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Target
Cyclin-dependent kinase 9
Ligand
BDBM454521
Substrate
n/a
Meas. Tech.
Kinase Assay (ATP Concentration at Km)
IC50
3.00±n/a nM
Citation
 Barlaam, B; De Savi, C; Hawkins, J; Hird, A; Lamb, M; Pike, K; Vasbinder, M Chemical compounds US Patent  US10717746 Publication Date 7/21/2020 
Target
Name:
Cyclin-dependent kinase 9
Synonyms:
C-2K | CDC2L4 | CDK9 | CDK9_HUMAN | Cell division cycle 2-like protein kinase 4 | Cell division protein kinase 9 | Cyclin-Dependent Kinase 9 (CDK9) | Cyclin-dependent kinase 9 (CDK9) | Serine/threonine-protein kinase PITALRE | TAK | Tat-associated kinase complex catalytic subunit
Type:
Enzyme Subunit
Mol. Mass.:
42789.13
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
372
Sequence:
MAKQYDSVECPFCDEVSKYEKLAKIGQGTFGEVFKARHRKTGQKVALKKVLMENEKEGFPITALREIKILQLLKHENVVNLIEICRTKASPYNRCKGSIYLVFDFCEHDLAGLLSNVLVKFTLSEIKRVMQMLLNGLYYIHRNKILHRDMKAANVLITRDGVLKLADFGLARAFSLAKNSQPNRYTNRVVTLWYRPPELLLGERDYGPPIDLWGAGCIMAEMWTRSPIMQGNTEQHQLALISQLCGSITPEVWPNVDNYELYEKLELVKGQKRKVKDRLKAYVRDPYALDLIDKLLVLDPAQRIDSDDALNHDFFWSDPMPSDLKGMLSTHLTSMFEYLAPPRRKGSQITQQSTNQSRNPATTNQTEFERVF
  
Inhibitor
Name:
BDBM454521
Synonyms:
US10717746, Example 4
Type:
Small organic molecule
Emp. Form.:
C17H19ClN4O2
Mol. Mass.:
346.811
SMILES:
O[C@H]1C[C@H](C1)C(=O)Nc1cc(-c2cnn3CCCCc23)c(Cl)cn1 |r,wD:3.5,1.0,(5.61,-5,;4.28,-4.23,;3.88,-2.74,;2.39,-3.14,;2.79,-4.63,;1.06,-2.37,;1.06,-.83,;-.28,-3.14,;-1.61,-2.37,;-1.61,-.83,;-2.94,-.06,;-2.94,1.48,;-4.19,2.39,;-3.71,3.85,;-2.17,3.85,;-1.14,5,;.36,4.68,;.84,3.21,;-.19,2.07,;-1.7,2.39,;-4.28,-.83,;-5.61,-.06,;-4.28,-2.37,;-2.94,-3.14,)|
Structure:
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