| Reaction Details |
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 | Report a problem with these data |
| Target | Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 |
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| Ligand | BDBM50187111 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2059731 (CHEMBL4714732) |
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| IC50 | 30±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 |
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| Synonyms: | Mitogen-activated protein kinase kinase kinase 7 interacting protein 1 | TAK1-TAB1 | TAK1/TAB1 |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of EBI is 739577 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 54633.89 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q15750 |
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| Residue: | 504 |
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| Sequence: | MAAQRRSLLQSEQQPSWTDDLPLCHLSGVGSASNRSYSADGKGTESHPPEDSWLKFRSEN
NCFLYGVFNGYDGNRVTNFVAQRLSAELLLGQLNAEHAEADVRRVLLQAFDVVERSFLES
IDDALAEKASLQSQLPEGVPQHQLPPQYQKILERLKTLEREISGGAMAVVAVLLNNKLYV
ANVGTNRALLCKSTVDGLQVTQLNVDHTTENEDELFRLSQLGLDAGKIKQVGIICGQEST
RRIGDYKVKYGYTDIDLLSAAKSKPIIAEPEIHGAQPLDGVTGFLVLMSEGLYKALEAAH
GPGQANQEIAAMIDTEFAKQTSLDAVAQAVVDRVKRIHSDTFASGGERARFCPRHEDMTL
LVRNFGYPLGEMSQPTPSPAPAAGGRVYPVSVPYSSAQSTSKTSVTLSLVMPSQGQMVNG
AHSASTLDEATPTLTNQSPTLTLQSTNTHTQSSSSSSDGGLFRSRPAHSLPPGEDGRVEP
YVDFAEFYRLWSVDHGEQSVVTAP
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| Component 2 |
| Name: | Mitogen-activated protein kinase kinase kinase 7 |
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| 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) |
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| Type: | Protein |
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| Mol. Mass.: | 67199.89 |
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| Organism: | Homo sapiens (Human) |
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| Description: | O43318 |
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| Residue: | 606 |
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| Sequence: | MSTASAASSSSSSSAGEMIEAPSQVLNFEEIDYKEIEVEEVVGRGAFGVVCKAKWRAKDV
AIKQIESESERKAFIVELRQLSRVNHPNIVKLYGACLNPVCLVMEYAEGGSLYNVLHGAE
PLPYYTAAHAMSWCLQCSQGVAYLHSMQPKALIHRDLKPPNLLLVAGGTVLKICDFGTAC
DIQTHMTNNKGSAAWMAPEVFEGSNYSEKCDVFSWGIILWEVITRRKPFDEIGGPAFRIM
WAVHNGTRPPLIKNLPKPIESLMTRCWSKDPSQRPSMEEIVKIMTHLMRYFPGADEPLQY
PCQYSDEGQSNSATSTGSFMDIASTNTSNKSDTNMEQVPATNDTIKRLESKLLKNQAKQQ
SESGRLSLGASRGSSVESLPPTSEGKRMSADMSEIEARIAATTAYSKPKRGHRKTASFGN
ILDVPEIVISGNGQPRRRSIQDLTVTGTEPGQVSSRSSSPSVRMITTSGPTSEKPTRSHP
WTPDDSTDTNGSDNSIPMAYLTLDHQLQPLAPCPNSKESMAVFEQHCKMAQEYMKVQTEI
ALLLQRKQELVAELDQDEKDQQNTSRLVQEHKKLLDENKSLSTYYQQCKKQLEVIRSQQQ
KRQGTS
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| BDBM50187111 |
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| n/a |
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| Name | BDBM50187111 |
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| Synonyms: | CHEMBL3823738 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H25N5O4S |
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| Mol. Mass. | 455.53 |
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| SMILES | CC(C)Oc1c(NC(=O)c2csc3c2nc[nH]c3=O)cccc1C(=O)N1CCN(C)CC1 |
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| Structure | 
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