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Target
Cyclin-K
Ligand
BDBM50466212
Substrate
n/a
Meas. Tech.
ChEMBL_1792118 (CHEMBL4264037)
IC50
28±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:
BDBM50466212
Synonyms:
CHEMBL4287488
Type:
Small organic molecule
Emp. Form.:
C23H33ClN4O3S
Mol. Mass.:
481.051
SMILES:
COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(OCC3CCOCC3)n2)c(Cl)cn1 |r,wU:8.11,wD:5.4,(1.15,-55.23,;2.49,-54.46,;3.81,-55.23,;5.15,-54.46,;6.48,-55.23,;7.81,-54.46,;9.14,-55.23,;10.48,-54.46,;10.48,-52.92,;9.14,-52.15,;7.81,-52.92,;11.8,-52.15,;13.14,-52.92,;14.47,-52.15,;15.8,-52.92,;17.13,-52.15,;17.29,-50.62,;18.8,-50.31,;19.57,-51.63,;21.1,-51.8,;22,-50.55,;23.53,-50.71,;24.15,-52.11,;25.69,-52.27,;26.59,-51.03,;25.96,-49.63,;24.44,-49.47,;18.54,-52.77,;15.8,-54.46,;17.13,-55.23,;14.47,-55.23,;13.14,-54.46,)|
Structure:
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