Reaction Details |
| Report a problem with these data |
Target | Calmodulin-domain protein kinase 1 |
---|
Ligand | BDBM416557 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_1928610 (CHEMBL4431786) |
---|
IC50 | 3.3±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 Chem59:6531-46 (2016) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Calmodulin-domain protein kinase 1 |
---|
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: | MGQQESTLGGAAGEPRSRGHAAGTSGGPGDHLHATPGMFVQHSTAIFSDRYKGQRVLGKG
SFGEVILCKDKITGQECAVKVISKRQVKQKTDKESLLREVQLLKQLDHPNIMKLYEFFED
KGYFYLVGEVYTGGELFDEIISRKRFSEVDAARIIRQVLSGITYMHKNKIVHRDLKPENL
LLESKSKDANIRIIDFGLSTHFEASKKMKDKIGTAYYIAPEVLHGTYDEKCDVWSTGVIL
YILLSGCPPFNGANEYDILKKVEKGKYTFELPQWKKVSESAKDLIRKMLTYVPSMRISAR
DALDHEWIQTYTKEQISVDVPSLDNAILNIRQFQGTQKLAQAALLYMGSKLTSQDETKEL
TAIFHKMDKNGDGQLDRAELIEGYKELMRMKGQDASMLDASAVEHEVDQVLDAVDFDKNG
YIEYSEFVTVAMDRKTLLSRERLERAFRMFDSDNSGKISSTELATIFGVSDVDSETWKSV
LSEVDKNNDGEVDFDEFQQMLLKLCGN
|
|
|
BDBM416557 |
---|
n/a |
---|
Name | BDBM416557 |
Synonyms: | US10307425, Example 23 | US10632122, Example 23 |
Type | Small organic molecule |
Emp. Form. | C20H22N6O2 |
Mol. Mass. | 378.4277 |
SMILES | CCOc1ccc2cc(ccc2n1)-c1nn(CC(C)(C)O)c2ncnc(N)c12 |
Structure |
|