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Target
Cyclin-dependent kinase 9
Ligand
BDBM307930
Substrate
n/a
Meas. Tech.
TR-FRET Kinase Assay
IC50
37.0±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:
BDBM307930
Synonyms:
trans-N-{5-chloro-4-[1-(3-fluorobenzyl)-1H-benzimidazol-6-yl]pyridin-2-yl}-N′-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine | US9650358, Example 226
Type:
Small organic molecule
Emp. Form.:
C31H30ClFN6
Mol. Mass.:
541.062
SMILES:
Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(N[C@H]3CC[C@@H](CC3)NCc3cccnc3)ncc2Cl)c1 |r,wU:23.28,wD:20.21,(2.76,10.77,;3.23,9.31,;4.74,8.99,;5.22,7.52,;4.19,6.38,;2.68,6.7,;1.65,5.55,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,;4.92,1.3,;6.26,2.07,;6.26,3.61,;4.92,4.38,;3.59,3.61,;7.59,4.38,;7.59,5.92,;8.92,6.69,;8.92,8.23,;10.26,9,;11.59,8.23,;12.93,9,;12.93,10.54,;11.59,11.31,;10.26,10.54,;14.26,11.31,;15.59,10.54,;16.93,11.31,;18.26,10.54,;19.59,11.31,;19.59,12.85,;18.26,13.62,;16.93,12.85,;10.26,5.92,;10.26,4.38,;8.92,3.61,;8.92,2.07,;2.2,8.16,)|
Structure:
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