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Target
Serine/threonine-protein kinase TNNI3K
Ligand
BDBM50578209
Substrate
n/a
Meas. Tech.
ChEMBL_2132285 (CHEMBL4841800)
IC50
10.0±n/a nM
Citation
 Patterson, JR; Graves, AP; Stoy, P; Cheung, M; Desai, TA; Fries, H; Gatto, GJ; Holt, DA; Shewchuk, L; Totoritis, R; Wang, L; Kallander, LS Identification of Diarylurea Inhibitors of the Cardiac-Specific Kinase TNNI3K by Designing Selectivity Against VEGFR2, p38?, and B-Raf. J Med Chem 64:15651-15670 (2021) [PubMed]  Article
Target
Name:
Serine/threonine-protein kinase TNNI3K
Synonyms:
CARK | Serine/threonine-protein kinase TNNI3K | TNI3K_HUMAN | TNNI3K
Type:
Enzyme Catalytic Domain
Mol. Mass.:
92855.14
Organism:
Homo sapiens (Human)
Description:
gi_7705748
Residue:
835
Sequence:
MGNYKSRPTQTCTDEWKKKVSESYVITIERLEDDLQIKEKELTELRNIFGSDEAFSKVNLNYRTENGLSLLHLCCICGGKKSHIRTLMLKGLRPSRLTRNGFTALHLAVYKDNAELITSLLHSGADIQQVGYGGLTALHIATIAGHLEAADVLLQHGANVNIQDAVFFTPLHIAAYYGHEQVTRLLLKFGADVNVSGEVGDRPLHLASAKGFLNIAKLLMEEGSKADVNAQDNEDHVPLHFCSRFGHHDIVKYLLQSDLEVQPHVVNIYGDTPLHLACYNGKFEVAKEIIQISGTESLTKENIFSETAFHSACTYGKSIDLVKFLLDQNVININHQGRDGHTGLHSACYHGHIRLVQFLLDNGADMNLVACDPSRSSGEKDEQTCLMWAYEKGHDAIVTLLKHYKRPQDELPCNEYSQPGGDGSYVSVPSPLGKIKSMTKEKADILLLRAGLPSHFHLQLSEIEFHEIIGSGSFGKVYKGRCRNKIVAIKRYRANTYCSKSDVDMFCREVSILCQLNHPCVIQFVGACLNDPSQFAIVTQYISGGSLFSLLHEQKRILDLQSKLIIAVDVAKGMEYLHNLTQPIIHRDLNSHNILLYEDGHAVVADFGESRFLQSLDEDNMTKQPGNLRWMAPEVFTQCTRYTIKADVFSYALCLWEILTGEIPFAHLKPAAAAADMAYHHIRPPIGYSIPKPISSLLIRGWNACPEGRPEFSEVVMKLEECLCNIELMSPASSNSSGSLSPSSSSDCLVNRGGPGRSHVAALRSRFELEYALNARSYAALSQSAGQYSSQGLSLEEMKRSLQYTPIDKYGYVSDPMSSMHFHSCRNSSSFEDSS
  
Inhibitor
Name:
BDBM50578209
Synonyms:
CHEMBL4867760
Type:
Small organic molecule
Emp. Form.:
C29H27F3N6O2
Mol. Mass.:
548.5589
SMILES:
FC(F)(F)c1cccc(NC(=O)Nc2ccc(Oc3cc(Nc4cccc(CN5CCCC5)c4)ncn3)cc2)c1
Structure:
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