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Target
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
Ligand
BDBM50529792
Substrate
n/a
Meas. Tech.
ChEMBL_1910044 (CHEMBL4412490)
IC50
41±n/a nM
Citation
 Kang, SJ; Lee, JW; Chung, SH; Jang, SY; Choi, J; Suh, KH; Kim, YH; Ham, YJ; Min, KH Synthesis and anti-tumor activity of imidazopyrazines as TAK1 inhibitors. Eur J Med Chem 163:660-670 (2019) [PubMed]  Article 
Target
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:
MAAQRRSLLQSEQQPSWTDDLPLCHLSGVGSASNRSYSADGKGTESHPPEDSWLKFRSENNCFLYGVFNGYDGNRVTNFVAQRLSAELLLGQLNAEHAEADVRRVLLQAFDVVERSFLESIDDALAEKASLQSQLPEGVPQHQLPPQYQKILERLKTLEREISGGAMAVVAVLLNNKLYVANVGTNRALLCKSTVDGLQVTQLNVDHTTENEDELFRLSQLGLDAGKIKQVGIICGQESTRRIGDYKVKYGYTDIDLLSAAKSKPIIAEPEIHGAQPLDGVTGFLVLMSEGLYKALEAAHGPGQANQEIAAMIDTEFAKQTSLDAVAQAVVDRVKRIHSDTFASGGERARFCPRHEDMTLLVRNFGYPLGEMSQPTPSPAPAAGGRVYPVSVPYSSAQSTSKTSVTLSLVMPSQGQMVNGAHSASTLDEATPTLTNQSPTLTLQSTNTHTQSSSSSSDGGLFRSRPAHSLPPGEDGRVEPYVDFAEFYRLWSVDHGEQSVVTAP
  
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:
MSTASAASSSSSSSAGEMIEAPSQVLNFEEIDYKEIEVEEVVGRGAFGVVCKAKWRAKDVAIKQIESESERKAFIVELRQLSRVNHPNIVKLYGACLNPVCLVMEYAEGGSLYNVLHGAEPLPYYTAAHAMSWCLQCSQGVAYLHSMQPKALIHRDLKPPNLLLVAGGTVLKICDFGTACDIQTHMTNNKGSAAWMAPEVFEGSNYSEKCDVFSWGIILWEVITRRKPFDEIGGPAFRIMWAVHNGTRPPLIKNLPKPIESLMTRCWSKDPSQRPSMEEIVKIMTHLMRYFPGADEPLQYPCQYSDEGQSNSATSTGSFMDIASTNTSNKSDTNMEQVPATNDTIKRLESKLLKNQAKQQSESGRLSLGASRGSSVESLPPTSEGKRMSADMSEIEARIAATTAYSKPKRGHRKTASFGNILDVPEIVISGNGQPRRRSIQDLTVTGTEPGQVSSRSSSPSVRMITTSGPTSEKPTRSHPWTPDDSTDTNGSDNSIPMAYLTLDHQLQPLAPCPNSKESMAVFEQHCKMAQEYMKVQTEIALLLQRKQELVAELDQDEKDQQNTSRLVQEHKKLLDENKSLSTYYQQCKKQLEVIRSQQQKRQGTS
  
Inhibitor
Name:
BDBM50529792
Synonyms:
CHEMBL4535889
Type:
Small organic molecule
Emp. Form.:
C31H31N9O
Mol. Mass.:
545.6375
SMILES:
Cc1cc(NC(=O)Nc2cc(nn2-c2cccc(c2)C#N)C(C)(C)C)ccc1-c1cnc(NC2CC2)c2nccn12
Structure:
Search PDB for entries with ligand similarity: