Reaction Details Report a problem with these data
Target
Casein kinase I isoform alpha
Ligand
BDBM625243
Substrate
n/a
Meas. Tech.
CSNK1A1 1uM ATP Assay
IC50
1.70±n/a nM
Citation
 Schulze, V; Mengel, A; Faria Alvares De Lemos, AC; Rauh, U; Bömer, U; Hillig, R; Lechner, C; Mortier, JX; Kaulfuss, S; Corsello, S; Handing, K; Madec, A; Furst, L; Shekhar, M; McKinney, D ARYL SUBSTITUTED PYRROLO-PYRIDINONES AND THERAPEUTIC USES THEREOF US Patent  US20230322767 Publication Date 10/12/2023 
Target
Name:
Casein kinase I isoform alpha
Synonyms:
CK1 | CKI-alpha | CSNK1A1 | Casein Kinase I | Casein kinase 1 alpha (CK1 alpha) | Casein kinase I isoform alpha/delta | KC1A_HUMAN
Type:
Serine/threonine-protein kinase
Mol. Mass.:
38936.59
Organism:
Homo sapiens (Human)
Description:
P48729
Residue:
337
Sequence:
MASSSGSKAEFIVGGKYKLVRKIGSGSFGDIYLAINITNGEEVAVKLESQKARHPQLLYESKLYKILQGGVGIPHIRWYGQEKDYNVLVMDLLGPSLEDLFNFCSRRFTMKTVLMLADQMISRIEYVHTKNFIHRDIKPDNFLMGIGRHCNKLFLIDFGLAKKYRDNRTRQHIPYREDKNLTGTARYASINAHLGIEQSRRDDMESLGYVLMYFNRTSLPWQGLKAATKKQKYEKISEKKMSTPVEVLCKGFPAEFAMYLNYCRGLRFEEAPDYMYLRQLFRILFRTLNHQYDYTFDWTMLKQKAAQQAASSSGQGQQAQTPTGKQTDKTKSNMKGF
  
Inhibitor
Name:
BDBM625243
Synonyms:
N-{4-[3-(2,4-difluorophenyl)-5-methyl-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}-2-(4-fluorophenyl)propanamide (Racemate) | US20230322767, Example 69 | US20230322767, Example 70 | US20230322767, Example 71
Type:
Small organic molecule
Emp. Form.:
C28H23F3N4O2
Mol. Mass.:
504.503
SMILES:
CC(C(=O)Nc1cc(ccn1)-c1[nH]c2CCN(C)C(=O)c2c1-c1ccc(F)cc1F)c1ccc(F)cc1 |(2.8,-6.22,;3.57,-4.89,;2.8,-3.55,;3.57,-2.22,;1.26,-3.55,;.49,-2.22,;-1.05,-2.22,;-1.82,-.88,;-1.05,.45,;.49,.45,;1.26,-.88,;-3.36,-.88,;-4.26,-2.13,;-5.73,-1.65,;-7.06,-2.42,;-8.4,-1.65,;-8.4,-.11,;-9.73,.66,;-7.06,.66,;-7.06,2.2,;-5.73,-.11,;-4.26,.36,;-3.79,1.83,;-4.82,2.97,;-4.34,4.43,;-2.84,4.75,;-2.36,6.22,;-1.81,3.61,;-2.28,2.15,;-1.25,1,;5.11,-4.89,;5.88,-6.22,;7.42,-6.22,;8.19,-4.89,;9.73,-4.89,;7.42,-3.55,;5.88,-3.55,)|
Structure:
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