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Target
Cyclin-K
Ligand
BDBM50466217
Substrate
n/a
Meas. Tech.
ChEMBL_1792118 (CHEMBL4264037)
IC50
2.0±n/a nM
Citation
 Wang, B; Wu, J; Wu, Y; Chen, C; Zou, F; Wang, A; Wu, H; Hu, Z; Jiang, Z; Liu, Q; Wang, W; Zhang, Y; Liu, F; Zhao, M; Hu, J; Huang, T; Ge, J; Wang, L; Ren, T; Wang, Y; Liu, J; Liu, Q Discovery of 4-(((4-(5-chloro-2-(((1s,4s)-4-((2-methoxyethyl)amino)cyclohexyl)amino)pyridin-4-yl)thiazol-2-yl)amino)methyl)tetrahydro-2H-pyran-4-carbonitrile (JSH-150) as a novel highly selective and potent CDK9 kinase inhibitor. Eur J Med Chem 158:896-916 (2018) [PubMed]  Article 
Target
Name:
Cyclin-K
Synonyms:
CCNK | CCNK_HUMAN | CPR4
Type:
PROTEIN
Mol. Mass.:
64254.10
Organism:
Homo sapiens (Human)
Description:
ChEMBL_107901
Residue:
580
Sequence:
MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQPKKPSPQPSSPRQVKRAVVVSPKEENKAAEPPPPKIPKIETTHPPLPPAHPPPDRKPPLAAALGEAEPPGPVDATDLPKVQIPPPAHPAPVHQPPPLPHRPPPPPPSSYMTGMSTTSSYMSGEGYQSLQSMMKTEGPSYGALPPAYGPPAHLPYHPHVYPPNPPPPPVPPPPASFPPPAIPPPTPGYPPPPPTYNPNFPPPPPRLPPTHAVPPHPPPGLGLPPASYPPPAVPPGGQPPVPPPIPPPGMPPVGGLGRAAWMR
  
Inhibitor
Name:
BDBM50466217
Synonyms:
CHEMBL4287416
Type:
Small organic molecule
Emp. Form.:
C24H29ClFN5OS
Mol. Mass.:
490.036
SMILES:
COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCc3ccc(F)cc3)n2)c(Cl)cn1 |r,wU:8.11,wD:5.4,(60.95,-27.74,;62.29,-26.97,;63.62,-27.74,;64.95,-26.97,;66.29,-27.74,;67.62,-26.97,;68.95,-27.74,;70.29,-26.97,;70.29,-25.43,;68.95,-24.66,;67.62,-25.43,;71.62,-24.66,;72.96,-25.43,;74.29,-24.66,;75.62,-25.43,;76.96,-24.66,;77.11,-23.12,;78.63,-22.81,;79.4,-24.14,;80.93,-24.13,;81.71,-25.46,;83.25,-25.46,;84.01,-26.79,;85.55,-26.79,;86.32,-25.45,;87.86,-25.45,;85.53,-24.12,;84,-24.13,;78.36,-25.28,;75.62,-26.97,;76.96,-27.74,;74.29,-27.74,;72.96,-26.97,)|
Structure:
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