Reaction Details |
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Target | Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 |
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Ligand | BDBM50557638 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2059731 (CHEMBL4714732) |
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IC50 | >10000±n/a nM |
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Citation | Veerman, JJN; Bruseker, YB; Damen, E; Heijne, EH; van Bruggen, W; Hekking, KFW; Winkel, R; Hupp, CD; Keefe, AD; Liu, J; Thomson, HA; Zhang, Y; Cuozzo, JW; McRiner, AJ; Mulvihill, MJ; van Rijnsbergen, P; Zech, B; Renzetti, LM; Babiss, L; Müller, G Discovery of 2,4-1 ACS Med Chem Lett12:555-562 (2021) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 |
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Name: | Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 |
Synonyms: | Mitogen-activated protein kinase kinase kinase 7 interacting protein 1 | TAK1-TAB1 | TAK1/TAB1 |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of EBI is 739577 |
Components: | This complex has 2 components. |
Component 1 |
Name: | TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 |
Synonyms: | MAP3K7IP1 | Mitogen-activated protein kinase kinase kinase 7-interacting protein 1 | TAB1 | TAB1_HUMAN | TAK1-binding protein 1 | TGF-beta-activated kinase 1-binding protein1 |
Type: | Enzyme |
Mol. Mass.: | 54633.89 |
Organism: | Homo sapiens (Human) |
Description: | Q15750 |
Residue: | 504 |
Sequence: | MAAQRRSLLQSEQQPSWTDDLPLCHLSGVGSASNRSYSADGKGTESHPPEDSWLKFRSEN
NCFLYGVFNGYDGNRVTNFVAQRLSAELLLGQLNAEHAEADVRRVLLQAFDVVERSFLES
IDDALAEKASLQSQLPEGVPQHQLPPQYQKILERLKTLEREISGGAMAVVAVLLNNKLYV
ANVGTNRALLCKSTVDGLQVTQLNVDHTTENEDELFRLSQLGLDAGKIKQVGIICGQEST
RRIGDYKVKYGYTDIDLLSAAKSKPIIAEPEIHGAQPLDGVTGFLVLMSEGLYKALEAAH
GPGQANQEIAAMIDTEFAKQTSLDAVAQAVVDRVKRIHSDTFASGGERARFCPRHEDMTL
LVRNFGYPLGEMSQPTPSPAPAAGGRVYPVSVPYSSAQSTSKTSVTLSLVMPSQGQMVNG
AHSASTLDEATPTLTNQSPTLTLQSTNTHTQSSSSSSDGGLFRSRPAHSLPPGEDGRVEP
YVDFAEFYRLWSVDHGEQSVVTAP
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Component 2 |
Name: | Mitogen-activated protein kinase kinase kinase 7 |
Synonyms: | M3K7_HUMAN | MAP3K7 | Mitogen-activated protein kinase kinase kinase 7 | TAK1 | TAK1/TAB1 | TGF-beta-activated kinase 1 | Transforming growth factor-beta-activated kinase 1 (TAK1) |
Type: | Protein |
Mol. Mass.: | 67199.89 |
Organism: | Homo sapiens (Human) |
Description: | O43318 |
Residue: | 606 |
Sequence: | MSTASAASSSSSSSAGEMIEAPSQVLNFEEIDYKEIEVEEVVGRGAFGVVCKAKWRAKDV
AIKQIESESERKAFIVELRQLSRVNHPNIVKLYGACLNPVCLVMEYAEGGSLYNVLHGAE
PLPYYTAAHAMSWCLQCSQGVAYLHSMQPKALIHRDLKPPNLLLVAGGTVLKICDFGTAC
DIQTHMTNNKGSAAWMAPEVFEGSNYSEKCDVFSWGIILWEVITRRKPFDEIGGPAFRIM
WAVHNGTRPPLIKNLPKPIESLMTRCWSKDPSQRPSMEEIVKIMTHLMRYFPGADEPLQY
PCQYSDEGQSNSATSTGSFMDIASTNTSNKSDTNMEQVPATNDTIKRLESKLLKNQAKQQ
SESGRLSLGASRGSSVESLPPTSEGKRMSADMSEIEARIAATTAYSKPKRGHRKTASFGN
ILDVPEIVISGNGQPRRRSIQDLTVTGTEPGQVSSRSSSPSVRMITTSGPTSEKPTRSHP
WTPDDSTDTNGSDNSIPMAYLTLDHQLQPLAPCPNSKESMAVFEQHCKMAQEYMKVQTEI
ALLLQRKQELVAELDQDEKDQQNTSRLVQEHKKLLDENKSLSTYYQQCKKQLEVIRSQQQ
KRQGTS
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BDBM50557638 |
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n/a |
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Name | BDBM50557638 |
Synonyms: | CHEMBL4746405 |
Type | Small organic molecule |
Emp. Form. | C20H22F3N5O4 |
Mol. Mass. | 453.415 |
SMILES | CNC(=O)CN(Cc1c(F)cccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1CCCC1 |
Structure |
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