Reaction Details |
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Target | Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3 |
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Ligand | BDBM50329427 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_674036 (CHEMBL1274133) |
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IC50 | 3100±n/a nM |
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Citation | Menichincheri, M; Albanese, C; Alli, C; Ballinari, D; Bargiotti, A; Caldarelli, M; Ciavolella, A; Cirla, A; Colombo, M; Colotta, F; Croci, V; D'Alessio, R; D'Anello, M; Ermoli, A; Fiorentini, F; Forte, B; Galvani, A; Giordano, P; Isacchi, A; Martina, K; Molinari, A; Moll, JK; Montagnoli, A; Orsini, P; Orzi, F; Pesenti, E; Pillan, A; Roletto, F; Scolaro, A; Tatò, M; Tibolla, M; Valsasina, B; Varasi, M; Vianello, P; Volpi, D; Santocanale, C; Vanotti, E Cdc7 kinase inhibitors: 5-heteroaryl-3-carboxamido-2-aryl pyrroles as potential antitumor agents. 1. Lead finding. J Med Chem53:7296-315 (2010) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3 |
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Name: | Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3 |
Synonyms: | Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3 | Cyclin-dependent kinase 1/G2/mitotic-specific cyclin B1/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3 | Cyclin-dependent kinase 1/cyclin B |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of EBI is 40085 |
Components: | This complex has 4 components. |
Component 1 |
Name: | G2/mitotic-specific cyclin-B3 |
Synonyms: | CCNB3 | CCNB3_HUMAN | CYCB3 | Cyclin-dependent kinase 1/cyclin B | G2/mitotic-specific cyclin-B3 |
Type: | PROTEIN |
Mol. Mass.: | 157916.84 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 1395 |
Sequence: | MLLPLPPQSSKPVPKKSQSSKIVPSHHDPSEKTGENCQTKISPSSLQESPSSLQGALKKR
SAFEDLTNASQCQPVQPKKEANKEFVKVVSKKINRNTHALGLAKKNKRNLKWHKLEVTPV
VASTTVVPNIMEKPLILDISTTSKTPNTEEASLFRKPLVLKEEPTIEDETLINKSLSLKK
CSNHEEVSLLEKLQPLQEESDSDDAFVIEPMTFKKTHKTEEAAITKKTLSLKKKMCASQR
KQSCQEESLAVQDVNMEEDSFFMESMSFKKKPKTEESIPTHKLSSLKKKCTIYGKICHFR
KPPVLQTTICGAMSSIKKPTTEKETLFQELSVLQEKHTTEHEMSILKKSLALQKTNFKED
SLVKESLAFKKKPSTEEAIMMPVILKEQCMTEGKRSRLKPLVLQEITSGEKSLIMKPLSI
KEKPSTEKESFSQEPSALQKKHTTQEEVSILKEPSSLLKSPTEESPFDEALAFTKKCTIE
EAPPTKKPLILKRKHATQGTMSHLKKPLILQTTSGEKSLIKEPLPFKEEKVSLKKKCTTQ
EMMSICPELLDFQDMIGEDKNSFFMEPMSFRKNPTTEETVLTKTSLSLQEKKITQGKMSH
LKKPLVLQKITSEEESFYKKLLPFKMKSTTEEKFLSQEPSALKEKHTTLQEVSLSKESLA
IQEKATTEEEFSQELFSLHVKHTNKSGSLFQEALVLQEKTDAEEDSLKNLLALQEKSTME
EESLINKLLALKEELSAEAATNIQTQLSLKKKSTSHGKVFFLKKQLALNETINEEEFLNK
QPLALEGYPSIAEGETLFKKLLAMQEEPSIEKEAVLKEPTIDTEAHFKEPLALQEEPSTE
KEAVLKEPSVDTEAHFKETLALQEKPSIEQEALFKRHSALWEKPSTEKETIFKESLDLQE
KPSIKKETLLKKPLALKMSTINEAVLFEDMIALNEKPTTGKELSFKEPLALQESPTYKED
TFLKTLLVPQVGTSPNVSSTAPESITSKSSIATMTSVGKSGTINEAFLFEDMITLNEKPT
TGKELSFKEPLALQESPTCKEDTFLETFLIPQIGTSPYVFSTTPESITEKSSIATMTSVG
KSRTTTESSACESASDKPVSPQAKGTPKEITPREDIDEDSSDPSFNPMYAKEIFSYMKER
EEQFILTDYMNRQIEITSDMRAILVDWLVEVQVSFEMTHETLYLAVKLVDLYLMKAVCKK
DKLQLLGATAFMIAAKFEEHNSPRVDDFVYICDDNYQRSEVLSMEINILNVLKCDINIPI
AYHFLRRYARCIHTNMKTLTLSRYICEMTLQEYHYVQEKASKLAAASLLLALYMKKLGYW
VPFLEHYSGYSISELHPLVRQLNKLLTFSSYDSLKAVYYKYSHPVFFEVAKIPALDMLKL
EEILNCDCEAQGLVL
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Component 2 |
Name: | G2/mitotic-specific cyclin-B1 |
Synonyms: | CCNB | CCNB1 | CCNB1_HUMAN |
Type: | Enzyme Subunit |
Mol. Mass.: | 48340.95 |
Organism: | Homo sapiens (Human) |
Description: | P14635 |
Residue: | 433 |
Sequence: | MALRVTRNSKINAENKAKINMAGAKRVPTAPAATSKPGLRPRTALGDIGNKVSEQLQAKM
PMKKEAKPSATGKVIDKKLPKPLEKVPMLVPVPVSEPVPEPEPEPEPEPVKEEKLSPEPI
LVDTASPSPMETSGCAPAEEDLCQAFSDVILAVNDVDAEDGADPNLCSEYVKDIYAYLRQ
LEEEQAVRPKYLLGREVTGNMRAILIDWLVQVQMKFRLLQETMYMTVSIIDRFMQNNCVP
KKMLQLVGVTAMFIASKYEEMYPPEIGDFAFVTDNTYTKHQIRQMEMKILRALNFGLGRP
LPLHFLRRASKIGEVDVEQHTLAKYLMELTMLDYDMVHFPPSQIAAGAFCLALKILDNGE
WTPTLQHYLSYTEESLLPVMQHLAKNVVMVNQGLTKHMTVKNKYATSKHAKISTLPQLNS
ALVQDLAKAVAKV
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Component 3 |
Name: | G2/mitotic-specific cyclin-B2 |
Synonyms: | CCNB2 | CCNB2_HUMAN | Cyclin-dependent kinase 1/cyclin B | G2/mitotic-specific cyclin-B2 |
Type: | PROTEIN |
Mol. Mass.: | 45293.13 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 398 |
Sequence: | MALLRRPTVSSDLENIDTGVNSKVKSHVTIRRTVLEEIGNRVTTRAAQVAKKAQNTKVPV
QPTKTTNVNKQLKPTASVKPVQMEKLAPKGPSPTPEDVSMKEENLCQAFSDALLCKIEDI
DNEDWENPQLCSDYVKDIYQYLRQLEVLQSINPHFLDGRDINGRMRAILVDWLVQVHSKF
RLLQETLYMCVGIMDRFLQVQPVSRKKLQLVGITALLLASKYEEMFSPNIEDFVYITDNA
YTSSQIREMETLILKELKFELGRPLPLHFLRRASKAGEVDVEQHTLAKYLMELTLIDYDM
VHYHPSKVAAAASCLSQKVLGQGKWNLKQQYYTGYTENEVLEVMQHMAKNVVKVNENLTK
FIAIKNKYASSKLLKISMIPQLNSKAVKDLASPLIGRS
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Component 4 |
Name: | Cyclin-dependent kinase 1 |
Synonyms: | CDC2 | CDC28A | CDK1 | CDK1_HUMAN | CDKN1 | Cell division control protein 2 homolog | Cell division protein kinase 1 | Cyclin-dependent kinase 1 (CDK1) | P34CDC2 | p34 protein kinase |
Type: | Enzyme Subunit |
Mol. Mass.: | 34101.08 |
Organism: | Homo sapiens (Human) |
Description: | P06493 |
Residue: | 297 |
Sequence: | MEDYTKIEKIGEGTYGVVYKGRHKTTGQVVAMKKIRLESEEEGVPSTAIREISLLKELRH
PNIVSLQDVLMQDSRLYLIFEFLSMDLKKYLDSIPPGQYMDSSLVKSYLYQILQGIVFCH
SRRVLHRDLKPQNLLIDDKGTIKLADFGLARAFGIPIRVYTHEVVTLWYRSPEVLLGSAR
YSTPVDIWSIGTIFAELATKKPLFHGDSEIDQLFRIFRALGTPNNEVWPEVESLQDYKNT
FPKWKPGSLASHVKNLDENGLDLLSKMLIYDPAKRISGKMALNHPYFNDLDNQIKKM
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BDBM50329427 |
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n/a |
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Name | BDBM50329427 |
Synonyms: | 5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide | CHEMBL1270230 | US9670191, U1 |
Type | Small organic molecule |
Emp. Form. | C15H13N5O |
Mol. Mass. | 279.2966 |
SMILES | NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1 |
Structure |
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