Reaction Details  Report a problem with these data
Target
Cyclin-dependent kinase 1
Ligand
BDBM601954
Substrate
n/a
Meas. Tech.
CDK Inhibition In Vitro Assay
IC50
42.0±n/a nM
Citation
 Strum, JC Substituted 1′,2′-dihydro-3′H-spiro[cyclohexane-1,4′-pyrimido[5′,4′:4,5]pyrrolo[2,1-c][1,2,4]triazin]-3′-ones as cyclin-dependent kinase inhibitors US Patent  US11643416 Publication Date 5/9/2023
Target
Name:
Cyclin-dependent kinase 1
Synonyms:
CDC2 | CDC28A | CDK1 | CDK1_HUMAN | CDKN1 | Cell division control protein 2 homolog | Cell division protein kinase 1 | Cyclin-dependent kinase 1 (CDK1) | P34CDC2 | p34 protein kinase
Type:
Enzyme Subunit
Mol. Mass.:
34101.08
Organism:
Homo sapiens (Human)
Description:
P06493
Residue:
297
Sequence:
MEDYTKIEKIGEGTYGVVYKGRHKTTGQVVAMKKIRLESEEEGVPSTAIREISLLKELRHPNIVSLQDVLMQDSRLYLIFEFLSMDLKKYLDSIPPGQYMDSSLVKSYLYQILQGIVFCHSRRVLHRDLKPQNLLIDDKGTIKLADFGLARAFGIPIRVYTHEVVTLWYRSPEVLLGSARYSTPVDIWSIGTIFAELATKKPLFHGDSEIDQLFRIFRALGTPNNEVWPEVESLQDYKNTFPKWKPGSLASHVKNLDENGLDLLSKMLIYDPAKRISGKMALNHPYFNDLDNQIKKM
  
Inhibitor
Name:
BDBM601954
Synonyms:
8'-methyl-2'-((4-((4-methylpiperazin- 1-yl)sulfonyl)phenyl)amino)-6'H- spiro[cyclohexane-1,9'-pyrrolo[1,5- a:2,3-d']dipyrimidin]-7'(8'H)-one | US11643416, Compound 59
Type:
Small organic molecule
Emp. Form.:
C26H33N7O3S
Mol. Mass.:
523.65
SMILES:
CC1C(=O)Nc2cc3cnc(Nc4ccc(cc4)S(=O)(=O)N4CCN(C)CC4)nc3n2C11CCCCC1
Structure:
Search PDB for entries with ligand similarity: