Reaction Details Report a problem with these data
Target
Calmodulin-domain protein kinase 1
Ligand
BDBM50148725
Substrate
n/a
Meas. Tech.
ChEMBL_1557115 (CHEMBL3773067)
IC50
247±n/a nM
Citation
 Huang, W; Ojo, KK; Zhang, Z; Rivas, K; Vidadala, RS; Scheele, S; DeRocher, AE; Choi, R; Hulverson, MA; Barrett, LK; Bruzual, I; Siddaramaiah, LK; Kerchner, KM; Kurnick, MD; Freiberg, GM; Kempf, D; Hol, WG; Merritt, EA; Neckermann, G; de Hostos, EL; Isoherranen, N; Maly, DJ; Parsons, M; Doggett, JS; Van Voorhis, WC; Fan, E SAR Studies of 5-Aminopyrazole-4-carboxamide Analogues as Potent and Selective Inhibitors of Toxoplasma gondii CDPK1. ACS Med Chem Lett 6:1184-1189 (2015) [PubMed]  Article 
Target
Name:
Calmodulin-domain protein kinase 1
Synonyms:
Calmodulin-domain protein kinase 1 | Calmodulin-domain protein kinase 1 (CDPK1) | Calmodulin-domain protein kinase, putative
Type:
Enzyme Catalytic Domain
Mol. Mass.:
57248.42
Organism:
Toxoplasma gondii
Description:
n/a
Residue:
507
Sequence:
MGQQESTLGGAAGEPRSRGHAAGTSGGPGDHLHATPGMFVQHSTAIFSDRYKGQRVLGKGSFGEVILCKDKITGQECAVKVISKRQVKQKTDKESLLREVQLLKQLDHPNIMKLYEFFEDKGYFYLVGEVYTGGELFDEIISRKRFSEVDAARIIRQVLSGITYMHKNKIVHRDLKPENLLLESKSKDANIRIIDFGLSTHFEASKKMKDKIGTAYYIAPEVLHGTYDEKCDVWSTGVILYILLSGCPPFNGANEYDILKKVEKGKYTFELPQWKKVSESAKDLIRKMLTYVPSMRISARDALDHEWIQTYTKEQISVDVPSLDNAILNIRQFQGTQKLAQAALLYMGSKLTSQDETKELTAIFHKMDKNGDGQLDRAELIEGYKELMRMKGQDASMLDASAVEHEVDQVLDAVDFDKNGYIEYSEFVTVAMDRKTLLSRERLERAFRMFDSDNSGKISSTELATIFGVSDVDSETWKSVLSEVDKNNDGEVDFDEFQQMLLKLCGN
  
Inhibitor
Name:
BDBM50148725
Synonyms:
CHEMBL3769980 | US9518026, Example 62 | US9956214, Compound 1555
Type:
Small organic molecule
Emp. Form.:
C18H18F3N5O
Mol. Mass.:
377.3636
SMILES:
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(ccc2c1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: