Reaction Details Report a problem with these data
Target
Cyclin-dependent kinase 9
Ligand
BDBM50583764
Substrate
n/a
Meas. Tech.
ChEMBL_2158057 (CHEMBL5042807)
IC50
467±n/a nM
Citation
 Weber, C; Sipos, M; Paczal, A; Balint, B; Kun, V; Foloppe, N; Dokurno, P; Massey, AJ; Walmsley, DL; Hubbard, RE; Murray, J; Benwell, K; Edmonds, T; Demarles, D; Bruno, A; Burbridge, M; Cruzalegui, F; Kotschy, A Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J Med Chem 64:6745-6764 (2021) [PubMed]  Article 
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:
BDBM50583764
Synonyms:
CHEMBL5084166
Type:
Small organic molecule
Emp. Form.:
C20H20BrN7O
Mol. Mass.:
454.323
SMILES:
C[C@H](Cn1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1)Oc1cccc(Br)n1 |r|
Structure:
Search PDB for entries with ligand similarity: