| Reaction Details |
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 | Report a problem with these data |
| Target | Calmodulin-domain protein kinase 1 |
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| Ligand | BDBM50534383 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1928610 (CHEMBL4431786) |
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| IC50 | 1.6±n/a nM |
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| 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 |
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| More Info.: | Get all data from this article, Assay Method |
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| Calmodulin-domain protein kinase 1 |
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| Name: | Calmodulin-domain protein kinase 1 |
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| Synonyms: | Calmodulin-domain protein kinase 1 | Calmodulin-domain protein kinase 1 (CDPK1) | Calmodulin-domain protein kinase, putative |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 57248.42 |
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| Organism: | Toxoplasma gondii |
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| Description: | n/a |
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| Residue: | 507 |
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| Sequence: | MGQQESTLGGAAGEPRSRGHAAGTSGGPGDHLHATPGMFVQHSTAIFSDRYKGQRVLGKG
SFGEVILCKDKITGQECAVKVISKRQVKQKTDKESLLREVQLLKQLDHPNIMKLYEFFED
KGYFYLVGEVYTGGELFDEIISRKRFSEVDAARIIRQVLSGITYMHKNKIVHRDLKPENL
LLESKSKDANIRIIDFGLSTHFEASKKMKDKIGTAYYIAPEVLHGTYDEKCDVWSTGVIL
YILLSGCPPFNGANEYDILKKVEKGKYTFELPQWKKVSESAKDLIRKMLTYVPSMRISAR
DALDHEWIQTYTKEQISVDVPSLDNAILNIRQFQGTQKLAQAALLYMGSKLTSQDETKEL
TAIFHKMDKNGDGQLDRAELIEGYKELMRMKGQDASMLDASAVEHEVDQVLDAVDFDKNG
YIEYSEFVTVAMDRKTLLSRERLERAFRMFDSDNSGKISSTELATIFGVSDVDSETWKSV
LSEVDKNNDGEVDFDEFQQMLLKLCGN
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| BDBM50534383 |
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| n/a |
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| Name | BDBM50534383 |
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| Synonyms: | CHEMBL4517731 |
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| Type | Small organic molecule |
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| Emp. Form. | C24H27N7O |
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| Mol. Mass. | 429.5175 |
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| SMILES | CN1CCC(Cn2nc(-c3ccc4nc(OC5CC5)ccc4c3)c3c(N)ncnc23)CC1 |
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| Structure | 
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