Reaction Details Report a problem with these data
Target
Uncharacterized protein
Ligand
BDBM286300
Substrate
n/a
Meas. Tech.
Luminescent Kinase Assay
IC50
3.00±n/a nM
Citation
 Fan, E; Van Voorhis, WC; Zhang, Z; Huang, W; Ojo, KK 5-aminopyrazole-4-carboxamide inhibitors of CDPK1 from T. gondii and C. parvum US Patent  US9518026 Publication Date 12/13/2016 
Target
Name:
Uncharacterized protein
Synonyms:
Calmodulin-domain protein kinase (CDPK1)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
60946.72
Organism:
Cryptosporidium parvum
Description:
n/a
Residue:
538
Sequence:
MGNTAVGNTGTRLRAPVDAVVNTTNKKAPVSEKPSQPQIPNKTSDVKKGGTMGGERGSVTTGMFVQSGSGTFAERYNIVCMLGKGSFGEVLKCKDRITQQEYAVKVINKASAKNKDTSTILREVELLKKLDHPNIMKLFEILEDSSSFYIVGELYTGGELFDEIIKRKRFSEHDAARIIKQVFSGITYMHKHNIVHRDLKPENILLESKEKDCDIKIIDFGLSTCFQQNTKMKDRIGTAYYIAPEVLRGTYDEKCDVWSAGVILYILLSGTPPFYGKNEYDILKRVETGKYAFDLPQWRTISDDAKDLIRKMLTFHPSLRITATQCLEHPWIQKYSSETPTISDLPSLESAMTNIRQFQAEKKLAQAALLYMASKLTTLDETKQLTEIFRKLDTNNDGMLDRDELVRGYHEFMRLKGVDSNSLIQNEGSTIEDQIDSLMPLLDMDGSGSIEYSEFIASAIDRTILLSRERMERAFKMFDKDGSGKISTKELFKLFSQADSSIQMEELESIIEQVDNNKDGEVDFNEFVEMLQNFVRNE
  
Inhibitor
Name:
BDBM286300
Synonyms:
5-amino-3-(7-ethoxyquinolin-3- yl)-1-(3-hydroxy-3-methylbutan- 2-yl)-1H-pyrazole-4-carboxamide 1H NMR (500 MHz, MeOD) $#948; 9.31 (s, 1H), 9.26 (s, 1H), 8.30 (d, J = 9.2 Hz, 1H), 7.62 (d, J = 9.2 Hz, 1H), 7.54 (s, 1H), 4.38 (q, J = 7.0 Hz, 2H), 4.36-4.29 (m, 1H), 1.59-1.53 (m, 6H), 1.30 (s, 3H), 1.26 (s, 3H), MS (ESI) (M + H)+ = 384.6 | US9518026, Example 93 | US9956214, Compound 1626
Type:
Small organic molecule
Emp. Form.:
C20H25N5O3
Mol. Mass.:
383.4442
SMILES:
CCOc1ccc2cc(cnc2c1)-c1nn(C(C)C(C)(C)O)c(N)c1C(N)=O
Structure:
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