Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase TNNI3K
Ligand
BDBM50118396
Substrate
n/a
Meas. Tech.
ChEMBL_1619734 (CHEMBL3861903)
IC50
80±n/a nM
Citation
 Lawhorn, BG; Philp, J; Graves, AP; Holt, DA; Gatto, GJ; Kallander, LS Substituent Effects on Drug-Receptor H-bond Interactions: Correlations Useful for the Design of Kinase Inhibitors. J Med Chem 59:10629-10641 (2016) [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:
BDBM50118396
Synonyms:
CHEMBL3612647
Type:
Small organic molecule
Emp. Form.:
C13H13N5O2S
Mol. Mass.:
303.34
SMILES:
CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]ccc23)c1
Structure:
Search PDB for entries with ligand similarity: