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Target
Cyclin-K
Ligand
BDBM50466238
Substrate
n/a
Meas. Tech.
ChEMBL_1792118 (CHEMBL4264037)
IC50
10.0±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:
BDBM50466238
Synonyms:
CHEMBL4277623
Type:
Small organic molecule
Emp. Form.:
C25H35ClN6O2S
Mol. Mass.:
519.102
SMILES:
COC[C@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3(CCOCC3)C#N)n2)c(Cl)cn1 |r,wU:9.12,wD:6.5,3.3,(3.1,-47.64,;4.44,-46.87,;5.77,-47.64,;7.11,-46.87,;7.11,-45.34,;8.45,-47.64,;9.77,-46.87,;11.11,-47.64,;12.44,-46.87,;12.44,-45.33,;11.11,-44.56,;9.77,-45.33,;13.77,-44.56,;15.11,-45.33,;16.45,-44.56,;17.78,-45.33,;19.11,-44.56,;19.27,-43.02,;20.78,-42.71,;21.55,-44.04,;23.08,-44.03,;23.86,-45.37,;25.4,-45.36,;26.16,-46.7,;27.7,-46.69,;28.47,-45.36,;27.7,-44.03,;26.15,-44.02,;24.62,-46.69,;23.84,-48.02,;20.51,-45.18,;17.78,-46.87,;19.11,-47.64,;16.45,-47.64,;15.11,-46.87,)|
Structure:
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