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Target
Cyclin-dependent kinase 9
Ligand
BDBM454544
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:
BDBM454544
Synonyms:
US10717746, Example 27
Type:
Small organic molecule
Emp. Form.:
C18H21ClN4O2
Mol. Mass.:
360.838
SMILES:
CC1(C)Cc2c(cnn2C1)-c1cc(NC(=O)[C@@H]2C[C@H](O)C2)ncc1Cl |r,wD:16.17,18.20,(1.65,4.74,;.32,3.97,;1.65,3.2,;-.16,2.51,;-1.7,2.51,;-2.94,1.6,;-4.19,2.51,;-3.71,3.97,;-2.17,3.97,;-.93,4.88,;-2.94,.06,;-1.61,-.71,;-1.61,-2.25,;-.28,-3.02,;1.06,-2.25,;1.06,-.71,;2.39,-3.02,;3.88,-2.62,;4.28,-4.11,;5.61,-4.88,;2.79,-4.51,;-2.94,-3.02,;-4.28,-2.25,;-4.28,-.71,;-5.61,.06,)|
Structure:
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