| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Calmodulin-domain protein kinase 1 |
|---|
| Ligand | BDBM416559 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1928610 (CHEMBL4431786) |
|---|
| IC50 | 2.0±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
|
|
|
|---|
| BDBM416559 |
|---|
| n/a |
|---|
| Name | BDBM416559 |
|---|
| Synonyms: | US10307425, Example 25 | US10632122, Example 25 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C21H22N6O2 |
|---|
| Mol. Mass. | 390.4384 |
|---|
| SMILES | CC(C)(O)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc12 |
|---|
| Structure | 
|
|---|
Search and Browse
