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Target
Cyclin-dependent kinase 9
Ligand
BDBM307916
Substrate
n/a
Meas. Tech.
TR-FRET Kinase Assay
IC50
14.0±n/a nM
Citation
 Mastracchio, A; Bruncko, M; Lai, C; Miyashiro, JM; Tao, Z; Woods, KW; Penning, TD; Souers, AJ Pyridine CDK9 kinase inhibitors US Patent  US9650358 Publication Date 5/16/2017 
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:
BDBM307916
Synonyms:
(2s,4r)-tert-butyl 2-(5-chloro-4-(1-(3-fluorobenzyl)-1H-benzo[d]imidazol-6-yl)pyridin-2-ylamino)-6-azaspiro[3.4]octane-6-carboxylate | US9650358, Example 212
Type:
Small organic molecule
Emp. Form.:
C31H33ClFN5O2
Mol. Mass.:
562.077
SMILES:
CC(C)(C)OC(=O)N1CCC2(CC(C2)Nc2cc(c(Cl)cn2)-c2ccc3ncn(Cc4cccc(F)c4)c3c2)C1 |(17.22,16.33,;16.6,14.92,;15.19,15.54,;18,14.29,;15.97,13.51,;14.44,13.35,;13.53,14.6,;13.81,11.94,;14.58,10.61,;13.55,9.47,;12.14,10.09,;10.66,10.49,;10.26,9,;11.75,8.6,;8.92,8.23,;8.92,6.69,;7.59,5.92,;7.59,4.38,;8.92,3.61,;8.92,2.07,;10.26,4.38,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;2.68,6.7,;4.19,6.38,;5.22,7.52,;4.74,8.99,;3.23,9.31,;2.76,10.77,;2.2,8.16,;3.59,3.61,;4.92,4.38,;12.31,11.62,)|
Structure:
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