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Target
Calmodulin-domain protein kinase 1
Ligand
BDBM50389704
Substrate
n/a
Meas. Tech.
ChEMBL_1928610 (CHEMBL4431786)
IC50
2.9±n/a nM
Citation
 Vidadala, RS; Rivas, KL; Ojo, KK; Hulverson, MA; Zambriski, JA; Bruzual, I; Schultz, TL; Huang, W; Zhang, Z; Scheele, S; DeRocher, AE; Choi, R; Barrett, LK; Siddaramaiah, LK; Hol, WG; Fan, E; Merritt, EA; Parsons, M; Freiberg, G; Marsh, K; Kempf, DJ; Carruthers, VB; Isoherranen, N; Doggett, JS; Van Voorhis, WC; Maly, DJ Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis. J Med Chem 59:6531-46 (2016) [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:
BDBM50389704
Synonyms:
CHEMBL2070081 | US10544104, Compound 150 | US9518026, Example 9 | US9765037, Compound 150 | US9956214, Compound 9
Type:
Small organic molecule
Emp. Form.:
C24H28N6O
Mol. Mass.:
416.5187
SMILES:
CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12
Structure:
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