven Brandon, A; Henley, A; Baker, R; McAndrew, C; Matijssen, B; Burke, R; Hoelder, S; Eccles, SA; Raynaud, FI; Linardopoulos, S; van Montfort, RL; Blagg, J The Institute of Cancer Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446431 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50446431&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 7RO 4C4H,4C4G,5AP5 68310278 194944327 CHEMBL3109933 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50978479 CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1 InChI=1S/C15H18N6O2S/c1-15(2,3)20-24(22,23)12-6-11(8-17-9-12)10-4-5-21-13(7-10)18-14(16)19-21/h4-9,20H,1-3H3,(H2,16,19) IVYWKCAOPCHVMX-UHFFFAOYSA-N 50401152 CHEMBL2205766 Serine/threonine-protein kinase Nek2 <10000 ChEMBL 10.1016/j.bmcl.2012.05.090 10.7270/Q2HQ412B 22726925 Sunose, M; Bell, K; Ellard, K; Bergamini, G; Neubauer, G; Werner, T; Ramsden, N Cellzome Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401152 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401152&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 44557921 163350176 CHEMBL2205766 ZINC95562659 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50980729 CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O InChI=1S/C23H22N6O2/c1-23(2,3)29-19-18(20(30)21(19)31)27-17-10-13-25-22(28-17)26-16-6-4-14(5-7-16)15-8-11-24-12-9-15/h4-13,29H,1-3H3,(H2,25,26,27,28) NDIUYMHNCUTVGE-UHFFFAOYSA-N 50402020 CHEMBL2205426 Serine/threonine-protein kinase Nek2 >9200 ChEMBL 10.1016/j.bmcl.2012.10.009 10.7270/Q2XK8GQ3 23103095 Zhang, Q; Xia, Z; Mitten, MJ; Lasko, LM; Klinghofer, V; Bouska, J; Johnson, EF; Penning, TD; Luo, Y; Giranda, VL; Shoemaker, AR; Stewart, KD; Djuric, SW; Vasudevan, A Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50402020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50402020&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 71455860 163351044 CHEMBL2205426 ZINC95563476 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51054190 Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O InChI=1S/C23H22FN3O4S/c1-14-18(5-7-20(22(14)24)32(2,29)30)23(28)27-9-10-31-19-6-3-15(11-17(19)13-27)16-4-8-21(25)26-12-16/h3-8,11-12H,9-10,13H2,1-2H3,(H2,25,26) LNFBAYSBVQBKFR-UHFFFAOYSA-N 50429867 CHEMBL2333365 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1021/jm3007933 10.7270/Q2ZC847X 23394126 Takeuchi, CS; Kim, BG; Blazey, CM; Ma, S; Johnson, HW; Anand, NK; Arcalas, A; Baik, TG; Buhr, CA; Cannoy, J; Epshteyn, S; Joshi, A; Lara, K; Lee, MS; Wang, L; Leahy, JW; Nuss, JM; Aay, N; Aoyama, R; Foster, P; Lee, J; Lehoux, I; Munagala, N; Plonowski, A; Rajan, S; Woolfrey, J; Yamaguchi, K; Lamb, P; Miller, N Exelixis Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50429867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50429867&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 59604787 164158742 CHEMBL2333365 ZINC95550928 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51043220 CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1-c1cc(C)no1 InChI=1S/C22H26Cl2N6O/c1-13-8-20(31-29-13)19-12-25-22(27-17-10-14(23)9-15(24)11-17)28-21(19)26-16-4-6-18(7-5-16)30(2)3/h8-12,16,18H,4-7H2,1-3H3,(H2,25,26,27,28) ZTSOUDMNSOYCTG-UHFFFAOYSA-N 50425862 CHEMBL2312654 Serine/threonine-protein kinase Nek2 2510 ChEMBL 10.1016/j.bmcl.2012.12.028 10.7270/Q2XW4M38 23312943 Powell, NA; Hoffman, JK; Ciske, FL; Kohrt, JT; Baxi, SM; Peng, YW; Zhong, M; Catana, C; Ohren, J; Perrin, LA; Edmunds, JJ Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50425862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50425862&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 71553154 164154737 CHEMBL2312654 ZINC95598090 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51043221 CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1 PIKLKDCPFVVYDK-QZTJIDSGSA-N 50425863 CHEMBL2312652 Serine/threonine-protein kinase Nek2 30000 ChEMBL 10.1016/j.bmcl.2012.12.028 10.7270/Q2XW4M38 23312943 Powell, NA; Hoffman, JK; Ciske, FL; Kohrt, JT; Baxi, SM; Peng, YW; Zhong, M; Catana, C; Ohren, J; Perrin, LA; Edmunds, JJ Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50425863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50425863&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 71553152 164154738 CHEMBL2312652 ZINC95598372 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51043222 CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NC1CCN(C)CC1 InChI=1S/C25H35Cl2N7O/c1-33(2)21-6-4-18(5-7-21)29-23-22(24(35)30-19-8-10-34(3)11-9-19)15-28-25(32-23)31-20-13-16(26)12-17(27)14-20/h12-15,18-19,21H,4-11H2,1-3H3,(H,30,35)(H2,28,29,31,32) SQKBBDOFPPNVCL-UHFFFAOYSA-N 50425864 CHEMBL2312649 Serine/threonine-protein kinase Nek2 30000 ChEMBL 10.1016/j.bmcl.2012.12.028 10.7270/Q2XW4M38 23312943 Powell, NA; Hoffman, JK; Ciske, FL; Kohrt, JT; Baxi, SM; Peng, YW; Zhong, M; Catana, C; Ohren, J; Perrin, LA; Edmunds, JJ Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50425864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50425864&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 71553085 164154739 CHEMBL2312649 ZINC95593559 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51001886 CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+ WVUNYSQLFKLYNI-AATRIKPKSA-N 31090 (E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-ethoxy-6-quinolyl]-4-(dimethylamino)but-2-enamide::(E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide::(E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide::(E)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-3-cyano-7-ethoxy-quinolin-6-yl]-4-(dimethylamino)but-2-enamide::EKB-569::Pelitinib::cid_6445562 Serine/threonine-protein kinase Nek2 140 ChEMBL 10.1038/nbt1068 10.7270/Q2V69J3T 15711537 Fabian, MA; Biggs, WH; Treiber, DK; Atteridge, CE; Azimioara, MD; Benedetti, MG; Carter, TA; Ciceri, P; Edeen, PT; Floyd, M; Ford, JM; Galvin, M; Gerlach, JL; Grotzfeld, RM; Herrgard, S; Insko, DE; Insko, MA; Lai, AG; Lelias, JM; Mehta, SA; Milanov, ZV; Velasco, AM; Wodicka, LM; Patel, HK; Zarrinkar, PP; Lockhart, DJ Ambit Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31090&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 93J 7AXM,5VCW 6445562 252615337 38927 ZINC00602803 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51064497 Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3-c3cccnc3)C(=O)c2o1)N1CCNCC1 InChI=1S/C34H29ClN4O2/c35-28-9-7-23(8-10-28)32-20-27-18-26-19-29(38-16-14-36-15-17-38)11-12-31(26)39(34(40)33(27)41-32)22-25-4-1-2-6-30(25)24-5-3-13-37-21-24/h1-13,19-21,36H,14-18,22H2 WCQPZKBEGJASRO-UHFFFAOYSA-N 50434485 CHEMBL2385543 Serine/threonine-protein kinase Nek2 13000 ChEMBL 10.1016/j.bmcl.2013.03.109 10.7270/Q2ZS2XX8 23602398 Xiao, D; Palani, A; Huang, X; Sofolarides, M; Zhou, W; Chen, X; Aslanian, R; Guo, Z; Fossetta, J; Tian, F; Trivedi, P; Spacciapoli, P; Whitehurst, CE; Lundell, D Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50434485 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50434485&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 53251320 175446802 CHEMBL2385543 ZINC72314983 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51062586 COc1ccc2CN(C(=O)c2c1)c1nc(cs1)C(=O)Nc1cnccc1N1CCNCC1 InChI=1S/C22H22N6O3S/c1-31-15-3-2-14-12-28(21(30)16(14)10-15)22-26-18(13-32-22)20(29)25-17-11-24-5-4-19(17)27-8-6-23-7-9-27/h2-5,10-11,13,23H,6-9,12H2,1H3,(H,25,29) KLJVDMAOKMSBQX-UHFFFAOYSA-N 50433476 CHEMBL2381116 Serine/threonine-protein kinase Nek2 9500 ChEMBL 10.1016/j.bmcl.2013.02.108 10.7270/Q2125V19 23535330 Huang, X; Cheng, CC; Fischmann, TO; Duca, JS; Richards, M; Tadikonda, PK; Reddy, PA; Zhao, L; Siddiqui, MA; Parry, D; Davis, N; Seghezzi, W; Wiswell, D; Shipps, GW Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50433476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50433476&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 1AM 4HYH 24951610 175445793 CHEMBL2381116 ZINC95921334 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50547278 CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 InChI=1S/C23H22N4O2/c1-23(2)17-13-24-22(25-14-7-4-3-5-8-14)26-20(17)27(21(23)29)18-12-11-16-15(18)9-6-10-19(16)28/h3-10,13,18,28H,11-12H2,1-2H3,(H,24,25,26)/t18-/m0/s1 XLFNLJYGUOLEJS-SFHVURJKSA-N 50208911 CHEMBL3884319 Serine/threonine-protein kinase Nek2 10000 ChEMBL 10.1016/j.bmcl.2016.08.068 10.7270/Q2N018JC 27816515 Katz, JD; Haidle, A; Childers, KK; Zabierek, AA; Jewell, JP; Hou, Y; Altman, MD; Szewczak, A; Chen, D; Harsch, A; Hayashi, M; Warren, L; Hutton, M; Nuthall, H; Su, HP; Munshi, S; Stanton, MG; Davies, IW; Munoz, B; Northrup, A Merck & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50208911 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50208911&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 69036886 375982220 CHEMBL3884319 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50727011 CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12 InChI=1S/C19H18F3N5O3/c1-18(2)11-4-3-10(7-13(11)25-14(28)8-30-18)24-17-26-12-5-6-29-15(12)16(27-17)23-9-19(20,21)22/h3-7H,8-9H2,1-2H3,(H,25,28)(H2,23,24,26,27) IGRYEDIMNMEBBU-UHFFFAOYSA-N 50235816 CHEMBL4069365 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1016/j.bmcl.2016.09.077 10.7270/Q2WQ061V 27789138 Hoemann, M; Wilson, N; Argiriadi, M; Banach, D; Burchat, A; Calderwood, D; Clapham, B; Cox, P; Duignan, DB; Konopacki, D; Somal, G; Vasudevan, A AbbVie Bioresearch Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50235816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50235816&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 137634241 384991558 CHEMBL4069365 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50727041 FC(F)(F)CNc1nc(Nc2ccc3cn[nH]c3c2)nc2ccoc12 InChI=1S/C15H11F3N6O/c16-15(17,18)7-19-13-12-10(3-4-25-12)22-14(23-13)21-9-2-1-8-6-20-24-11(8)5-9/h1-6H,7H2,(H,20,24)(H2,19,21,22,23) FMTZJHHPYOHWNQ-UHFFFAOYSA-N 50235820 CHEMBL4066664 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1016/j.bmcl.2016.09.077 10.7270/Q2WQ061V 27789138 Hoemann, M; Wilson, N; Argiriadi, M; Banach, D; Burchat, A; Calderwood, D; Clapham, B; Cox, P; Duignan, DB; Konopacki, D; Somal, G; Vasudevan, A AbbVie Bioresearch Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50235820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50235820&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 67129970 384991562 CHEMBL4066664 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50727267 FC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12 InChI=1S/C18H17ClF3N5O2/c19-12-9-11(1-2-14(12)27-4-7-28-8-5-27)24-17-25-13-3-6-29-15(13)16(26-17)23-10-18(20,21)22/h1-3,6,9H,4-5,7-8,10H2,(H2,23,24,25,26) WHFIWINTCCNYQZ-UHFFFAOYSA-N 50235817 CHEMBL4078893 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1016/j.bmcl.2016.09.077 10.7270/Q2WQ061V 27789138 Hoemann, M; Wilson, N; Argiriadi, M; Banach, D; Burchat, A; Calderwood, D; Clapham, B; Cox, P; Duignan, DB; Konopacki, D; Somal, G; Vasudevan, A AbbVie Bioresearch Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50235817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50235817&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 68755406 384991559 CHEMBL4078893 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50726740 CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1 InChI=1S/C18H19F3N6O/c1-2-8-23-16(28)11-3-5-12(6-4-11)25-17-26-14-13(7-9-22-14)15(27-17)24-10-18(19,20)21/h3-7,9H,2,8,10H2,1H3,(H,23,28)(H3,22,24,25,26,27) UJBJWYNPUOLFIZ-UHFFFAOYSA-N 50235830 CHEMBL2006765 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1016/j.bmcl.2016.09.077 10.7270/Q2WQ061V 27789138 Hoemann, M; Wilson, N; Argiriadi, M; Banach, D; Burchat, A; Calderwood, D; Clapham, B; Cox, P; Duignan, DB; Konopacki, D; Somal, G; Vasudevan, A AbbVie Bioresearch Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50235830 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50235830&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 16129448 384991572 CHEMBL2006765 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50726763 Cc1n[nH]c2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12 InChI=1S/C17H16N6O/c1-9-12-5-4-11(8-14(12)23-22-9)19-17-20-13-6-7-24-15(13)16(21-17)18-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,23)(H2,18,19,20,21) MDWXVGCLSBQVMP-UHFFFAOYSA-N 50235833 CHEMBL4062803 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1016/j.bmcl.2016.09.077 10.7270/Q2WQ061V 27789138 Hoemann, M; Wilson, N; Argiriadi, M; Banach, D; Burchat, A; Calderwood, D; Clapham, B; Cox, P; Duignan, DB; Konopacki, D; Somal, G; Vasudevan, A AbbVie Bioresearch Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50235833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50235833&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 77V 5T68 67130050 384991575 CHEMBL4062803 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50718972 CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2F)c1 InChI=1S/C28H27FN6O2/c1-33(2)11-12-34-17-22(15-32-34)19-9-10-35-25(16-31-27(35)14-19)20-7-8-23(28(30)36)26(13-20)37-18-21-5-3-4-6-24(21)29/h3-10,13-17H,11-12,18H2,1-2H3,(H2,30,36) AQIQDIPUFWRILR-UHFFFAOYSA-N 50235007 CHEMBL4087758 Serine/threonine-protein kinase Nek2 87 ChEMBL 10.1016/j.ejmech.2016.12.026 10.7270/Q2GT5QFN 28039836 Xi, JB; Fang, YF; Frett, B; Zhu, ML; Zhu, T; Kong, YN; Guan, FJ; Zhao, Y; Zhang, XW; Li, HY; Ma, ML; Hu, W East China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50235007 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50235007&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 137643418 384990922 CHEMBL4087758 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50718973 CC(Oc1cc(ccc1C(N)=O)-c1cnc2cc(ccn12)N1CCN(C)CC1)c1ccccc1C(F)(F)F InChI=1S/C28H28F3N5O2/c1-18(21-5-3-4-6-23(21)28(29,30)31)38-25-15-19(7-8-22(25)27(32)37)24-17-33-26-16-20(9-10-36(24)26)35-13-11-34(2)12-14-35/h3-10,15-18H,11-14H2,1-2H3,(H2,32,37) SFIOADYLFADECR-UHFFFAOYSA-N 50235006 CHEMBL4064022 Serine/threonine-protein kinase Nek2 2170 ChEMBL 10.1016/j.ejmech.2016.12.026 10.7270/Q2GT5QFN 28039836 Xi, JB; Fang, YF; Frett, B; Zhu, ML; Zhu, T; Kong, YN; Guan, FJ; Zhao, Y; Zhang, XW; Li, HY; Ma, ML; Hu, W East China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50235006 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50235006&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 137635344 384990921 CHEMBL4064022 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50718974 CNC(=O)c1ccc(cc1OC(C)c1ccccc1C(F)(F)F)-c1cnc2cc(ccn12)N1CCN(C)CC1 InChI=1S/C29H30F3N5O2/c1-19(22-6-4-5-7-24(22)29(30,31)32)39-26-16-20(8-9-23(26)28(38)33-2)25-18-34-27-17-21(10-11-37(25)27)36-14-12-35(3)13-15-36/h4-11,16-19H,12-15H2,1-3H3,(H,33,38) GLNCAFYPDPDEQA-UHFFFAOYSA-N 50235009 CHEMBL4061228 Serine/threonine-protein kinase Nek2 197000 ChEMBL 10.1016/j.ejmech.2016.12.026 10.7270/Q2GT5QFN 28039836 Xi, JB; Fang, YF; Frett, B; Zhu, ML; Zhu, T; Kong, YN; Guan, FJ; Zhao, Y; Zhang, XW; Li, HY; Ma, ML; Hu, W East China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50235009 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50235009&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 137637759 384990924 CHEMBL4061228 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50718976 CN1CCN(CC1)c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2)c1 InChI=1S/C26H27N5O2/c1-29-11-13-30(14-12-29)21-9-10-31-23(17-28-25(31)16-21)20-7-8-22(26(27)32)24(15-20)33-18-19-5-3-2-4-6-19/h2-10,15-17H,11-14,18H2,1H3,(H2,27,32) GKQAYGLKUNTBDR-UHFFFAOYSA-N 50235014 CHEMBL4060438 Serine/threonine-protein kinase Nek2 3210 ChEMBL 10.1016/j.ejmech.2016.12.026 10.7270/Q2GT5QFN 28039836 Xi, JB; Fang, YF; Frett, B; Zhu, ML; Zhu, T; Kong, YN; Guan, FJ; Zhao, Y; Zhang, XW; Li, HY; Ma, ML; Hu, W East China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50235014 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50235014&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 137637722 384990929 CHEMBL4060438 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50718977 NC(=O)c1ccc(cc1OCc1ccccc1C(F)(F)F)-c1cnc2cc(Cl)ccn12 InChI=1S/C22H15ClF3N3O2/c23-15-7-8-29-18(11-28-20(29)10-15)13-5-6-16(21(27)30)19(9-13)31-12-14-3-1-2-4-17(14)22(24,25)26/h1-11H,12H2,(H2,27,30) QKAOTODSEVHIHE-UHFFFAOYSA-N 50235008 CHEMBL4091915 Serine/threonine-protein kinase Nek2 >200000 ChEMBL 10.1016/j.ejmech.2016.12.026 10.7270/Q2GT5QFN 28039836 Xi, JB; Fang, YF; Frett, B; Zhu, ML; Zhu, T; Kong, YN; Guan, FJ; Zhao, Y; Zhang, XW; Li, HY; Ma, ML; Hu, W East China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50235008 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50235008&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 137654876 384990923 CHEMBL4091915 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50718978 OC(=O)C(F)(F)F.NC(=O)c1ccc(cc1OCc1ccccc1C(F)(F)F)-c1cnc2cc(OC3CCNCC3)ccn12 InChI=1S/C27H25F3N4O3/c28-27(29,30)22-4-2-1-3-18(22)16-36-24-13-17(5-6-21(24)26(31)35)23-15-33-25-14-20(9-12-34(23)25)37-19-7-10-32-11-8-19/h1-6,9,12-15,19,32H,7-8,10-11,16H2,(H2,31,35) YNGKSEBDWYFQCD-UHFFFAOYSA-N 50235013 CHEMBL4086508 Serine/threonine-protein kinase Nek2 10030 ChEMBL 10.1016/j.ejmech.2016.12.026 10.7270/Q2GT5QFN 28039836 Xi, JB; Fang, YF; Frett, B; Zhu, ML; Zhu, T; Kong, YN; Guan, FJ; Zhao, Y; Zhang, XW; Li, HY; Ma, ML; Hu, W East China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50235013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50235013&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 137641994 384990928 CHEMBL4086508 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50718981 C[C@H](Oc1cc(ccc1C(N)=O)-c1cnc2cc(OC3CCN(C)CC3)ccn12)c1ccccc1C(F)(F)F InChI=1S/C29H29F3N4O3/c1-18(22-5-3-4-6-24(22)29(30,31)32)38-26-15-19(7-8-23(26)28(33)37)25-17-34-27-16-21(11-14-36(25)27)39-20-9-12-35(2)13-10-20/h3-8,11,14-18,20H,9-10,12-13H2,1-2H3,(H2,33,37)/t18-/m0/s1 OZQBPQVARIELDX-SFHVURJKSA-N 50235001 CHEMBL4094275 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1016/j.ejmech.2016.12.026 10.7270/Q2GT5QFN 28039836 Xi, JB; Fang, YF; Frett, B; Zhu, ML; Zhu, T; Kong, YN; Guan, FJ; Zhao, Y; Zhang, XW; Li, HY; Ma, ML; Hu, W East China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50235001 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50235001&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 137653063 384990916 CHEMBL4094275 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50718982 CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(c2)C(F)(F)F)c1 InChI=1S/C29H27F3N6O2/c1-36(2)10-11-37-17-22(15-35-37)20-8-9-38-25(16-34-27(38)14-20)21-6-7-24(28(33)39)26(13-21)40-18-19-4-3-5-23(12-19)29(30,31)32/h3-9,12-17H,10-11,18H2,1-2H3,(H2,33,39) NQRIOYUQXAMKEV-UHFFFAOYSA-N 50235015 CHEMBL4091089 Serine/threonine-protein kinase Nek2 7 ChEMBL 10.1016/j.ejmech.2016.12.026 10.7270/Q2GT5QFN 28039836 Xi, JB; Fang, YF; Frett, B; Zhu, ML; Zhu, T; Kong, YN; Guan, FJ; Zhao, Y; Zhang, XW; Li, HY; Ma, ML; Hu, W East China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50235015 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50235015&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 137644537 384990930 CHEMBL4091089 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50718983 CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2C(F)(F)F)c1 InChI=1S/C29H27F3N6O2/c1-36(2)11-12-37-17-22(15-35-37)19-9-10-38-25(16-34-27(38)14-19)20-7-8-23(28(33)39)26(13-20)40-18-21-5-3-4-6-24(21)29(30,31)32/h3-10,13-17H,11-12,18H2,1-2H3,(H2,33,39) NKEITNKVMPMCJL-UHFFFAOYSA-N 50235003 CHEMBL4101298 Serine/threonine-protein kinase Nek2 478 ChEMBL 10.1016/j.ejmech.2016.12.026 10.7270/Q2GT5QFN 28039836 Xi, JB; Fang, YF; Frett, B; Zhu, ML; Zhu, T; Kong, YN; Guan, FJ; Zhao, Y; Zhang, XW; Li, HY; Ma, ML; Hu, W East China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50235003 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50235003&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 137659379 384990918 CHEMBL4101298 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50719050 C[C@@H](Oc1cc(ccc1C(N)=O)-c1cnc2cc(OC3CCN(CC3)C(=O)OC(C)(C)C)ccn12)c1ccccc1C(F)(F)F InChI=1S/C33H35F3N4O5/c1-20(24-7-5-6-8-26(24)33(34,35)36)43-28-17-21(9-10-25(28)30(37)41)27-19-38-29-18-23(13-16-40(27)29)44-22-11-14-39(15-12-22)31(42)45-32(2,3)4/h5-10,13,16-20,22H,11-12,14-15H2,1-4H3,(H2,37,41)/t20-/m1/s1 PSINLBJQJPMJGR-HXUWFJFHSA-N 50235002 CHEMBL4073648 Serine/threonine-protein kinase Nek2 11190 ChEMBL 10.1016/j.ejmech.2016.12.026 10.7270/Q2GT5QFN 28039836 Xi, JB; Fang, YF; Frett, B; Zhu, ML; Zhu, T; Kong, YN; Guan, FJ; Zhao, Y; Zhang, XW; Li, HY; Ma, ML; Hu, W East China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50235002 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50235002&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 137640438 384990917 CHEMBL4073648 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50719051 CN1CCN(CC1)c1ccn2c(cnc2c1)-c1ccc(C(=O)NO)c(OCc2ccccc2C(F)(F)F)c1 InChI=1S/C27H26F3N5O3/c1-33-10-12-34(13-11-33)20-8-9-35-23(16-31-25(35)15-20)18-6-7-21(26(36)32-37)24(14-18)38-17-19-4-2-3-5-22(19)27(28,29)30/h2-9,14-16,37H,10-13,17H2,1H3,(H,32,36) ISMNINMRVQJRQN-UHFFFAOYSA-N 50235004 CHEMBL4071842 Serine/threonine-protein kinase Nek2 10000 ChEMBL 10.1016/j.ejmech.2016.12.026 10.7270/Q2GT5QFN 28039836 Xi, JB; Fang, YF; Frett, B; Zhu, ML; Zhu, T; Kong, YN; Guan, FJ; Zhao, Y; Zhang, XW; Li, HY; Ma, ML; Hu, W East China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50235004 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50235004&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 137638267 384990919 CHEMBL4071842 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50719052 CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2)c1 InChI=1S/C28H28N6O2/c1-32(2)12-13-33-18-23(16-31-33)21-10-11-34-25(17-30-27(34)15-21)22-8-9-24(28(29)35)26(14-22)36-19-20-6-4-3-5-7-20/h3-11,14-18H,12-13,19H2,1-2H3,(H2,29,35) RENORGCYKWQFMO-UHFFFAOYSA-N 50234994 CHEMBL4063211 Serine/threonine-protein kinase Nek2 3 ChEMBL 10.1016/j.ejmech.2016.12.026 10.7270/Q2GT5QFN 28039836 Xi, JB; Fang, YF; Frett, B; Zhu, ML; Zhu, T; Kong, YN; Guan, FJ; Zhao, Y; Zhang, XW; Li, HY; Ma, ML; Hu, W East China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234994 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234994&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 137637358 384990909 CHEMBL4063211 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50719055 CN1CCN(CC1)c1ccn2c(cnc2c1)-c1ccc(C(O)=O)c(OCc2ccccc2C(F)(F)F)c1 InChI=1S/C27H25F3N4O3/c1-32-10-12-33(13-11-32)20-8-9-34-23(16-31-25(34)15-20)18-6-7-21(26(35)36)24(14-18)37-17-19-4-2-3-5-22(19)27(28,29)30/h2-9,14-16H,10-13,17H2,1H3,(H,35,36) YEUNJNZHCPBPNN-UHFFFAOYSA-N 50234996 CHEMBL4083100 Serine/threonine-protein kinase Nek2 10030 ChEMBL 10.1016/j.ejmech.2016.12.026 10.7270/Q2GT5QFN 28039836 Xi, JB; Fang, YF; Frett, B; Zhu, ML; Zhu, T; Kong, YN; Guan, FJ; Zhao, Y; Zhang, XW; Li, HY; Ma, ML; Hu, W East China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234996 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234996&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 137647467 384990911 CHEMBL4083100 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50719057 C[C@@H](Oc1cc(ccc1C(N)=O)-c1cnc2cc(ccn12)-c1cnn(CCN(C)C)c1)c1ccccc1C(F)(F)F InChI=1S/C30H29F3N6O2/c1-19(23-6-4-5-7-25(23)30(31,32)33)41-27-14-21(8-9-24(27)29(34)40)26-17-35-28-15-20(10-11-39(26)28)22-16-36-38(18-22)13-12-37(2)3/h4-11,14-19H,12-13H2,1-3H3,(H2,34,40)/t19-/m1/s1 PCASZLNWYDTNME-LJQANCHMSA-N 50234997 CHEMBL4083300 Serine/threonine-protein kinase Nek2 927 ChEMBL 10.1016/j.ejmech.2016.12.026 10.7270/Q2GT5QFN 28039836 Xi, JB; Fang, YF; Frett, B; Zhu, ML; Zhu, T; Kong, YN; Guan, FJ; Zhao, Y; Zhang, XW; Li, HY; Ma, ML; Hu, W East China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234997 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234997&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 137648637 384990912 CHEMBL4083300 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50719058 CN1CCC(CC1)Oc1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2)c1 InChI=1S/C27H28N4O3/c1-30-12-9-21(10-13-30)34-22-11-14-31-24(17-29-26(31)16-22)20-7-8-23(27(28)32)25(15-20)33-18-19-5-3-2-4-6-19/h2-8,11,14-17,21H,9-10,12-13,18H2,1H3,(H2,28,32) SVRYNEXYUGAOHM-UHFFFAOYSA-N 50234998 CHEMBL4065063 Serine/threonine-protein kinase Nek2 808 ChEMBL 10.1016/j.ejmech.2016.12.026 10.7270/Q2GT5QFN 28039836 Xi, JB; Fang, YF; Frett, B; Zhu, ML; Zhu, T; Kong, YN; Guan, FJ; Zhao, Y; Zhang, XW; Li, HY; Ma, ML; Hu, W East China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234998 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234998&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 137634280 384990913 CHEMBL4065063 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50719060 CC(Oc1cc(ccc1C(N)=O)-c1cnc2cc(OC3CCN(C)CC3)ccn12)c1ccccc1C(F)(F)F InChI=1S/C29H29F3N4O3/c1-18(22-5-3-4-6-24(22)29(30,31)32)38-26-15-19(7-8-23(26)28(33)37)25-17-34-27-16-21(11-14-36(25)27)39-20-9-12-35(2)13-10-20/h3-8,11,14-18,20H,9-10,12-13H2,1-2H3,(H2,33,37) OZQBPQVARIELDX-UHFFFAOYSA-N 50234999 CHEMBL4084616 Serine/threonine-protein kinase Nek2 1600 ChEMBL 10.1016/j.ejmech.2016.12.026 10.7270/Q2GT5QFN 28039836 Xi, JB; Fang, YF; Frett, B; Zhu, ML; Zhu, T; Kong, YN; Guan, FJ; Zhao, Y; Zhang, XW; Li, HY; Ma, ML; Hu, W East China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234999&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 137647984 384990914 CHEMBL4084616 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50719063 COC(=O)c1ccc(cc1OC(C)c1ccccc1C(F)(F)F)-c1cnc2cc(ccn12)N1CCN(C)CC1 InChI=1S/C29H29F3N4O3/c1-19(22-6-4-5-7-24(22)29(30,31)32)39-26-16-20(8-9-23(26)28(37)38-3)25-18-33-27-17-21(10-11-36(25)27)35-14-12-34(2)13-15-35/h4-11,16-19H,12-15H2,1-3H3 JJNJUWHZMBYWRY-UHFFFAOYSA-N 50235000 CHEMBL4091785 Serine/threonine-protein kinase Nek2 42600 ChEMBL 10.1016/j.ejmech.2016.12.026 10.7270/Q2GT5QFN 28039836 Xi, JB; Fang, YF; Frett, B; Zhu, ML; Zhu, T; Kong, YN; Guan, FJ; Zhao, Y; Zhang, XW; Li, HY; Ma, ML; Hu, W East China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50235000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50235000&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 137652960 384990915 CHEMBL4091785 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50719064 COc1cc(ccc1C(N)=O)-c1cnc2cc(ccn12)N1CCN(C)CC1 InChI=1S/C20H23N5O2/c1-23-7-9-24(10-8-23)15-5-6-25-17(13-22-19(25)12-15)14-3-4-16(20(21)26)18(11-14)27-2/h3-6,11-13H,7-10H2,1-2H3,(H2,21,26) UPWKPELFVSBELI-UHFFFAOYSA-N 50235016 CHEMBL4102006 Serine/threonine-protein kinase Nek2 19280 ChEMBL 10.1016/j.ejmech.2016.12.026 10.7270/Q2GT5QFN 28039836 Xi, JB; Fang, YF; Frett, B; Zhu, ML; Zhu, T; Kong, YN; Guan, FJ; Zhao, Y; Zhang, XW; Li, HY; Ma, ML; Hu, W East China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50235016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50235016&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 137661538 384990931 CHEMBL4102006 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50719066 CN1CCN(CC1)c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2C(F)(F)F)c1 InChI=1S/C27H26F3N5O2/c1-33-10-12-34(13-11-33)20-8-9-35-23(16-32-25(35)15-20)18-6-7-21(26(31)36)24(14-18)37-17-19-4-2-3-5-22(19)27(28,29)30/h2-9,14-16H,10-13,17H2,1H3,(H2,31,36) IIWSPLVNLHLZJX-UHFFFAOYSA-N 50235011 CHEMBL4076233 Serine/threonine-protein kinase Nek2 2400 ChEMBL 10.1016/j.ejmech.2016.12.026 10.7270/Q2GT5QFN 28039836 Xi, JB; Fang, YF; Frett, B; Zhu, ML; Zhu, T; Kong, YN; Guan, FJ; Zhao, Y; Zhang, XW; Li, HY; Ma, ML; Hu, W East China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50235011 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50235011&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 137649497 384990926 CHEMBL4076233 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50719067 CC(C)(C)OC(=O)N1CCC(CC1)Oc1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2C(F)(F)F)c1 InChI=1S/C32H33F3N4O5/c1-31(2,3)44-30(41)38-13-10-22(11-14-38)43-23-12-15-39-26(18-37-28(39)17-23)20-8-9-24(29(36)40)27(16-20)42-19-21-6-4-5-7-25(21)32(33,34)35/h4-9,12,15-18,22H,10-11,13-14,19H2,1-3H3,(H2,36,40) MZAFMVBPADGUMH-UHFFFAOYSA-N 50235012 CHEMBL4076354 Serine/threonine-protein kinase Nek2 1037 ChEMBL 10.1016/j.ejmech.2016.12.026 10.7270/Q2GT5QFN 28039836 Xi, JB; Fang, YF; Frett, B; Zhu, ML; Zhu, T; Kong, YN; Guan, FJ; Zhao, Y; Zhang, XW; Li, HY; Ma, ML; Hu, W East China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50235012 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50235012&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 137651645 384990927 CHEMBL4076354 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50719068 CN1CCN(CC1)c1ccn2c(cnc2c1)-c1ccc(C(=O)NCCN)c(OCc2ccccc2C(F)(F)F)c1 InChI=1S/C29H31F3N6O2/c1-36-12-14-37(15-13-36)22-8-11-38-25(18-35-27(38)17-22)20-6-7-23(28(39)34-10-9-33)26(16-20)40-19-21-4-2-3-5-24(21)29(30,31)32/h2-8,11,16-18H,9-10,12-15,19,33H2,1H3,(H,34,39) APFRWBXXXOVAJJ-UHFFFAOYSA-N 50234991 CHEMBL4098835 Serine/threonine-protein kinase Nek2 1300 ChEMBL 10.1016/j.ejmech.2016.12.026 10.7270/Q2GT5QFN 28039836 Xi, JB; Fang, YF; Frett, B; Zhu, ML; Zhu, T; Kong, YN; Guan, FJ; Zhao, Y; Zhang, XW; Li, HY; Ma, ML; Hu, W East China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234991 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234991&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 137658783 384990907 CHEMBL4098835 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50719069 CN1CCC(CC1)Oc1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2C(F)(F)F)c1 InChI=1S/C28H27F3N4O3/c1-34-11-8-20(9-12-34)38-21-10-13-35-24(16-33-26(35)15-21)18-6-7-22(27(32)36)25(14-18)37-17-19-4-2-3-5-23(19)28(29,30)31/h2-7,10,13-16,20H,8-9,11-12,17H2,1H3,(H2,32,36) MQNGNHSUPMHATR-UHFFFAOYSA-N 50234992 CHEMBL4102393 Serine/threonine-protein kinase Nek2 838 ChEMBL 10.1016/j.ejmech.2016.12.026 10.7270/Q2GT5QFN 28039836 Xi, JB; Fang, YF; Frett, B; Zhu, ML; Zhu, T; Kong, YN; Guan, FJ; Zhao, Y; Zhang, XW; Li, HY; Ma, ML; Hu, W East China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234992 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234992&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 137659636 384990908 CHEMBL4102393 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50719071 CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1 InChI=1S/C28H27FN6O2/c1-33(2)10-11-34-17-22(15-32-34)20-8-9-35-25(16-31-27(35)14-20)21-6-7-24(28(30)36)26(13-21)37-18-19-4-3-5-23(29)12-19/h3-9,12-17H,10-11,18H2,1-2H3,(H2,30,36) CGECJCJUHCZZGO-UHFFFAOYSA-N 50234990 CHEMBL4062453 Serine/threonine-protein kinase Nek2 1 ChEMBL 10.1016/j.ejmech.2016.12.026 10.7270/Q2GT5QFN 28039836 Xi, JB; Fang, YF; Frett, B; Zhu, ML; Zhu, T; Kong, YN; Guan, FJ; Zhao, Y; Zhang, XW; Li, HY; Ma, ML; Hu, W East China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234990 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234990&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 137636872 384990906 CHEMBL4062453 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50719074 C[C@@H](Oc1cc(ccc1C(N)=O)-c1cnc2cc(OC3CCN(C)CC3)ccn12)c1ccccc1C(F)(F)F InChI=1S/C29H29F3N4O3/c1-18(22-5-3-4-6-24(22)29(30,31)32)38-26-15-19(7-8-23(26)28(33)37)25-17-34-27-16-21(11-14-36(25)27)39-20-9-12-35(2)13-10-20/h3-8,11,14-18,20H,9-10,12-13H2,1-2H3,(H2,33,37)/t18-/m1/s1 OZQBPQVARIELDX-GOSISDBHSA-N 50235010 CHEMBL4062949 Serine/threonine-protein kinase Nek2 591 ChEMBL 10.1016/j.ejmech.2016.12.026 10.7270/Q2GT5QFN 28039836 Xi, JB; Fang, YF; Frett, B; Zhu, ML; Zhu, T; Kong, YN; Guan, FJ; Zhao, Y; Zhang, XW; Li, HY; Ma, ML; Hu, W East China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50235010 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50235010&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 137636215 384990925 CHEMBL4062949 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50719123 CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccc(cc2)C(F)(F)F)c1 InChI=1S/C29H27F3N6O2/c1-36(2)11-12-37-17-22(15-35-37)20-9-10-38-25(16-34-27(38)14-20)21-5-8-24(28(33)39)26(13-21)40-18-19-3-6-23(7-4-19)29(30,31)32/h3-10,13-17H,11-12,18H2,1-2H3,(H2,33,39) OOSGLLFJSREBMF-UHFFFAOYSA-N 50234995 CHEMBL4105643 Serine/threonine-protein kinase Nek2 386 ChEMBL 10.1016/j.ejmech.2016.12.026 10.7270/Q2GT5QFN 28039836 Xi, JB; Fang, YF; Frett, B; Zhu, ML; Zhu, T; Kong, YN; Guan, FJ; Zhao, Y; Zhang, XW; Li, HY; Ma, ML; Hu, W East China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234995 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234995&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 137656550 384990910 CHEMBL4105643 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50719125 C[C@@H](Oc1cc(ccc1C(N)=O)-c1cnc2cc(ccn12)N1CCN(C)CC1)c1ccccc1C(F)(F)F InChI=1S/C28H28F3N5O2/c1-18(21-5-3-4-6-23(21)28(29,30)31)38-25-15-19(7-8-22(25)27(32)37)24-17-33-26-16-20(9-10-36(24)26)35-13-11-34(2)12-14-35/h3-10,15-18H,11-14H2,1-2H3,(H2,32,37)/t18-/m1/s1 SFIOADYLFADECR-GOSISDBHSA-N 50235005 CHEMBL4082341 Serine/threonine-protein kinase Nek2 1190 ChEMBL 10.1016/j.ejmech.2016.12.026 10.7270/Q2GT5QFN 28039836 Xi, JB; Fang, YF; Frett, B; Zhu, ML; Zhu, T; Kong, YN; Guan, FJ; Zhao, Y; Zhang, XW; Li, HY; Ma, ML; Hu, W East China Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50235005 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50235005&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 137648843 384990920 CHEMBL4082341 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50893725 Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1 OSAWFUCUZJNEID-CQSZACIVSA-N 50269615 CHEMBL4095253 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1016/j.bmcl.2017.07.009 10.7270/Q2WW7M50 28734581 He, L; Li, D; Zhang, C; Bai, P; Chen, L Sichuan University and Collaborative Innovation Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269615 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269615&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 137652864 404961580 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51123920 CCN(CCO)Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 InChI=1S/C18H22N8OS/c1-3-25(4-5-27)11-14-6-16(28-24-14)23-17-18-19-9-15(13-7-20-21-8-13)26(18)10-12(2)22-17/h6-10,27H,3-5,11H2,1-2H3,(H,20,21)(H,22,23) RHAMYMXUVZEEJR-UHFFFAOYSA-N 50460767 CHEMBL4228240 Serine/threonine-protein kinase Nek2 >500 ChEMBL 10.1016/j.bmcl.2018.02.037 10.7270/Q2K35X91 29545102 Yu, T; Zhang, Y; Kerekes, AD; Tagat, JR; Doll, RJ; Xiao, Y; Esposite, S; Hruza, A; Belanger, DB; Voss, M; Rainka, MP; Basso, A; Liu, M; Liang, L; Sui, N; Prelusky, D; Rindgen, D; Zhang, L Merck & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50460767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50460767&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 145967951 433928032 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51123937 Cc1cn2c(cnc2c(Nc2cc(Cc3ccccn3)ns2)n1)-c1cn[nH]c1 InChI=1S/C19H16N8S/c1-12-11-27-16(13-8-22-23-9-13)10-21-19(27)18(24-12)25-17-7-15(26-28-17)6-14-4-2-3-5-20-14/h2-5,7-11H,6H2,1H3,(H,22,23)(H,24,25) NNQHKTWARZSGTQ-UHFFFAOYSA-N 50460773 CHEMBL4227082 Serine/threonine-protein kinase Nek2 >500 ChEMBL 10.1016/j.bmcl.2018.02.037 10.7270/Q2K35X91 29545102 Yu, T; Zhang, Y; Kerekes, AD; Tagat, JR; Doll, RJ; Xiao, Y; Esposite, S; Hruza, A; Belanger, DB; Voss, M; Rainka, MP; Basso, A; Liu, M; Liang, L; Sui, N; Prelusky, D; Rindgen, D; Zhang, L Merck & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50460773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50460773&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 25145716 433928038 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51136590 CCn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc12 InChI=1S/C25H22F3N5O2/c1-2-32-13-19(22-23(29)30-14-31-24(22)32)16-6-7-20-17(12-16)8-9-33(20)21(34)11-15-4-3-5-18(10-15)35-25(26,27)28/h3-7,10,12-14H,2,8-9,11H2,1H3,(H2,29,30,31) APPXQUDJLJXULP-UHFFFAOYSA-N 50466038 CHEMBL4281823 Serine/threonine-protein kinase Nek2 268 ChEMBL 10.1021/acs.jmedchem.8b01652 10.7270/Q2377CDJ 30480444 Li, Y; Xiong, Y; Zhang, G; Zhang, L; Yang, W; Yang, J; Huang, L; Qiao, Z; Miao, Z; Lin, G; Sun, Q; Niu, T; Chen, L; Niu, D; Li, L; Yang, S Sichuan University/Collaborative Innovation Center of Biotherapy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50466038 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50466038&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 137321158 433933303 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51130156 CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1 InChI=1S/C26H30N6O2S/c1-31-10-12-32(13-11-31)9-4-14-34-20-6-2-5-19(15-20)16-24(33)30-26-29-23(18-35-26)22-17-28-25-21(22)7-3-8-27-25/h2-3,5-8,15,17-18H,4,9-14,16H2,1H3,(H,27,28)(H,29,30,33) KWQRIWDMNAKJAF-UHFFFAOYSA-N 50463484 CHEMBL4248525 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1016/j.bmcl.2018.06.040 10.7270/Q2ZC85HX 30082069 Bandarage, UK; Cao, J; Come, JH; Court, JJ; Gao, H; Jacobs, MD; Marhefka, C; Nanthakumar, S; Green, J Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50463484 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50463484&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 6U2 5KKT 11705863 433930749 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51130180 CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1 InChI=1S/C19H17N5O3S2/c1-29(26,27)24-13-5-2-4-12(8-13)9-17(25)23-19-22-16(11-28-19)15-10-21-18-14(15)6-3-7-20-18/h2-8,10-11,24H,9H2,1H3,(H,20,21)(H,22,23,25) HIUHVDROHDSKTC-UHFFFAOYSA-N 50463479 CHEMBL4249925 Serine/threonine-protein kinase Nek2 >2000 ChEMBL 10.1016/j.bmcl.2018.06.040 10.7270/Q2ZC85HX 30082069 Bandarage, UK; Cao, J; Come, JH; Court, JJ; Gao, H; Jacobs, MD; Marhefka, C; Nanthakumar, S; Green, J Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50463479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50463479&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 6U1 5KKS 11690457 433930744 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51130181 O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12 InChI=1S/C26H29N5O2S/c32-24(31-26-30-23(17-34-26)22-16-29-25-21(22)7-2-10-28-25)15-19-4-1-6-20(14-19)33-13-3-5-18-8-11-27-12-9-18/h1-2,4,6-7,10,14,16-18,27H,3,5,8-9,11-13,15H2,(H,28,29)(H,30,31,32) OKUPZBPYLVKVSU-UHFFFAOYSA-N 50463483 CHEMBL4245242 Serine/threonine-protein kinase Nek2 >2000 ChEMBL 10.1016/j.bmcl.2018.06.040 10.7270/Q2ZC85HX 30082069 Bandarage, UK; Cao, J; Come, JH; Court, JJ; Gao, H; Jacobs, MD; Marhefka, C; Nanthakumar, S; Green, J Vertex Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50463483 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50463483&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 504 5UZK 11561968 433930748 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51128285 O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1 InChI=1S/C23H27N5O2S/c29-22(27-23-26-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-14-2-11-28-12-9-25-10-13-28/h1,3-8,15,17,25H,2,9-14,16H2,(H,26,27,29) XLMFBNMLEHYJGT-UHFFFAOYSA-N 50462709 CHEMBL4245507 Serine/threonine-protein kinase Nek2 >1000 ChEMBL 10.1016/j.bmcl.2018.06.043 10.7270/Q2XP77MH 29945794 Gao, H; Marhefka, C; Jacobs, MD; Cao, J; Bandarage, UK; Green, J Vertex Pharmaceuticals, Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50462709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50462709&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 60097495 433929974 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51215885 OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1 InChI=1S/C18H17Cl2NO3/c19-16-6-3-13(7-17(16)20)11-24-15-4-1-12(2-5-15)8-21-9-14(10-21)18(22)23/h1-7,14H,8-11H2,(H,22,23) WAAWETUDFSIYSD-UHFFFAOYSA-N 50499634 CHEMBL3741589 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1021/acs.jmedchem.5b00928 10.7270/Q2PZ5CV4 26509640 Hobson, AD; Harris, CM; van der Kam, EL; Turner, SC; Abibi, A; Aguirre, AL; Bousquet, P; Kebede, T; Konopacki, DB; Gintant, G; Kim, Y; Larson, K; Maull, JW; Moore, NS; Shi, D; Shrestha, A; Tang, X; Zhang, P; Sarris, KK AbbVie Bioresearch Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50499634 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50499634&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 46872626 433911535 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51240727 CN1CCC(CC1)Nc1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1cc(cs1)C#N InChI=1S/C21H22N6OS/c1-27-8-6-17(7-9-27)23-16-4-2-15(3-5-16)21(28)24-20-11-18(25-26-20)19-10-14(12-22)13-29-19/h2-5,10-11,13,17,23H,6-9H2,1H3,(H2,24,25,26,28) HGLWPJISHDLCTE-UHFFFAOYSA-N 50507645 CHEMBL4473820 Serine/threonine-protein kinase Nek2 2094 ChEMBL 10.1016/j.ejmech.2018.11.063 10.7270/Q2S185R2 30508668 Heng, H; Zhi, Y; Yuan, H; Wang, Z; Li, H; Wang, S; Tian, J; Liu, H; Chen, Y; Lu, T; Ran, T; Lu, S China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50507645 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50507645&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 155536820 440716230 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51240748 CN1CCC(CC1)Nc1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1cc(cs1)C#N InChI=1S/C21H22N6OS/c1-27-8-6-17(7-9-27)23-16-4-2-15(3-5-16)21(28)24-20-11-18(25-26-20)19-10-14(12-22)13-29-19/h2-5,10-11,13,17,23H,6-9H2,1H3,(H2,24,25,26,28) HGLWPJISHDLCTE-UHFFFAOYSA-N 50507645 CHEMBL4473820 Serine/threonine-protein kinase Nek2 1995 ChEMBL 10.1016/j.ejmech.2018.11.063 10.7270/Q2S185R2 30508668 Heng, H; Zhi, Y; Yuan, H; Wang, Z; Li, H; Wang, S; Tian, J; Liu, H; Chen, Y; Lu, T; Ran, T; Lu, S China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50507645 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50507645&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 155536820 440716230 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51238485 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 HKSZLNNOFSGOKW-FYTWVXJKSA-N 2579 (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one::CHEMBL388978::Staurosporin, 4::Staurosporine::Staurosporine, 8::US9206188, Staurosporine::US9226923, Staurosporine Serine/threonine-protein kinase Nek2 345 ChEMBL 10.1016/j.ejmech.2018.10.052 10.7270/Q2W380MT 30384048 Narayan, S; Ramisetti, S; Jaiswal, AS; Law, BK; Singh-Pillay, A; Singh, P; Amin, S; Sharma, AK University of Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=2579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=2579&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search STO 1AQ1,1BYG,1E8Z,1NVR,1NXK,1OKY,1Q3D,1QPD,1QPJ,1SM2,1SNU,1STC,1U59,1WVY,1XBC,1XJD,1YHS,2BUJ,2CLQ,2DQ7,2GCD,2HW7,2ITQ,2ITU,2ITW,2NRY,2OIC 44259 8032349 15738 CHEMBL388978 346 C02079 ZINC03814434 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51272853 CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1 InChI=1S/C26H23N3O5/c1-29(2)20-8-6-17(7-9-20)26(32)28-19-5-3-4-18(14-19)27-25(31)16-34-21-10-11-22-23(30)12-13-33-24(22)15-21/h3-15H,16H2,1-2H3,(H,27,31)(H,28,32) WVGDUQVQWLHVEA-UHFFFAOYSA-N 50519662 CHEMBL4438748 Serine/threonine-protein kinase Nek2 >10000 ChEMBL 10.1021/acs.jmedchem.9b01143 10.7270/Q2MC93FG 31693351 Zhao, L; Li, Y; Wang, Y; Qiao, Z; Miao, Z; Yang, J; Huang, L; Tian, C; Li, L; Chen, D; Yang, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50519662 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50519662&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 155513187 440728244 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51326387 Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F InChI=1S/C18H18ClF2N5OS/c1-9-11(12-7-24-26-8-10(19)6-23-16(12)26)5-14(28-9)17(27)25-15-13(22)3-2-4-18(15,20)21/h5-8,13,15H,2-4,22H2,1H3,(H,25,27)/t13-,15-/m1/s1 NGFGTMFVWSDFPS-UKRRQHHQSA-N 50536681 CHEMBL4552628 Serine/threonine-protein kinase Nek2 13000 ChEMBL 10.1016/j.bmcl.2016.02.003 10.7270/Q2NP27X5 27491711 Sloman, DL; Noucti, N; Altman, MD; Chen, D; Mislak, AC; Szewczak, A; Hayashi, M; Warren, L; Dellovade, T; Wu, Z; Marcus, J; Walker, D; Su, HP; Edavettal, SC; Munshi, S; Hutton, M; Nuthall, H; Stanton, MG Merck and Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50536681 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50536681&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 89735655 440827505 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51326409 FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1 InChI=1S/C26H26F3N5O2S/c27-26(28,29)17-31-25(35)23-12-19(16-37-23)22-14-32-34-15-20(13-30-24(22)34)18-4-6-21(7-5-18)36-11-10-33-8-2-1-3-9-33/h4-7,12-16H,1-3,8-11,17H2,(H,31,35) QNABDSWBQJKBHK-UHFFFAOYSA-N 50536675 CHEMBL4569508 Serine/threonine-protein kinase Nek2 16000 ChEMBL 10.1016/j.bmcl.2016.02.003 10.7270/Q2NP27X5 27491711 Sloman, DL; Noucti, N; Altman, MD; Chen, D; Mislak, AC; Szewczak, A; Hayashi, M; Warren, L; Dellovade, T; Wu, Z; Marcus, J; Walker, D; Su, HP; Edavettal, SC; Munshi, S; Hutton, M; Nuthall, H; Stanton, MG Merck and Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50536675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50536675&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 24759534 440827499 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51326569 Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1 LYADGAGFYYXXIO-ZWKOTPCHSA-N 50536679 CHEMBL4568087 Serine/threonine-protein kinase Nek2 950 ChEMBL 10.1016/j.bmcl.2016.02.003 10.7270/Q2NP27X5 27491711 Sloman, DL; Noucti, N; Altman, MD; Chen, D; Mislak, AC; Szewczak, A; Hayashi, M; Warren, L; Dellovade, T; Wu, Z; Marcus, J; Walker, D; Su, HP; Edavettal, SC; Munshi, S; Hutton, M; Nuthall, H; Stanton, MG Merck and Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50536679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50536679&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 59603842 440827503 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51326615 Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F InChI=1S/C17H13F3N6OS/c1-25-6-12(4-23-25)11-3-21-15-13(5-24-26(15)7-11)10-2-14(28-8-10)16(27)22-9-17(18,19)20/h2-8H,9H2,1H3,(H,22,27) UEFCSGDOOJJXTN-UHFFFAOYSA-N 50536678 CHEMBL4550702 Serine/threonine-protein kinase Nek2 >100000 ChEMBL 10.1016/j.bmcl.2016.02.003 10.7270/Q2NP27X5 27491711 Sloman, DL; Noucti, N; Altman, MD; Chen, D; Mislak, AC; Szewczak, A; Hayashi, M; Warren, L; Dellovade, T; Wu, Z; Marcus, J; Walker, D; Su, HP; Edavettal, SC; Munshi, S; Hutton, M; Nuthall, H; Stanton, MG Merck and Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50536678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50536678&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 59603829 440827502 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 50483906 C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 InChI=1S/C19H23N7O/c1-12-6-15(12)19(27)26-5-4-25(10-13(26)2)17-9-21-16(7-20)18(23-17)14-8-22-24(3)11-14/h8-9,11-13,15H,4-6,10H2,1-3H3/t12-,13-,15-/m1/s1 GXEXIUKEWXZCEF-UMVBOHGHSA-N 50537742 CHEMBL4634634::US11179389, Compound 1-14 Serine/threonine-protein kinase Nek2 >100000 ChEMBL 10.1016/j.bmcl.2019.126715 10.7270/Q2HM5CZG 31757666 Zhou, H; McGowan, MA; Lipford, K; Christopher, M; Fradera, X; Witter, D; Lesburg, CA; Li, C; Methot, JL; Lampe, J; Achab, A; Shaffer, L; Goldenblatt, P; Shah, S; Bass, A; Schroeder, G; Chen, D; Zeng, H; Augustin, MA; Katz, JD Merck & Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50537742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50537742&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 5D 6OCU 145704650 442139305 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51382750 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 HKSZLNNOFSGOKW-FYTWVXJKSA-N 2579 (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one::CHEMBL388978::Staurosporin, 4::Staurosporine::Staurosporine, 8::US9206188, Staurosporine::US9226923, Staurosporine Serine/threonine-protein kinase Nek2 170 ChEMBL 10.1016/j.bmc.2018.02.022 10.7270/Q2DJ5KB8 29523467 Hou, W; Ren, Y; Zhang, Z; Sun, H; Ma, Y; Yan, B Beijing Normal University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=2579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=2579&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search STO 1AQ1,1BYG,1E8Z,1NVR,1NXK,1OKY,1Q3D,1QPD,1QPJ,1SM2,1SNU,1STC,1U59,1WVY,1XBC,1XJD,1YHS,2BUJ,2CLQ,2DQ7,2GCD,2HW7,2ITQ,2ITU,2ITW,2NRY,2OIC 44259 8032349 15738 CHEMBL388978 346 C02079 ZINC03814434 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51368275 NC(=O)c1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 InChI=1S/C14H10N6O/c1-2-10-11-13(17-7-16-11)20-14(19-10)18-9-5-3-4-8(6-9)12(15)21/h1,3-7H,(H2,15,21)(H2,16,17,18,19,20) ZJIQAJKYTFTXRM-UHFFFAOYSA-N 50553194 CHEMBL4759854 Serine/threonine-protein kinase Nek2 116 ChEMBL 10.1039/d0md00074d 10.7270/Q2P272RV 33479670 Matheson, CJ; Coxon, CR; Bayliss, R; Boxall, K; Carbain, B; Fry, AM; Hardcastle, IR; Harnor, SJ; Mas-Droux, C; Newell, DR; Richards, MW; Sivaprakasam, M; Turner, D; Griffin, RJ; Golding, BT; Cano, C Newcastle University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50553194 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50553194&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 162658710 461691962 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51368276 NC(=O)CCc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 InChI=1S/C16H14N6O/c1-2-12-14-15(19-9-18-14)22-16(21-12)20-11-5-3-4-10(8-11)6-7-13(17)23/h1,3-5,8-9H,6-7H2,(H2,17,23)(H2,18,19,20,21,22) SEASPDPPXWCCBC-UHFFFAOYSA-N 50553195 CHEMBL4746829 Serine/threonine-protein kinase Nek2 79 ChEMBL 10.1039/d0md00074d 10.7270/Q2P272RV 33479670 Matheson, CJ; Coxon, CR; Bayliss, R; Boxall, K; Carbain, B; Fry, AM; Hardcastle, IR; Harnor, SJ; Mas-Droux, C; Newell, DR; Richards, MW; Sivaprakasam, M; Turner, D; Griffin, RJ; Golding, BT; Cano, C Newcastle University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50553195 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50553195&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 162648030 461691963 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51368277 CNC(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 InChI=1S/C16H14N6O/c1-3-12-14-15(19-9-18-14)22-16(21-12)20-11-6-4-5-10(7-11)8-13(23)17-2/h1,4-7,9H,8H2,2H3,(H,17,23)(H2,18,19,20,21,22) OWMQEJLNUZKFOM-UHFFFAOYSA-N 50553196 CHEMBL4783265 Serine/threonine-protein kinase Nek2 76 ChEMBL 10.1039/d0md00074d 10.7270/Q2P272RV 33479670 Matheson, CJ; Coxon, CR; Bayliss, R; Boxall, K; Carbain, B; Fry, AM; Hardcastle, IR; Harnor, SJ; Mas-Droux, C; Newell, DR; Richards, MW; Sivaprakasam, M; Turner, D; Griffin, RJ; Golding, BT; Cano, C Newcastle University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50553196 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50553196&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 162666414 461691964 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51368278 CNC(=O)Cc1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1 InChI=1S/C16H14N6O/c1-3-12-14-15(19-9-18-14)22-16(21-12)20-11-6-4-10(5-7-11)8-13(23)17-2/h1,4-7,9H,8H2,2H3,(H,17,23)(H2,18,19,20,21,22) TVUIAFDXDLTXGX-UHFFFAOYSA-N 50553197 CHEMBL4746054 Serine/threonine-protein kinase Nek2 72 ChEMBL 10.1039/d0md00074d 10.7270/Q2P272RV 33479670 Matheson, CJ; Coxon, CR; Bayliss, R; Boxall, K; Carbain, B; Fry, AM; Hardcastle, IR; Harnor, SJ; Mas-Droux, C; Newell, DR; Richards, MW; Sivaprakasam, M; Turner, D; Griffin, RJ; Golding, BT; Cano, C Newcastle University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50553197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50553197&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 162647874 461691965 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51368279 CN(C)C(=O)Cc1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1 InChI=1S/C17H16N6O/c1-4-13-15-16(19-10-18-15)22-17(21-13)20-12-7-5-11(6-8-12)9-14(24)23(2)3/h1,5-8,10H,9H2,2-3H3,(H2,18,19,20,21,22) NJYWEFCVBJNUOV-UHFFFAOYSA-N 50553198 CHEMBL4796754 Serine/threonine-protein kinase Nek2 57 ChEMBL 10.1039/d0md00074d 10.7270/Q2P272RV 33479670 Matheson, CJ; Coxon, CR; Bayliss, R; Boxall, K; Carbain, B; Fry, AM; Hardcastle, IR; Harnor, SJ; Mas-Droux, C; Newell, DR; Richards, MW; Sivaprakasam, M; Turner, D; Griffin, RJ; Golding, BT; Cano, C Newcastle University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50553198 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50553198&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 162676333 461691966 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51368280 CNC(=O)C(C(=O)NC)c1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1 InChI=1S/C18H17N7O2/c1-4-12-14-15(22-9-21-14)25-18(24-12)23-11-7-5-10(6-8-11)13(16(26)19-2)17(27)20-3/h1,5-9,13H,2-3H3,(H,19,26)(H,20,27)(H2,21,22,23,24,25) RJLIEJVMNNDBLN-UHFFFAOYSA-N 50553199 CHEMBL4795738 Serine/threonine-protein kinase Nek2 71 ChEMBL 10.1039/d0md00074d 10.7270/Q2P272RV 33479670 Matheson, CJ; Coxon, CR; Bayliss, R; Boxall, K; Carbain, B; Fry, AM; Hardcastle, IR; Harnor, SJ; Mas-Droux, C; Newell, DR; Richards, MW; Sivaprakasam, M; Turner, D; Griffin, RJ; Golding, BT; Cano, C Newcastle University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50553199 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50553199&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 162673467 461691967 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51368281 CNC(=O)c1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 InChI=1S/C15H12N6O/c1-3-11-12-13(18-8-17-12)21-15(20-11)19-10-6-4-5-9(7-10)14(22)16-2/h1,4-8H,2H3,(H,16,22)(H2,17,18,19,20,21) INNROAIAYWDLLH-UHFFFAOYSA-N 50553200 CHEMBL4796125 Serine/threonine-protein kinase Nek2 26 ChEMBL 10.1039/d0md00074d 10.7270/Q2P272RV 33479670 Matheson, CJ; Coxon, CR; Bayliss, R; Boxall, K; Carbain, B; Fry, AM; Hardcastle, IR; Harnor, SJ; Mas-Droux, C; Newell, DR; Richards, MW; Sivaprakasam, M; Turner, D; Griffin, RJ; Golding, BT; Cano, C Newcastle University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50553200 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50553200&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 162674140 461691968 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51368282 CN(C)C(=O)c1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 InChI=1S/C16H14N6O/c1-4-12-13-14(18-9-17-13)21-16(20-12)19-11-7-5-6-10(8-11)15(23)22(2)3/h1,5-9H,2-3H3,(H2,17,18,19,20,21) SMNPXRSXMMRVQE-UHFFFAOYSA-N 50553201 CHEMBL4775990 Serine/threonine-protein kinase Nek2 50 ChEMBL 10.1039/d0md00074d 10.7270/Q2P272RV 33479670 Matheson, CJ; Coxon, CR; Bayliss, R; Boxall, K; Carbain, B; Fry, AM; Hardcastle, IR; Harnor, SJ; Mas-Droux, C; Newell, DR; Richards, MW; Sivaprakasam, M; Turner, D; Griffin, RJ; Golding, BT; Cano, C Newcastle University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50553201 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50553201&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 162643411 461691969 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51368283 NC(=O)c1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1 InChI=1S/C14H10N6O/c1-2-10-11-13(17-7-16-11)20-14(19-10)18-9-5-3-8(4-6-9)12(15)21/h1,3-7H,(H2,15,21)(H2,16,17,18,19,20) PXGGQROMVLUMDQ-UHFFFAOYSA-N 50553202 CHEMBL4753609 Serine/threonine-protein kinase Nek2 110 ChEMBL 10.1039/d0md00074d 10.7270/Q2P272RV 33479670 Matheson, CJ; Coxon, CR; Bayliss, R; Boxall, K; Carbain, B; Fry, AM; Hardcastle, IR; Harnor, SJ; Mas-Droux, C; Newell, DR; Richards, MW; Sivaprakasam, M; Turner, D; Griffin, RJ; Golding, BT; Cano, C Newcastle University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50553202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50553202&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 162653482 461691970 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51368284 CNC(=O)c1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1 InChI=1S/C15H12N6O/c1-3-11-12-13(18-8-17-12)21-15(20-11)19-10-6-4-9(5-7-10)14(22)16-2/h1,4-8H,2H3,(H,16,22)(H2,17,18,19,20,21) CCEQHBDFBPUQRB-UHFFFAOYSA-N 50553203 CHEMBL4756141 Serine/threonine-protein kinase Nek2 110 ChEMBL 10.1039/d0md00074d 10.7270/Q2P272RV 33479670 Matheson, CJ; Coxon, CR; Bayliss, R; Boxall, K; Carbain, B; Fry, AM; Hardcastle, IR; Harnor, SJ; Mas-Droux, C; Newell, DR; Richards, MW; Sivaprakasam, M; Turner, D; Griffin, RJ; Golding, BT; Cano, C Newcastle University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50553203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50553203&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 162655267 461691971 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51368285 CN(C)C(=O)c1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1 InChI=1S/C16H14N6O/c1-4-12-13-14(18-9-17-13)21-16(20-12)19-11-7-5-10(6-8-11)15(23)22(2)3/h1,5-9H,2-3H3,(H2,17,18,19,20,21) HNPJMRRJBNWRHL-UHFFFAOYSA-N 50553204 CHEMBL4748191 Serine/threonine-protein kinase Nek2 64 ChEMBL 10.1039/d0md00074d 10.7270/Q2P272RV 33479670 Matheson, CJ; Coxon, CR; Bayliss, R; Boxall, K; Carbain, B; Fry, AM; Hardcastle, IR; Harnor, SJ; Mas-Droux, C; Newell, DR; Richards, MW; Sivaprakasam, M; Turner, D; Griffin, RJ; Golding, BT; Cano, C Newcastle University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50553204 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50553204&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 162650077 461691972 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51368286 CC(=O)Nc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 InChI=1S/C15H12N6O/c1-3-12-13-14(17-8-16-13)21-15(20-12)19-11-6-4-5-10(7-11)18-9(2)22/h1,4-8H,2H3,(H,18,22)(H2,16,17,19,20,21) AXQPGYHHCYHGPC-UHFFFAOYSA-N 50553205 CHEMBL4743876 Serine/threonine-protein kinase Nek2 39 ChEMBL 10.1039/d0md00074d 10.7270/Q2P272RV 33479670 Matheson, CJ; Coxon, CR; Bayliss, R; Boxall, K; Carbain, B; Fry, AM; Hardcastle, IR; Harnor, SJ; Mas-Droux, C; Newell, DR; Richards, MW; Sivaprakasam, M; Turner, D; Griffin, RJ; Golding, BT; Cano, C Newcastle University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50553205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50553205&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 162645851 461691973 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51368287 CC(C)(C(N)=O)c1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 InChI=1S/C17H16N6O/c1-4-12-13-14(20-9-19-13)23-16(22-12)21-11-7-5-6-10(8-11)17(2,3)15(18)24/h1,5-9H,2-3H3,(H2,18,24)(H2,19,20,21,22,23) PZNXMENHIQZSNY-UHFFFAOYSA-N 50553206 CHEMBL4751371 Serine/threonine-protein kinase Nek2 210 ChEMBL 10.1039/d0md00074d 10.7270/Q2P272RV 33479670 Matheson, CJ; Coxon, CR; Bayliss, R; Boxall, K; Carbain, B; Fry, AM; Hardcastle, IR; Harnor, SJ; Mas-Droux, C; Newell, DR; Richards, MW; Sivaprakasam, M; Turner, D; Griffin, RJ; Golding, BT; Cano, C Newcastle University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50553206 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50553206&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 162650775 461691974 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51368288 NC(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 InChI=1S/C15H12N6O/c1-2-11-13-14(18-8-17-13)21-15(20-11)19-10-5-3-4-9(6-10)7-12(16)22/h1,3-6,8H,7H2,(H2,16,22)(H2,17,18,19,20,21) CJQGLUJHMXCLQY-UHFFFAOYSA-N 50553207 CHEMBL4786783 Serine/threonine-protein kinase Nek2 62 ChEMBL 10.1039/d0md00074d 10.7270/Q2P272RV 33479670 Matheson, CJ; Coxon, CR; Bayliss, R; Boxall, K; Carbain, B; Fry, AM; Hardcastle, IR; Harnor, SJ; Mas-Droux, C; Newell, DR; Richards, MW; Sivaprakasam, M; Turner, D; Griffin, RJ; Golding, BT; Cano, C Newcastle University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50553207 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50553207&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 56944360 461691975 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51368289 NC(=O)Cc1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1 InChI=1S/C15H12N6O/c1-2-11-13-14(18-8-17-13)21-15(20-11)19-10-5-3-9(4-6-10)7-12(16)22/h1,3-6,8H,7H2,(H2,16,22)(H2,17,18,19,20,21) PNAPIWWSSSUJJA-UHFFFAOYSA-N 50553208 CHEMBL4776060 Serine/threonine-protein kinase Nek2 93 ChEMBL 10.1039/d0md00074d 10.7270/Q2P272RV 33479670 Matheson, CJ; Coxon, CR; Bayliss, R; Boxall, K; Carbain, B; Fry, AM; Hardcastle, IR; Harnor, SJ; Mas-Droux, C; Newell, DR; Richards, MW; Sivaprakasam, M; Turner, D; Griffin, RJ; Golding, BT; Cano, C Newcastle University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50553208 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50553208&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 162642974 461691976 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51368290 CN(C)C(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 InChI=1S/C17H16N6O/c1-4-13-15-16(19-10-18-15)22-17(21-13)20-12-7-5-6-11(8-12)9-14(24)23(2)3/h1,5-8,10H,9H2,2-3H3,(H2,18,19,20,21,22) LYPKXMSUWSSBLA-UHFFFAOYSA-N 50553209 CHEMBL4761123 Serine/threonine-protein kinase Nek2 88 ChEMBL 10.1039/d0md00074d 10.7270/Q2P272RV 33479670 Matheson, CJ; Coxon, CR; Bayliss, R; Boxall, K; Carbain, B; Fry, AM; Hardcastle, IR; Harnor, SJ; Mas-Droux, C; Newell, DR; Richards, MW; Sivaprakasam, M; Turner, D; Griffin, RJ; Golding, BT; Cano, C Newcastle University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50553209 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50553209&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 162659686 461691977 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51368291 O=C1Cc2cc(Nc3nc(C#C)c4nc[nH]c4n3)ccc2N1 InChI=1S/C15H10N6O/c1-2-10-13-14(17-7-16-13)21-15(20-10)18-9-3-4-11-8(5-9)6-12(22)19-11/h1,3-5,7H,6H2,(H,19,22)(H2,16,17,18,20,21) YADBEVDETDMGMF-UHFFFAOYSA-N 50553210 CHEMBL4754015 Serine/threonine-protein kinase Nek2 100 ChEMBL 10.1039/d0md00074d 10.7270/Q2P272RV 33479670 Matheson, CJ; Coxon, CR; Bayliss, R; Boxall, K; Carbain, B; Fry, AM; Hardcastle, IR; Harnor, SJ; Mas-Droux, C; Newell, DR; Richards, MW; Sivaprakasam, M; Turner, D; Griffin, RJ; Golding, BT; Cano, C Newcastle University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50553210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50553210&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 162654465 461691978 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51368292 O=C1Cc2cccc(Nc3nc(C#C)c4nc[nH]c4n3)c2N1 InChI=1S/C15H10N6O/c1-2-9-13-14(17-7-16-13)21-15(18-9)19-10-5-3-4-8-6-11(22)20-12(8)10/h1,3-5,7H,6H2,(H,20,22)(H2,16,17,18,19,21) ZSQVIIFGZWBQIE-UHFFFAOYSA-N 50553211 CHEMBL4785527 Serine/threonine-protein kinase Nek2 820 ChEMBL 10.1039/d0md00074d 10.7270/Q2P272RV 33479670 Matheson, CJ; Coxon, CR; Bayliss, R; Boxall, K; Carbain, B; Fry, AM; Hardcastle, IR; Harnor, SJ; Mas-Droux, C; Newell, DR; Richards, MW; Sivaprakasam, M; Turner, D; Griffin, RJ; Golding, BT; Cano, C Newcastle University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50553211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50553211&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 162667070 461691979 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51368293 CN1CCc2ccc(Nc3nc(C#C)c4nc[nH]c4n3)cc2C1=O InChI=1S/C17H14N6O/c1-3-13-14-15(19-9-18-14)22-17(21-13)20-11-5-4-10-6-7-23(2)16(24)12(10)8-11/h1,4-5,8-9H,6-7H2,2H3,(H2,18,19,20,21,22) BMTCXQSTPVRURZ-UHFFFAOYSA-N 50553212 CHEMBL4763380 Serine/threonine-protein kinase Nek2 10.0 ChEMBL 10.1039/d0md00074d 10.7270/Q2P272RV 33479670 Matheson, CJ; Coxon, CR; Bayliss, R; Boxall, K; Carbain, B; Fry, AM; Hardcastle, IR; Harnor, SJ; Mas-Droux, C; Newell, DR; Richards, MW; Sivaprakasam, M; Turner, D; Griffin, RJ; Golding, BT; Cano, C Newcastle University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50553212 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50553212&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 162660068 461691980 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51368294 CN1Cc2cc(Nc3nc(C#C)c4nc[nH]c4n3)ccc2CC1=O InChI=1S/C17H14N6O/c1-3-13-15-16(19-9-18-15)22-17(21-13)20-12-5-4-10-7-14(24)23(2)8-11(10)6-12/h1,4-6,9H,7-8H2,2H3,(H2,18,19,20,21,22) FRXYVFRBVBUSFO-UHFFFAOYSA-N 50553213 CHEMBL4779487 Serine/threonine-protein kinase Nek2 42 ChEMBL 10.1039/d0md00074d 10.7270/Q2P272RV 33479670 Matheson, CJ; Coxon, CR; Bayliss, R; Boxall, K; Carbain, B; Fry, AM; Hardcastle, IR; Harnor, SJ; Mas-Droux, C; Newell, DR; Richards, MW; Sivaprakasam, M; Turner, D; Griffin, RJ; Golding, BT; Cano, C Newcastle University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50553213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50553213&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 162663030 461691981 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51368295 CC(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 InChI=1S/C16H13N5O/c1-3-13-14-15(18-9-17-14)21-16(20-13)19-12-6-4-5-11(8-12)7-10(2)22/h1,4-6,8-9H,7H2,2H3,(H2,17,18,19,20,21) GBVGEGLYPVSUGT-UHFFFAOYSA-N 50553214 CHEMBL4776787 Serine/threonine-protein kinase Nek2 76 ChEMBL 10.1039/d0md00074d 10.7270/Q2P272RV 33479670 Matheson, CJ; Coxon, CR; Bayliss, R; Boxall, K; Carbain, B; Fry, AM; Hardcastle, IR; Harnor, SJ; Mas-Droux, C; Newell, DR; Richards, MW; Sivaprakasam, M; Turner, D; Griffin, RJ; Golding, BT; Cano, C Newcastle University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50553214 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50553214&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 162643872 461691982 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51368296 CS(=O)(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 InChI=1S/C15H13N5O2S/c1-3-12-13-14(17-9-16-13)20-15(19-12)18-11-6-4-5-10(7-11)8-23(2,21)22/h1,4-7,9H,8H2,2H3,(H2,16,17,18,19,20) ICGGNXKNJMSTMG-UHFFFAOYSA-N 50553215 CHEMBL4783060 Serine/threonine-protein kinase Nek2 57 ChEMBL 10.1039/d0md00074d 10.7270/Q2P272RV 33479670 Matheson, CJ; Coxon, CR; Bayliss, R; Boxall, K; Carbain, B; Fry, AM; Hardcastle, IR; Harnor, SJ; Mas-Droux, C; Newell, DR; Richards, MW; Sivaprakasam, M; Turner, D; Griffin, RJ; Golding, BT; Cano, C Newcastle University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50553215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50553215&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 162664697 461691983 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51368297 NS(=O)(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 InChI=1S/C14H12N6O2S/c1-2-11-12-13(17-8-16-12)20-14(19-11)18-10-5-3-4-9(6-10)7-23(15,21)22/h1,3-6,8H,7H2,(H2,15,21,22)(H2,16,17,18,19,20) BWBNBEKPLPWSNC-UHFFFAOYSA-N 50553216 CHEMBL4754958 Serine/threonine-protein kinase Nek2 130 ChEMBL 10.1039/d0md00074d 10.7270/Q2P272RV 33479670 Matheson, CJ; Coxon, CR; Bayliss, R; Boxall, K; Carbain, B; Fry, AM; Hardcastle, IR; Harnor, SJ; Mas-Droux, C; Newell, DR; Richards, MW; Sivaprakasam, M; Turner, D; Griffin, RJ; Golding, BT; Cano, C Newcastle University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50553216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50553216&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 162654561 461691984 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51368298 CN(C)S(=O)(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 InChI=1S/C16H16N6O2S/c1-4-13-14-15(18-10-17-14)21-16(20-13)19-12-7-5-6-11(8-12)9-25(23,24)22(2)3/h1,5-8,10H,9H2,2-3H3,(H2,17,18,19,20,21) MAPCTMAEGHSABW-UHFFFAOYSA-N 50553217 CHEMBL4761747 Serine/threonine-protein kinase Nek2 10.0 ChEMBL 10.1039/d0md00074d 10.7270/Q2P272RV 33479670 Matheson, CJ; Coxon, CR; Bayliss, R; Boxall, K; Carbain, B; Fry, AM; Hardcastle, IR; Harnor, SJ; Mas-Droux, C; Newell, DR; Richards, MW; Sivaprakasam, M; Turner, D; Griffin, RJ; Golding, BT; Cano, C Newcastle University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50553217 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50553217&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 162659538 461691985 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51368299 C#Cc1nc(Nc2ccccc2)nc2[nH]cnc12 InChI=1S/C13H9N5/c1-2-10-11-12(15-8-14-11)18-13(17-10)16-9-6-4-3-5-7-9/h1,3-8H,(H2,14,15,16,17,18) PRKFJWMFXNJCLC-UHFFFAOYSA-N 50235350 CHEMBL4094562 Serine/threonine-protein kinase Nek2 140 ChEMBL 10.1039/d0md00074d 10.7270/Q2P272RV 33479670 Matheson, CJ; Coxon, CR; Bayliss, R; Boxall, K; Carbain, B; Fry, AM; Hardcastle, IR; Harnor, SJ; Mas-Droux, C; Newell, DR; Richards, MW; Sivaprakasam, M; Turner, D; Griffin, RJ; Golding, BT; Cano, C Newcastle University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50235350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50235350&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 137653554 384991224 CHEMBL4094562 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51368300 NS(=O)(=O)c1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1 InChI=1S/C13H10N6O2S/c1-2-10-11-12(16-7-15-11)19-13(18-10)17-8-3-5-9(6-4-8)22(14,20)21/h1,3-7H,(H2,14,20,21)(H2,15,16,17,18,19) IOGIUPJAOMXLRJ-UHFFFAOYSA-N 50235361 CHEMBL4074015 Serine/threonine-protein kinase Nek2 140 ChEMBL 10.1039/d0md00074d 10.7270/Q2P272RV 33479670 Matheson, CJ; Coxon, CR; Bayliss, R; Boxall, K; Carbain, B; Fry, AM; Hardcastle, IR; Harnor, SJ; Mas-Droux, C; Newell, DR; Richards, MW; Sivaprakasam, M; Turner, D; Griffin, RJ; Golding, BT; Cano, C Newcastle University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50235361 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50235361&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 137640457 384991235 CHEMBL4074015 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51368301 CCc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc2[nH]cnc12 InChI=1S/C13H14N6O2S/c1-2-10-11-12(16-7-15-11)19-13(18-10)17-8-3-5-9(6-4-8)22(14,20)21/h3-7H,2H2,1H3,(H2,14,20,21)(H2,15,16,17,18,19) UZLCQAXOQKFVGP-UHFFFAOYSA-N 50235353 CHEMBL4090226 Serine/threonine-protein kinase Nek2 46800 ChEMBL 10.1039/d0md00074d 10.7270/Q2P272RV 33479670 Matheson, CJ; Coxon, CR; Bayliss, R; Boxall, K; Carbain, B; Fry, AM; Hardcastle, IR; Harnor, SJ; Mas-Droux, C; Newell, DR; Richards, MW; Sivaprakasam, M; Turner, D; Griffin, RJ; Golding, BT; Cano, C Newcastle University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50235353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50235353&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 137643315 384991227 CHEMBL4090226 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51368302 N#Cc1nc(Nc2ccccc2)nc2[nH]cnc12 InChI=1S/C12H8N6/c13-6-9-10-11(15-7-14-10)18-12(17-9)16-8-4-2-1-3-5-8/h1-5,7H,(H2,14,15,16,17,18) CVPBLNRTHSCHMF-UHFFFAOYSA-N 50553218 CHEMBL4755796 Serine/threonine-protein kinase Nek2 12000 ChEMBL 10.1039/d0md00074d 10.7270/Q2P272RV 33479670 Matheson, CJ; Coxon, CR; Bayliss, R; Boxall, K; Carbain, B; Fry, AM; Hardcastle, IR; Harnor, SJ; Mas-Droux, C; Newell, DR; Richards, MW; Sivaprakasam, M; Turner, D; Griffin, RJ; Golding, BT; Cano, C Newcastle University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50553218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50553218&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search LCQ 6SGK 146170572 461691986 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51368303 NC(=O)c1cccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)c1 InChI=1S/C19H22N6O2/c20-16(26)13-7-4-8-14(9-13)23-19-24-17-15(21-11-22-17)18(25-19)27-10-12-5-2-1-3-6-12/h4,7-9,11-12H,1-3,5-6,10H2,(H2,20,26)(H2,21,22,23,24,25) XAOVCENYRWWHPR-UHFFFAOYSA-N 50553219 CHEMBL4742985 Serine/threonine-protein kinase Nek2 19000 ChEMBL 10.1039/d0md00074d 10.7270/Q2P272RV 33479670 Matheson, CJ; Coxon, CR; Bayliss, R; Boxall, K; Carbain, B; Fry, AM; Hardcastle, IR; Harnor, SJ; Mas-Droux, C; Newell, DR; Richards, MW; Sivaprakasam, M; Turner, D; Griffin, RJ; Golding, BT; Cano, C Newcastle University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50553219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50553219&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search NU6 5M51 122199241 461691987 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51368306 NC(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 InChI=1S/C15H12N6O/c1-2-11-13-14(18-8-17-13)21-15(20-11)19-10-5-3-4-9(6-10)7-12(16)22/h1,3-6,8H,7H2,(H2,16,22)(H2,17,18,19,20,21) CJQGLUJHMXCLQY-UHFFFAOYSA-N 50553207 CHEMBL4786783 Serine/threonine-protein kinase Nek2 18 ChEMBL 10.1039/d0md00074d 10.7270/Q2P272RV 33479670 Matheson, CJ; Coxon, CR; Bayliss, R; Boxall, K; Carbain, B; Fry, AM; Hardcastle, IR; Harnor, SJ; Mas-Droux, C; Newell, DR; Richards, MW; Sivaprakasam, M; Turner, D; Griffin, RJ; Golding, BT; Cano, C Newcastle University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50553207 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50553207&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 56944360 461691975 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51368307 NS(=O)(=O)c1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1 InChI=1S/C13H10N6O2S/c1-2-10-11-12(16-7-15-11)19-13(18-10)17-8-3-5-9(6-4-8)22(14,20)21/h1,3-7H,(H2,14,20,21)(H2,15,16,17,18,19) IOGIUPJAOMXLRJ-UHFFFAOYSA-N 50235361 CHEMBL4074015 Serine/threonine-protein kinase Nek2 140 ChEMBL 10.1039/d0md00074d 10.7270/Q2P272RV 33479670 Matheson, CJ; Coxon, CR; Bayliss, R; Boxall, K; Carbain, B; Fry, AM; Hardcastle, IR; Harnor, SJ; Mas-Droux, C; Newell, DR; Richards, MW; Sivaprakasam, M; Turner, D; Griffin, RJ; Golding, BT; Cano, C Newcastle University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50235361 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50235361&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 137640457 384991235 CHEMBL4074015 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51368308 C#Cc1nc(Nc2ccccc2)nc2[nH]cnc12 InChI=1S/C13H9N5/c1-2-10-11-12(15-8-14-11)18-13(17-10)16-9-6-4-3-5-7-9/h1,3-8H,(H2,14,15,16,17,18) PRKFJWMFXNJCLC-UHFFFAOYSA-N 50235350 CHEMBL4094562 Serine/threonine-protein kinase Nek2 150 ChEMBL 10.1039/d0md00074d 10.7270/Q2P272RV 33479670 Matheson, CJ; Coxon, CR; Bayliss, R; Boxall, K; Carbain, B; Fry, AM; Hardcastle, IR; Harnor, SJ; Mas-Droux, C; Newell, DR; Richards, MW; Sivaprakasam, M; Turner, D; Griffin, RJ; Golding, BT; Cano, C Newcastle University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50235350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50235350&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 137653554 384991224 CHEMBL4094562 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51368319 CCc1nc(C)c(C=C2C(=O)Nc3ccc(NC(=O)C#C)cc23)[nH]1 InChI=1S/C18H16N4O2/c1-4-16-19-10(3)15(21-16)9-13-12-8-11(20-17(23)5-2)6-7-14(12)22-18(13)24/h2,6-9H,4H2,1,3H3,(H,19,21)(H,20,23)(H,22,24) ORKOHXAJFGRZCL-UHFFFAOYSA-N 50347863 CHEMBL1802870 Serine/threonine-protein kinase Nek2 770 ChEMBL 10.1039/d0md00074d 10.7270/Q2P272RV 33479670 Matheson, CJ; Coxon, CR; Bayliss, R; Boxall, K; Carbain, B; Fry, AM; Hardcastle, IR; Harnor, SJ; Mas-Droux, C; Newell, DR; Richards, MW; Sivaprakasam, M; Turner, D; Griffin, RJ; Golding, BT; Cano, C Newcastle University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50347863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50347863&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 53262909 136354549 CHEMBL1802870 ZINC72108869 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51400239 CC(C)(C)c1cc(NC(=O)Cc2ccc(Nc3ncnc4[nH]c(cc34)-c3ccc(cc3)S(C)(=O)=O)cc2)no1 InChI=1S/C28H28N6O4S/c1-28(2,3)23-15-24(34-38-23)33-25(35)13-17-5-9-19(10-6-17)31-26-21-14-22(32-27(21)30-16-29-26)18-7-11-20(12-8-18)39(4,36)37/h5-12,14-16H,13H2,1-4H3,(H,33,34,35)(H2,29,30,31,32) ZBZATSVLKXDTMV-UHFFFAOYSA-N 50565637 CHEMBL4791960 Serine/threonine-protein kinase Nek2 >200000 ChEMBL 10.1016/j.ejmech.2020.112691 10.7270/Q29C725X 32823007 Lakkaniga, NR; Gunaganti, N; Zhang, L; Belachew, B; Frett, B; Leung, YK; Li, HY University of Arkansas for Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565637 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565637&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 162672262 461685975 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51408778 Cn1cc(cn1)-c1cc2ncnc(Nc3ccc(CC(=O)Nc4cc(nn4C)C(C)(C)C)cc3)c2s1 InChI=1S/C26H28N8OS/c1-26(2,3)21-12-22(34(5)32-21)31-23(35)10-16-6-8-18(9-7-16)30-25-24-19(27-15-28-25)11-20(36-24)17-13-29-33(4)14-17/h6-9,11-15H,10H2,1-5H3,(H,31,35)(H,27,28,30) CFAOOHPDKFUMTF-UHFFFAOYSA-N 50568968 CHEMBL4868797 Serine/threonine-protein kinase Nek2 >200000 ChEMBL 10.1016/j.ejmech.2021.113265 10.7270/Q2SF30XG 33652352 Yan, W; Zhang, L; Lv, F; Moccia, M; Carlomagno, F; Landry, C; Santoro, M; Gosselet, F; Frett, B; Li, HY University of Arkansas for Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50568968 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50568968&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 164620237 471059113 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51421182 C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2cc(ccn12)-c1cnn(CCN(C)C)c1)c1ccccc1C(F)(F)F InChI=1S/C28H27F3N6O2S/c1-17(20-6-4-5-7-21(20)28(29,30)31)39-23-13-24(40-26(23)27(32)38)22-15-33-25-12-18(8-9-37(22)25)19-14-34-36(16-19)11-10-35(2)3/h4-9,12-17H,10-11H2,1-3H3,(H2,32,38)/t17-/m1/s1 BQODGOMHYSMCGK-QGZVFWFLSA-N 50574084 CHEMBL4860697 Serine/threonine-protein kinase Nek2 3.2 ChEMBL 10.1016/j.ejmech.2021.113776 10.7270/Q2NZ8CFK 34479037 Zhang, L; Lakkaniga, NR; Bharate, JB; Mcconnell, N; Wang, X; Kharbanda, A; Leung, YK; Frett, B; Shah, NP; Li, HY University of Arkansas for Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574084&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 134470304 471064229 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51421183 CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(s1)C(N)=O InChI=1S/C19H20N6OS/c1-23(2)7-8-24-12-14(10-22-24)13-5-6-25-15(11-21-18(25)9-13)16-3-4-17(27-16)19(20)26/h3-6,9-12H,7-8H2,1-2H3,(H2,20,26) BCRYWGQAEVAUIL-UHFFFAOYSA-N 50574085 CHEMBL4863351 Serine/threonine-protein kinase Nek2 1300 ChEMBL 10.1016/j.ejmech.2021.113776 10.7270/Q2NZ8CFK 34479037 Zhang, L; Lakkaniga, NR; Bharate, JB; Mcconnell, N; Wang, X; Kharbanda, A; Leung, YK; Frett, B; Shah, NP; Li, HY University of Arkansas for Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574085 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574085&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 164622155 471064230 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51421184 Cn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(s1)C(N)=O InChI=1S/C16H13N5OS/c1-20-9-11(7-19-20)10-4-5-21-12(8-18-15(21)6-10)13-2-3-14(23-13)16(17)22/h2-9H,1H3,(H2,17,22) DYPBJWHZPHHJCJ-UHFFFAOYSA-N 50574086 CHEMBL4868026 Serine/threonine-protein kinase Nek2 2350 ChEMBL 10.1016/j.ejmech.2021.113776 10.7270/Q2NZ8CFK 34479037 Zhang, L; Lakkaniga, NR; Bharate, JB; Mcconnell, N; Wang, X; Kharbanda, A; Leung, YK; Frett, B; Shah, NP; Li, HY University of Arkansas for Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574086 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574086&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 164618457 471064231 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51421185 Cn1cc(cn1)-c1ccc(s1)-c1cnc2cc(ccn12)-c1cnn(C)c1 InChI=1S/C19H16N6S/c1-23-11-14(8-21-23)13-5-6-25-16(10-20-19(25)7-13)18-4-3-17(26-18)15-9-22-24(2)12-15/h3-12H,1-2H3 ZLGNPENTAIWGHF-UHFFFAOYSA-N 50574087 CHEMBL4868818 Serine/threonine-protein kinase Nek2 >20000 ChEMBL 10.1016/j.ejmech.2021.113776 10.7270/Q2NZ8CFK 34479037 Zhang, L; Lakkaniga, NR; Bharate, JB; Mcconnell, N; Wang, X; Kharbanda, A; Leung, YK; Frett, B; Shah, NP; Li, HY University of Arkansas for Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574087&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 164620635 471064232 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51421186 Cn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(s1)-c1ccc(F)cc1 InChI=1S/C21H15FN4S/c1-25-13-16(11-24-25)15-8-9-26-18(12-23-21(26)10-15)20-7-6-19(27-20)14-2-4-17(22)5-3-14/h2-13H,1H3 HFFSZPLVCPAQOO-UHFFFAOYSA-N 50574088 CHEMBL4859133 Serine/threonine-protein kinase Nek2 >20000 ChEMBL 10.1016/j.ejmech.2021.113776 10.7270/Q2NZ8CFK 34479037 Zhang, L; Lakkaniga, NR; Bharate, JB; Mcconnell, N; Wang, X; Kharbanda, A; Leung, YK; Frett, B; Shah, NP; Li, HY University of Arkansas for Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574088&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 164616414 471064233 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51421187 Cn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(s1)-c1cccc(F)c1 InChI=1S/C21H15FN4S/c1-25-13-16(11-24-25)14-7-8-26-18(12-23-21(26)10-14)20-6-5-19(27-20)15-3-2-4-17(22)9-15/h2-13H,1H3 PNQMNHOOOYLLRK-UHFFFAOYSA-N 50574089 CHEMBL4876014 Serine/threonine-protein kinase Nek2 >20000 ChEMBL 10.1016/j.ejmech.2021.113776 10.7270/Q2NZ8CFK 34479037 Zhang, L; Lakkaniga, NR; Bharate, JB; Mcconnell, N; Wang, X; Kharbanda, A; Leung, YK; Frett, B; Shah, NP; Li, HY University of Arkansas for Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574089&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 164627013 471064234 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51421188 Cn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(s1)-c1ccc(Cl)cc1 InChI=1S/C21H15ClN4S/c1-25-13-16(11-24-25)15-8-9-26-18(12-23-21(26)10-15)20-7-6-19(27-20)14-2-4-17(22)5-3-14/h2-13H,1H3 LBLFDFHMBOQSLV-UHFFFAOYSA-N 50574090 CHEMBL4863689 Serine/threonine-protein kinase Nek2 >20000 ChEMBL 10.1016/j.ejmech.2021.113776 10.7270/Q2NZ8CFK 34479037 Zhang, L; Lakkaniga, NR; Bharate, JB; Mcconnell, N; Wang, X; Kharbanda, A; Leung, YK; Frett, B; Shah, NP; Li, HY University of Arkansas for Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574090&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 164620855 471064235 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51421189 Cn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(s1)-c1cccc(Cl)c1 InChI=1S/C21H15ClN4S/c1-25-13-16(11-24-25)14-7-8-26-18(12-23-21(26)10-14)20-6-5-19(27-20)15-3-2-4-17(22)9-15/h2-13H,1H3 JGDCBWHESDAKNG-UHFFFAOYSA-N 50574091 CHEMBL4847680 Serine/threonine-protein kinase Nek2 20000 ChEMBL 10.1016/j.ejmech.2021.113776 10.7270/Q2NZ8CFK 34479037 Zhang, L; Lakkaniga, NR; Bharate, JB; Mcconnell, N; Wang, X; Kharbanda, A; Leung, YK; Frett, B; Shah, NP; Li, HY University of Arkansas for Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574091&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 164612637 471064236 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51421190 COc1cccc(OC)c1-c1ccc(s1)-c1cnc2cc(ccn12)-c1cnn(C)c1 InChI=1S/C23H20N4O2S/c1-26-14-16(12-25-26)15-9-10-27-17(13-24-22(27)11-15)20-7-8-21(30-20)23-18(28-2)5-4-6-19(23)29-3/h4-14H,1-3H3 KLSHWIBNWRYPMS-UHFFFAOYSA-N 50574093 CHEMBL4852822 Serine/threonine-protein kinase Nek2 >20000 ChEMBL 10.1016/j.ejmech.2021.113776 10.7270/Q2NZ8CFK 34479037 Zhang, L; Lakkaniga, NR; Bharate, JB; Mcconnell, N; Wang, X; Kharbanda, A; Leung, YK; Frett, B; Shah, NP; Li, HY University of Arkansas for Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574093&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 164616232 471064238 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51421191 Cn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(s1)-c1ccncc1 InChI=1S/C20H15N5S/c1-24-13-16(11-23-24)15-6-9-25-17(12-22-20(25)10-15)19-3-2-18(26-19)14-4-7-21-8-5-14/h2-13H,1H3 SMRUCMUVDGDVNS-UHFFFAOYSA-N 50574094 CHEMBL4849959 Serine/threonine-protein kinase Nek2 >20000 ChEMBL 10.1016/j.ejmech.2021.113776 10.7270/Q2NZ8CFK 34479037 Zhang, L; Lakkaniga, NR; Bharate, JB; Mcconnell, N; Wang, X; Kharbanda, A; Leung, YK; Frett, B; Shah, NP; Li, HY University of Arkansas for Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574094&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 164616134 471064239 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51421192 Cn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(s1)-c1cccnc1 InChI=1S/C20H15N5S/c1-24-13-16(11-23-24)14-6-8-25-17(12-22-20(25)9-14)19-5-4-18(26-19)15-3-2-7-21-10-15/h2-13H,1H3 LLLYLCMRIXFFOH-UHFFFAOYSA-N 50574095 CHEMBL4870662 Serine/threonine-protein kinase Nek2 20000 ChEMBL 10.1016/j.ejmech.2021.113776 10.7270/Q2NZ8CFK 34479037 Zhang, L; Lakkaniga, NR; Bharate, JB; Mcconnell, N; Wang, X; Kharbanda, A; Leung, YK; Frett, B; Shah, NP; Li, HY University of Arkansas for Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574095&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 164625241 471064240 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51421193 Cn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(s1)-c1cccc(c1)C(F)(F)F InChI=1S/C22H15F3N4S/c1-28-13-16(11-27-28)14-7-8-29-18(12-26-21(29)10-14)20-6-5-19(30-20)15-3-2-4-17(9-15)22(23,24)25/h2-13H,1H3 PEBCKPZEQJZPFB-UHFFFAOYSA-N 50574096 CHEMBL4860913 Serine/threonine-protein kinase Nek2 >20000 ChEMBL 10.1016/j.ejmech.2021.113776 10.7270/Q2NZ8CFK 34479037 Zhang, L; Lakkaniga, NR; Bharate, JB; Mcconnell, N; Wang, X; Kharbanda, A; Leung, YK; Frett, B; Shah, NP; Li, HY University of Arkansas for Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574096 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574096&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 164616547 471064241 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51421194 Cn1cc(cn1)-c1ccc(s1)-c1cnc2cc(ccn12)-c1ccc(cc1)S(C)(=O)=O InChI=1S/C22H18N4O2S2/c1-25-14-17(12-24-25)20-7-8-21(29-20)19-13-23-22-11-16(9-10-26(19)22)15-3-5-18(6-4-15)30(2,27)28/h3-14H,1-2H3 OAUINKGXYDIKQG-UHFFFAOYSA-N 50574097 CHEMBL4849272 Serine/threonine-protein kinase Nek2 >20000 ChEMBL 10.1016/j.ejmech.2021.113776 10.7270/Q2NZ8CFK 34479037 Zhang, L; Lakkaniga, NR; Bharate, JB; Mcconnell, N; Wang, X; Kharbanda, A; Leung, YK; Frett, B; Shah, NP; Li, HY University of Arkansas for Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574097 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574097&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 164614398 471064242 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51421195 CS(=O)(=O)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1ccc(s1)-c1ccc(F)cc1 InChI=1S/C24H17FN2O2S2/c1-31(28,29)20-8-4-16(5-9-20)18-12-13-27-21(15-26-24(27)14-18)23-11-10-22(30-23)17-2-6-19(25)7-3-17/h2-15H,1H3 UHUJWTIIQOQKPX-UHFFFAOYSA-N 50574098 CHEMBL4872048 Serine/threonine-protein kinase Nek2 >20000 ChEMBL 10.1016/j.ejmech.2021.113776 10.7270/Q2NZ8CFK 34479037 Zhang, L; Lakkaniga, NR; Bharate, JB; Mcconnell, N; Wang, X; Kharbanda, A; Leung, YK; Frett, B; Shah, NP; Li, HY University of Arkansas for Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574098 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574098&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 164623903 471064243 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51421196 CS(=O)(=O)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1ccc(s1)-c1ccccc1C(F)(F)F InChI=1S/C25H17F3N2O2S2/c1-34(31,32)18-8-6-16(7-9-18)17-12-13-30-21(15-29-24(30)14-17)23-11-10-22(33-23)19-4-2-3-5-20(19)25(26,27)28/h2-15H,1H3 MQZPSEBMVYGJRP-UHFFFAOYSA-N 50574099 CHEMBL4874305 Serine/threonine-protein kinase Nek2 >20000 ChEMBL 10.1016/j.ejmech.2021.113776 10.7270/Q2NZ8CFK 34479037 Zhang, L; Lakkaniga, NR; Bharate, JB; Mcconnell, N; Wang, X; Kharbanda, A; Leung, YK; Frett, B; Shah, NP; Li, HY University of Arkansas for Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574099&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 164625898 471064244 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51421197 CS(=O)(=O)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1ccc(s1)-c1ccncc1 InChI=1S/C23H17N3O2S2/c1-30(27,28)19-4-2-16(3-5-19)18-10-13-26-20(15-25-23(26)14-18)22-7-6-21(29-22)17-8-11-24-12-9-17/h2-15H,1H3 PSIIWAWNSLFTBC-UHFFFAOYSA-N 50574100 CHEMBL4855716 Serine/threonine-protein kinase Nek2 >20000 ChEMBL 10.1016/j.ejmech.2021.113776 10.7270/Q2NZ8CFK 34479037 Zhang, L; Lakkaniga, NR; Bharate, JB; Mcconnell, N; Wang, X; Kharbanda, A; Leung, YK; Frett, B; Shah, NP; Li, HY University of Arkansas for Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574100&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 164615194 471064245 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51421198 CS(=O)(=O)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1ccc(s1)-c1cccnc1 InChI=1S/C23H17N3O2S2/c1-30(27,28)19-6-4-16(5-7-19)17-10-12-26-20(15-25-23(26)13-17)22-9-8-21(29-22)18-3-2-11-24-14-18/h2-15H,1H3 YAHDNGVWTGJEGV-UHFFFAOYSA-N 50574101 CHEMBL4878572 Serine/threonine-protein kinase Nek2 >20000 ChEMBL 10.1016/j.ejmech.2021.113776 10.7270/Q2NZ8CFK 34479037 Zhang, L; Lakkaniga, NR; Bharate, JB; Mcconnell, N; Wang, X; Kharbanda, A; Leung, YK; Frett, B; Shah, NP; Li, HY University of Arkansas for Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574101&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 164626404 471064246 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51421199 CC(C)(C)c1ccc(cc1)-c1ccc(s1)-c1cnc2cc(ccn12)-c1ccc(cc1)S(C)(=O)=O InChI=1S/C28H26N2O2S2/c1-28(2,3)22-9-5-20(6-10-22)25-13-14-26(33-25)24-18-29-27-17-21(15-16-30(24)27)19-7-11-23(12-8-19)34(4,31)32/h5-18H,1-4H3 IRNBDYRDRCKGFN-UHFFFAOYSA-N 50574102 CHEMBL4867699 Serine/threonine-protein kinase Nek2 >20000 ChEMBL 10.1016/j.ejmech.2021.113776 10.7270/Q2NZ8CFK 34479037 Zhang, L; Lakkaniga, NR; Bharate, JB; Mcconnell, N; Wang, X; Kharbanda, A; Leung, YK; Frett, B; Shah, NP; Li, HY University of Arkansas for Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574102 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574102&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 164619717 471064247 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51421200 CS(=O)(=O)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1ccc(s1)-c1ccoc1 InChI=1S/C22H16N2O3S2/c1-29(25,26)18-4-2-15(3-5-18)16-8-10-24-19(13-23-22(24)12-16)21-7-6-20(28-21)17-9-11-27-14-17/h2-14H,1H3 RMDPUXONYMESOH-UHFFFAOYSA-N 50574103 CHEMBL4877108 Serine/threonine-protein kinase Nek2 >20000 ChEMBL 10.1016/j.ejmech.2021.113776 10.7270/Q2NZ8CFK 34479037 Zhang, L; Lakkaniga, NR; Bharate, JB; Mcconnell, N; Wang, X; Kharbanda, A; Leung, YK; Frett, B; Shah, NP; Li, HY University of Arkansas for Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574103 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574103&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 164628907 471064248 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51421201 Cn1cc(cn1)-c1ccc(s1)-c1cnc2ccc(cn12)-c1cnn(C)c1 InChI=1S/C19H16N6S/c1-23-10-14(7-21-23)13-3-6-19-20-9-16(25(19)12-13)18-5-4-17(26-18)15-8-22-24(2)11-15/h3-12H,1-2H3 CJFILTCTFHZJKU-UHFFFAOYSA-N 50574104 CHEMBL4878277 Serine/threonine-protein kinase Nek2 >20000 ChEMBL 10.1016/j.ejmech.2021.113776 10.7270/Q2NZ8CFK 34479037 Zhang, L; Lakkaniga, NR; Bharate, JB; Mcconnell, N; Wang, X; Kharbanda, A; Leung, YK; Frett, B; Shah, NP; Li, HY University of Arkansas for Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574104&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 164628749 471064249 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51421202 Cn1cc(cn1)-c1ccc2ncc(-c3ccc(s3)-c3ccc(F)cc3)n2c1 InChI=1S/C21H15FN4S/c1-25-12-16(10-24-25)15-4-9-21-23-11-18(26(21)13-15)20-8-7-19(27-20)14-2-5-17(22)6-3-14/h2-13H,1H3 JLZJMOGSNGOTPS-UHFFFAOYSA-N 50574105 CHEMBL4863364 Serine/threonine-protein kinase Nek2 >20000 ChEMBL 10.1016/j.ejmech.2021.113776 10.7270/Q2NZ8CFK 34479037 Zhang, L; Lakkaniga, NR; Bharate, JB; Mcconnell, N; Wang, X; Kharbanda, A; Leung, YK; Frett, B; Shah, NP; Li, HY University of Arkansas for Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574105&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 164622607 471064250 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51421203 Cn1cc(cn1)-c1ccc2ncc(-c3ccc(s3)-c3ccc(Cl)cc3)n2c1 InChI=1S/C21H15ClN4S/c1-25-12-16(10-24-25)15-4-9-21-23-11-18(26(21)13-15)20-8-7-19(27-20)14-2-5-17(22)6-3-14/h2-13H,1H3 QXZHRINOIMCXKR-UHFFFAOYSA-N 50574106 CHEMBL4873041 Serine/threonine-protein kinase Nek2 >20000 ChEMBL 10.1016/j.ejmech.2021.113776 10.7270/Q2NZ8CFK 34479037 Zhang, L; Lakkaniga, NR; Bharate, JB; Mcconnell, N; Wang, X; Kharbanda, A; Leung, YK; Frett, B; Shah, NP; Li, HY University of Arkansas for Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574106&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 164619923 471064251 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51421204 Cn1cc(cn1)-c1ccc2ncc(-c3ccc(s3)-c3ccoc3)n2c1 InChI=1S/C19H14N4OS/c1-22-10-15(8-21-22)13-2-5-19-20-9-16(23(19)11-13)18-4-3-17(25-18)14-6-7-24-12-14/h2-12H,1H3 WACKVOZPFGNXMT-UHFFFAOYSA-N 50574107 CHEMBL4857928 Serine/threonine-protein kinase Nek2 >20000 ChEMBL 10.1016/j.ejmech.2021.113776 10.7270/Q2NZ8CFK 34479037 Zhang, L; Lakkaniga, NR; Bharate, JB; Mcconnell, N; Wang, X; Kharbanda, A; Leung, YK; Frett, B; Shah, NP; Li, HY University of Arkansas for Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574107&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 164610903 471064252 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51421205 Cn1cc(cn1)-c1ccc(s1)-c1cnc2ccc(cn12)-c1ccc(cc1)S(C)(=O)=O InChI=1S/C22H18N4O2S2/c1-25-13-17(11-24-25)20-8-9-21(29-20)19-12-23-22-10-5-16(14-26(19)22)15-3-6-18(7-4-15)30(2,27)28/h3-14H,1-2H3 VZBFKQDEKONIOW-UHFFFAOYSA-N 50574108 CHEMBL4879086 Serine/threonine-protein kinase Nek2 >20000 ChEMBL 10.1016/j.ejmech.2021.113776 10.7270/Q2NZ8CFK 34479037 Zhang, L; Lakkaniga, NR; Bharate, JB; Mcconnell, N; Wang, X; Kharbanda, A; Leung, YK; Frett, B; Shah, NP; Li, HY University of Arkansas for Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574108 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574108&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 164626691 471064253 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51421206 CS(=O)(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(s3)-c3ccc(F)cc3)n2c1 InChI=1S/C24H17FN2O2S2/c1-31(28,29)20-9-4-16(5-10-20)18-6-13-24-26-14-21(27(24)15-18)23-12-11-22(30-23)17-2-7-19(25)8-3-17/h2-15H,1H3 CPZDGQKMNVXXNU-UHFFFAOYSA-N 50574109 CHEMBL4869856 Serine/threonine-protein kinase Nek2 >20000 ChEMBL 10.1016/j.ejmech.2021.113776 10.7270/Q2NZ8CFK 34479037 Zhang, L; Lakkaniga, NR; Bharate, JB; Mcconnell, N; Wang, X; Kharbanda, A; Leung, YK; Frett, B; Shah, NP; Li, HY University of Arkansas for Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574109 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574109&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 164625203 471064254 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51421207 CS(=O)(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(s3)-c3cccc(Cl)c3)n2c1 InChI=1S/C24H17ClN2O2S2/c1-31(28,29)20-8-5-16(6-9-20)18-7-12-24-26-14-21(27(24)15-18)23-11-10-22(30-23)17-3-2-4-19(25)13-17/h2-15H,1H3 ISFGPQBYGRIPKJ-UHFFFAOYSA-N 50574110 CHEMBL4859180 Serine/threonine-protein kinase Nek2 >20000 ChEMBL 10.1016/j.ejmech.2021.113776 10.7270/Q2NZ8CFK 34479037 Zhang, L; Lakkaniga, NR; Bharate, JB; Mcconnell, N; Wang, X; Kharbanda, A; Leung, YK; Frett, B; Shah, NP; Li, HY University of Arkansas for Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574110 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574110&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 164615963 471064255 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51421208 Fc1ccc(cc1)-c1ccc(s1)-c1cnc2ccccn12 InChI=1S/C17H11FN2S/c18-13-6-4-12(5-7-13)15-8-9-16(21-15)14-11-19-17-3-1-2-10-20(14)17/h1-11H AZRYPLGGZRABKC-UHFFFAOYSA-N 50574111 CHEMBL4852877 Serine/threonine-protein kinase Nek2 >20000 ChEMBL 10.1016/j.ejmech.2021.113776 10.7270/Q2NZ8CFK 34479037 Zhang, L; Lakkaniga, NR; Bharate, JB; Mcconnell, N; Wang, X; Kharbanda, A; Leung, YK; Frett, B; Shah, NP; Li, HY University of Arkansas for Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574111 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574111&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 164610117 471064256 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51421209 Cn1cc(cn1)-c1ccc(s1)-c1cnc2ccccn12 InChI=1S/C15H12N4S/c1-18-10-11(8-17-18)13-5-6-14(20-13)12-9-16-15-4-2-3-7-19(12)15/h2-10H,1H3 HJZHHMNPHFQCOC-UHFFFAOYSA-N 50574112 CHEMBL4846528 Serine/threonine-protein kinase Nek2 >20000 ChEMBL 10.1016/j.ejmech.2021.113776 10.7270/Q2NZ8CFK 34479037 Zhang, L; Lakkaniga, NR; Bharate, JB; Mcconnell, N; Wang, X; Kharbanda, A; Leung, YK; Frett, B; Shah, NP; Li, HY University of Arkansas for Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574112 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574112&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 164609449 471064257 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51421210 Cc1cccn2c(cnc12)-c1ccc(s1)-c1ccc(F)cc1 InChI=1S/C18H13FN2S/c1-12-3-2-10-21-15(11-20-18(12)21)17-9-8-16(22-17)13-4-6-14(19)7-5-13/h2-11H,1H3 TVHCULBWTMDICB-UHFFFAOYSA-N 50574113 CHEMBL4872616 Serine/threonine-protein kinase Nek2 >20000 ChEMBL 10.1016/j.ejmech.2021.113776 10.7270/Q2NZ8CFK 34479037 Zhang, L; Lakkaniga, NR; Bharate, JB; Mcconnell, N; Wang, X; Kharbanda, A; Leung, YK; Frett, B; Shah, NP; Li, HY University of Arkansas for Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574113 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574113&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 164623517 471064258 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51421211 Cc1cccn2c(cnc12)-c1ccc(s1)-c1cnn(C)c1 InChI=1S/C16H14N4S/c1-11-4-3-7-20-13(9-17-16(11)20)15-6-5-14(21-15)12-8-18-19(2)10-12/h3-10H,1-2H3 VPHHKPZQCBCAPX-UHFFFAOYSA-N 50574114 CHEMBL4857926 Serine/threonine-protein kinase Nek2 >20000 ChEMBL 10.1016/j.ejmech.2021.113776 10.7270/Q2NZ8CFK 34479037 Zhang, L; Lakkaniga, NR; Bharate, JB; Mcconnell, N; Wang, X; Kharbanda, A; Leung, YK; Frett, B; Shah, NP; Li, HY University of Arkansas for Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574114 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574114&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 164610901 471064259 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51450477 CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Nc2ccc(CC(=O)Nc3cccc(F)c3)cc2)n1 InChI=1S/C27H30FN9O/c1-18-14-24(35-34-18)31-23-17-25(37-12-10-36(2)11-13-37)33-27(32-23)30-21-8-6-19(7-9-21)15-26(38)29-22-5-3-4-20(28)16-22/h3-9,14,16-17H,10-13,15H2,1-2H3,(H,29,38)(H3,30,31,32,33,34,35) QJOKMKBZEMLHIM-UHFFFAOYSA-N 50585632 CHEMBL5070593 Serine/threonine-protein kinase Nek2 >200000 ChEMBL 10.1021/acs.jmedchem.1c01280 10.7270/Q24X5CPK 35081714 Zhang, L; Moccia, M; Briggs, DC; Bharate, JB; Lakkaniga, NR; Knowles, P; Yan, W; Tran, P; Kharbanda, A; Wang, X; Leung, YK; Frett, B; Santoro, M; McDonald, NQ; Carlomagno, F; Li, HY University of Arkansas for Medical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50585632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50585632&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 163322146 476021719 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51524268 COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30) NHHQJBCNYHBUSI-UHFFFAOYSA-N 60665 BDBM50249542::US9145414, R406::US9212178, R406 Serine/threonine-protein kinase Nek2 260 ChEMBL 10.7270/Q22V2MDF 30108900 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=60665 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=60665&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 585 3PIY 11213558 316921779 DB07159 ZINC13555629 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51524269 O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1 InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+ YYLKKYCXAOBSRM-JXMROGBWSA-N 50355496 CHEMBL1908397 Serine/threonine-protein kinase Nek2 5300 ChEMBL 10.7270/Q22V2MDF 30108900 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355496 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355496&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 11427553 136959520 CHEMBL1908397 ZINC43201999 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51524270 Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31) JOOXLOJCABQBSG-UHFFFAOYSA-N 50332294 CHEMBL1287853::N-tert-butyl-3-(5-methyl-2-(4-(2-(pyrrolidin-1-yl)ethoxy)phenylamino)pyrimidin-4-ylamino)benzenesulfonamide::US10112907, Example 00018::US10730860, TABLE 1.3::US10766894, Compound TABLE 1.3::US11203595, TABLE 1.3::US11384069, Example T-5 Serine/threonine-protein kinase Nek2 1700 ChEMBL 10.7270/Q22V2MDF 30108900 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50332294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50332294&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 2TA 4OGJ,4PS5,6VNE 16722836 123111409 CHEMBL1287853 5716 ZINC19862646 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51524271 CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26) VAARYSWULJUGST-UHFFFAOYSA-N 6568 6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfanyl)phenyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one::CHEMBL386051::PD-173955::PD173955::US11136333, Compound PD173955 Serine/threonine-protein kinase Nek2 110 ChEMBL 10.7270/Q22V2MDF 30108900 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=6568 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=6568&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search P17 1M52,5IA3 447077 8036145 49791 CHEMBL386051 DB02567 5699 ZINC02047743 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51524272 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F InChI=1S/C27H28F3N5O2S/c1-17(19-5-3-4-6-20(19)27(28,29)30)37-23-14-24(38-25(23)26(31)36)35-16-32-21-8-7-18(13-22(21)35)15-34-11-9-33(2)10-12-34/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H2,31,36)/t17-/m1/s1 ZHJGWYRLJUCMRT-QGZVFWFLSA-N 50355500 CHEMBL1908394::US9695172, GSK461364 Serine/threonine-protein kinase Nek2 260 ChEMBL 10.7270/Q22V2MDF 30108900 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355500 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355500&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 15983966 136959524 CHEMBL1908394 ZINC43154472 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51524273 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+ JWNPDZNEKVCWMY-VQHVLOKHSA-N 50161957 4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(pyridin-2-ylmethoxy)-phenylamino]-3-cyano-7-ethoxy-quinolin-6-yl}-amide::CHEMBL180022::HKI-272::N-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide::N-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide::NERATINIB::US10822334, Compound Neratinib::US11896597, Compound Neratinib::US20230382923, Compound Neratinib Serine/threonine-protein kinase Nek2 270 ChEMBL 10.7270/Q22V2MDF 30108900 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50161957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50161957&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 9915743 104048227 CHEMBL180022 5686 ZINC03916214 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51524274 COc1cccc(c1)C1=C(Nc2ccc(Cl)c(c2)C(O)=O)C(=O)NC1=O InChI=1S/C18H13ClN2O5/c1-26-11-4-2-3-9(7-11)14-15(17(23)21-16(14)22)20-10-5-6-13(19)12(8-10)18(24)25/h2-8H,1H3,(H,24,25)(H2,20,21,22,23) CKNBSSMNQGLXEA-UHFFFAOYSA-N 8270 2-chloro-5-{[4-(3-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoic acid::4-arylmaleimide deriv. 6aa::D3RKN_35 Serine/threonine-protein kinase Nek2 460 ChEMBL 10.7270/Q22V2MDF 30108900 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=8270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=8270&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 6539501 11109023 ZINC14946025 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51524275 CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28) GPXBXXGIAQBQNI-UHFFFAOYSA-N 50396483 PLX-4032::RG 7204::Ro 5185426::US10570155, Vemurafenib::US11332479, Compound Vemurafenib::US11492357, Control::US9388165, Reference, Vemurafenib (PLX-4032)::USRE47451, PLX-4032, Roche::VEMURAFENIB Serine/threonine-protein kinase Nek2 5000 ChEMBL 10.7270/Q22V2MDF 30108900 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50396483 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50396483&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 032 3OG7,5HES,4RZV 42611257 163345507 63637 DB08881 ZINC52509366 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51524316 CN(C)CCCNC(=O)Cc1cccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)c1 InChI=1S/C25H35N7O2/c1-32(2)13-7-12-26-21(33)15-19-10-6-11-20(14-19)29-25-30-23-22(27-17-28-23)24(31-25)34-16-18-8-4-3-5-9-18/h6,10-11,14,17-18H,3-5,7-9,12-13,15-16H2,1-2H3,(H,26,33)(H2,27,28,29,30,31) RDAXOPGNTONHMU-UHFFFAOYSA-N 50613382 CHEMBL5283398 Serine/threonine-protein kinase Nek2 280 ChEMBL 10.7270/Q22V2MDF 30108900 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50613382 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50613382&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 171347679 494503130 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51524317 Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34) WPHKIQPVPYJNAX-UHFFFAOYSA-N 50381716 ABT-348::ILORASERTIB::US8722890, 1::US8722890, 2 Serine/threonine-protein kinase Nek2 13 ChEMBL 10.7270/Q22V2MDF 30108900 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50381716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50381716&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 46207586 160860799 ZINC63298074 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51524318 Cc1cc2cc(ccc2[nH]1)-c1csc2c(cnc(N)c12)-c1cccc(c1)S(C)(=O)=O InChI=1S/C23H19N3O2S2/c1-13-8-16-9-15(6-7-20(16)26-13)19-12-29-22-18(11-25-23(24)21(19)22)14-4-3-5-17(10-14)30(2,27)28/h3-12,26H,1-2H3,(H2,24,25) YDWMUCKJUNLURC-UHFFFAOYSA-N 50613378 CHEMBL1997822 Serine/threonine-protein kinase Nek2 40 ChEMBL 10.7270/Q22V2MDF 30108900 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50613378 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50613378&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 18450667 494503126 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51524319 C[C@H](O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1 InChI=1S/C27H26N6O2S/c1-16-4-3-5-21(10-16)32-27(35)31-20-8-6-18(7-9-20)23-15-36-25-22(12-29-26(28)24(23)25)19-11-30-33(14-19)13-17(2)34/h3-12,14-15,17,34H,13H2,1-2H3,(H2,28,29)(H2,31,32,35)/t17-/m0/s1 VKBFHTIUXUCYRQ-KRWDZBQOSA-N 121388 US8722890, 3 Serine/threonine-protein kinase Nek2 50 ChEMBL 10.7270/Q22V2MDF 30108900 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=121388 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=121388&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 68620328 225147820 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51524320 O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1 InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37) XKZQZMSAWVDRSP-UHFFFAOYSA-N 50315888 CHEMBL1090360::N-(3-(5-(2-(3-morpholinophenylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)-2-phenylacetamide Serine/threonine-protein kinase Nek2 310 ChEMBL 10.7270/Q22V2MDF 30108900 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315888&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 46886323 104150249 CHEMBL1090360 ZINC49793657 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51524322 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+ JWNPDZNEKVCWMY-VQHVLOKHSA-N 50161957 4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(pyridin-2-ylmethoxy)-phenylamino]-3-cyano-7-ethoxy-quinolin-6-yl}-amide::CHEMBL180022::HKI-272::N-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide::N-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide::NERATINIB::US10822334, Compound Neratinib::US11896597, Compound Neratinib::US20230382923, Compound Neratinib Serine/threonine-protein kinase Nek2 274 ChEMBL 10.7270/Q22V2MDF 30108900 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50161957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50161957&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 9915743 104048227 CHEMBL180022 5686 ZINC03916214 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51527927 CS(=O)(=O)N1CCC2(CC1)NC(=O)C(=N2)c1ccc(Br)cc1 InChI=1S/C14H16BrN3O3S/c1-22(20,21)18-8-6-14(7-9-18)16-12(13(19)17-14)10-2-4-11(15)5-3-10/h2-5H,6-9H2,1H3,(H,17,19) PTJHYSBTEDYVLZ-UHFFFAOYSA-N 50614762 CHEMBL5285754 Serine/threonine-protein kinase Nek2 2400 ChEMBL 10.7270/Q25143JF 37094724 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50614762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50614762&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 53029828 494504510 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51527928 CC(C)(C)c1ccc(cc1)C1=NC2(CCN(CC2)S(C)(=O)=O)NC1=O InChI=1S/C18H25N3O3S/c1-17(2,3)14-7-5-13(6-8-14)15-16(22)20-18(19-15)9-11-21(12-10-18)25(4,23)24/h5-8H,9-12H2,1-4H3,(H,20,22) KQBSVBOGIVAFPV-UHFFFAOYSA-N 50614763 CHEMBL5272823 Serine/threonine-protein kinase Nek2 8700 ChEMBL 10.7270/Q25143JF 37094724 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50614763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50614763&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 53043389 494504511 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51527929 Cc1ccc(cc1)C1=NC2(CCN(CC2)S(C)(=O)=O)NC1=O InChI=1S/C15H19N3O3S/c1-11-3-5-12(6-4-11)13-14(19)17-15(16-13)7-9-18(10-8-15)22(2,20)21/h3-6H,7-10H2,1-2H3,(H,17,19) LNGYMRIIRWWFDF-UHFFFAOYSA-N 50614764 CHEMBL5280930 Serine/threonine-protein kinase Nek2 4900 ChEMBL 10.7270/Q25143JF 37094724 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50614764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50614764&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 53029713 494504512 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51527930 Cc1ccc(cc1C)C1=NC2(CCN(CC2)S(C)(=O)=O)NC1=O InChI=1S/C16H21N3O3S/c1-11-4-5-13(10-12(11)2)14-15(20)18-16(17-14)6-8-19(9-7-16)23(3,21)22/h4-5,10H,6-9H2,1-3H3,(H,18,20) QAZNHPXJTDSWSO-UHFFFAOYSA-N 50614765 CHEMBL5270008 Serine/threonine-protein kinase Nek2 3200 ChEMBL 10.7270/Q25143JF 37094724 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50614765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50614765&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 53088075 494504513 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51527931 Brc1ccc(cc1)C1=NC2(CCN(CC2)S(=O)(=O)Cc2ccccc2)NC1=O InChI=1S/C20H20BrN3O3S/c21-17-8-6-16(7-9-17)18-19(25)23-20(22-18)10-12-24(13-11-20)28(26,27)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,23,25) PYOPNNNPMJIIQA-UHFFFAOYSA-N 50614766 CHEMBL5278742 Serine/threonine-protein kinase Nek2 6800 ChEMBL 10.7270/Q25143JF 37094724 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50614766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50614766&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 53029829 494504514 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51527932 Brc1ccc(cc1)C1=NC2(CCN(CC2)S(=O)(=O)c2cccs2)NC1=O InChI=1S/C17H16BrN3O3S2/c18-13-5-3-12(4-6-13)15-16(22)20-17(19-15)7-9-21(10-8-17)26(23,24)14-2-1-11-25-14/h1-6,11H,7-10H2,(H,20,22) PKTKWUSSPPWFQU-UHFFFAOYSA-N 50614767 CHEMBL5282303 Serine/threonine-protein kinase Nek2 5600 ChEMBL 10.7270/Q25143JF 37094724 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50614767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50614767&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 53029910 494504515 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51527933 Brc1ccc(cc1)C1=NC2(CCN(CC2)S(=O)(=O)c2ccccc2)NC1=O InChI=1S/C19H18BrN3O3S/c20-15-8-6-14(7-9-15)17-18(24)22-19(21-17)10-12-23(13-11-19)27(25,26)16-4-2-1-3-5-16/h1-9H,10-13H2,(H,22,24) RYMXZGZXOABCOY-UHFFFAOYSA-N 50614768 CHEMBL5284785 Serine/threonine-protein kinase Nek2 9300 ChEMBL 10.7270/Q25143JF 37094724 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50614768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50614768&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 53029830 494504516 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51527934 Clc1ccc(cc1)C1=NC2(CCN(CC2)S(=O)(=O)c2ccccc2)NC1=O InChI=1S/C19H18ClN3O3S/c20-15-8-6-14(7-9-15)17-18(24)22-19(21-17)10-12-23(13-11-19)27(25,26)16-4-2-1-3-5-16/h1-9H,10-13H2,(H,22,24) KEJPKEOKYWYTSN-UHFFFAOYSA-N 50614769 CHEMBL5290617 Serine/threonine-protein kinase Nek2 6000 ChEMBL 10.7270/Q25143JF 37094724 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50614769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50614769&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 53029724 494504517 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51527935 Fc1ccc(cc1)C1=NC2(CCN(CC2)S(=O)(=O)c2ccccc2)NC1=O InChI=1S/C19H18FN3O3S/c20-15-8-6-14(7-9-15)17-18(24)22-19(21-17)10-12-23(13-11-19)27(25,26)16-4-2-1-3-5-16/h1-9H,10-13H2,(H,22,24) JODVCLPEVQGBTH-UHFFFAOYSA-N 50614770 CHEMBL5290689 Serine/threonine-protein kinase Nek2 4500 ChEMBL 10.7270/Q25143JF 37094724 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50614770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50614770&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 53029722 494504518 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51527936 O=C1NC2(CCN(CC2)S(=O)(=O)c2ccccc2)N=C1c1ccccc1 InChI=1S/C19H19N3O3S/c23-18-17(15-7-3-1-4-8-15)20-19(21-18)11-13-22(14-12-19)26(24,25)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,21,23) OIUINGUEVPETFB-UHFFFAOYSA-N 50614771 CHEMBL4928446 Serine/threonine-protein kinase Nek2 8100 ChEMBL 10.7270/Q25143JF 37094724 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50614771 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50614771&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 53029720 494504519 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51527937 Brc1ccc(cc1)C1=NC2(CCN(CC2)C(=O)c2ccccc2)NC1=O InChI=1S/C20H18BrN3O2/c21-16-8-6-14(7-9-16)17-18(25)23-20(22-17)10-12-24(13-11-20)19(26)15-4-2-1-3-5-15/h1-9H,10-13H2,(H,23,25) RBOPPFXFXGEDNN-UHFFFAOYSA-N 50614772 CHEMBL5291040 Serine/threonine-protein kinase Nek2 9200 ChEMBL 10.7270/Q25143JF 37094724 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50614772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50614772&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 22577435 494504520 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51527938 CCOC(=O)c1ccc(cc1)S(=O)(=O)N1CCC2(CC1)NC(=O)C(=N2)c1ccc(Br)cc1 InChI=1S/C22H22BrN3O5S/c1-2-31-21(28)16-5-9-18(10-6-16)32(29,30)26-13-11-22(12-14-26)24-19(20(27)25-22)15-3-7-17(23)8-4-15/h3-10H,2,11-14H2,1H3,(H,25,27) ODJBFBRQPGMUFB-UHFFFAOYSA-N 50614773 CHEMBL5281716 Serine/threonine-protein kinase Nek2 14600 ChEMBL 10.7270/Q25143JF 37094724 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50614773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50614773&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 53029898 494504521 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51527939 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2(CC1)NC(=O)C(=N2)c1ccc(Br)cc1 InChI=1S/C23H26BrN3O3S/c1-22(2,3)17-6-10-19(11-7-17)31(29,30)27-14-12-23(13-15-27)25-20(21(28)26-23)16-4-8-18(24)9-5-16/h4-11H,12-15H2,1-3H3,(H,26,28) INBLOVOLXLHRRK-UHFFFAOYSA-N 50614774 CHEMBL5273722 Serine/threonine-protein kinase Nek2 5000 ChEMBL 10.7270/Q25143JF 37094724 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50614774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50614774&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 53029835 494504522 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51527940 Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC2(CC1)NC(=O)C(=N2)c1ccc(Br)cc1 InChI=1S/C22H24BrN3O3S/c1-14-12-15(2)20(16(3)13-14)30(28,29)26-10-8-22(9-11-26)24-19(21(27)25-22)17-4-6-18(23)7-5-17/h4-7,12-13H,8-11H2,1-3H3,(H,25,27) FEWPCIOEDOXXRX-UHFFFAOYSA-N 50614775 CHEMBL5273945 Serine/threonine-protein kinase Nek2 9800 ChEMBL 10.7270/Q25143JF 37094724 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50614775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50614775&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 53029834 494504523 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51527941 Cc1ccc(cc1C)S(=O)(=O)N1CCC2(CC1)NC(=O)C(=N2)c1ccc(Br)cc1 InChI=1S/C21H22BrN3O3S/c1-14-3-8-18(13-15(14)2)29(27,28)25-11-9-21(10-12-25)23-19(20(26)24-21)16-4-6-17(22)7-5-16/h3-8,13H,9-12H2,1-2H3,(H,24,26) ARHKZYSUZJDCCB-UHFFFAOYSA-N 50614776 CHEMBL5270200 Serine/threonine-protein kinase Nek2 12300 ChEMBL 10.7270/Q25143JF 37094724 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50614776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50614776&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 53029833 494504524 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51527942 CS(=O)(=O)N1CCC2(CC1)NCC(=O)N2 InChI=1S/C8H15N3O3S/c1-15(13,14)11-4-2-8(3-5-11)9-6-7(12)10-8/h9H,2-6H2,1H3,(H,10,12) DCIXOMUQOQJEHM-UHFFFAOYSA-N 50614777 CHEMBL5273959 Serine/threonine-protein kinase Nek2 32100 ChEMBL 10.7270/Q25143JF 37094724 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50614777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50614777&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 171352815 494504525 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51527943 O=C1CNC2(CCNCC2)N1 InChI=1S/C7H13N3O/c11-6-5-9-7(10-6)1-3-8-4-2-7/h8-9H,1-5H2,(H,10,11) HFPLVVCVTUVAPK-UHFFFAOYSA-N 50614778 CHEMBL5279826 Serine/threonine-protein kinase Nek2 32500 ChEMBL 10.7270/Q25143JF 37094724 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50614778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50614778&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 23158969 494504526 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51527944 CN1CCC2(CC1)NCC(=O)N2 InChI=1S/C8H15N3O/c1-11-4-2-8(3-5-11)9-6-7(12)10-8/h9H,2-6H2,1H3,(H,10,12) ZMKQRLVKHKHVOL-UHFFFAOYSA-N 50614779 CHEMBL5273685 Serine/threonine-protein kinase Nek2 58100 ChEMBL 10.7270/Q25143JF 37094724 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50614779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50614779&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 58245157 494504527 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9 51527945 CS(=O)(=O)N1CCC2(CC1)NC(=O)C(=N2)c1ccc(Br)cc1 InChI=1S/C14H16BrN3O3S/c1-22(20,21)18-8-6-14(7-9-18)16-12(13(19)17-14)10-2-4-11(15)5-3-10/h2-5H,6-9H2,1H3,(H,17,19) PTJHYSBTEDYVLZ-UHFFFAOYSA-N 50614762 CHEMBL5285754 Serine/threonine-protein kinase Nek2 17100 ChEMBL 10.7270/Q25143JF 37094724 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50614762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10249&target=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50614762&enzyme=Serine%2Fthreonine-protein+kinase+Nek2&column=ki&startPg=0&Increment=50&submit=Search 53029828 494504510 1 MPSRAEDYEVLYTIGTGSYGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRSDGGHTVLHRDLKPANVFLDGKQNVKLGDFGLARILNHDTSFAKTFVGTPYYMSPEQMNRMSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLIADLVADEQRRNLERRGRQLGEPEKSQDSSPVLSELKLKEIQLQERERALKAREERLEQKEQELCVRERLAEDKLARAENLLKNYSLLKERKFLSLASNPELLNLPSSVIKKKVHFSGESKENIMRSENSESQLTSKSKCKDLKKRLHAAQLRAQALSDIEKNYQLKSRQILGMR 2W5A,2WQO,2XK3,2XK4,2XK6,2XK7,2XK8,2XKC,2XKD,2XKE,2XKF,2XNM,2XNN,2XNO,2XNP,4AFE,5M51,5M55,6SGD,6SGH,6SGI,6SGK,6SK9,6TM5 Serine/threonine-protein kinase Nek2 NEK2_HUMAN P51955 Q53FD6 Q5I1Z9 Q5VXZ1 Q6NZX8 Q7Z634 Q86XH2 Q96QN9