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Target
Cyclin-dependent kinase 9
Ligand
BDBM307935
Substrate
n/a
Meas. Tech.
TR-FRET Kinase Assay
IC50
36.0±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:
BDBM307935
Synonyms:
trans-N-{5-chloro-4-[1-(3-fluorobenzyl)-1H-benzimidazol-6-yl]pyridin-2-yl}-N′-[2-(morpholin-4-yl)ethyl]cyclohexane-1,4-diamine | US9650358, Example 231
Type:
Small organic molecule
Emp. Form.:
C31H36ClFN6O
Mol. Mass.:
563.109
SMILES:
Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(N[C@H]3CC[C@@H](CC3)NCCN3CCOCC3)ncc2Cl)c1 |r,wU:23.28,wD:20.21,(-3.42,3.9,;-2.39,5.05,;-2.87,6.51,;-1.84,7.66,;-.33,7.34,;.14,5.87,;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,;20.93,10.54,;20.93,9,;19.59,8.23,;18.26,9,;10.26,5.92,;10.26,4.38,;8.92,3.61,;8.92,2.07,;-.89,4.73,)|
Structure:
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